data_50014 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; ctSpp2(208-254) backbone assignment ; _BMRB_accession_number 50014 _BMRB_flat_file_name bmr50014.str _Entry_type original _Submission_date 2019-09-12 _Accession_date 2019-09-12 _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 Favretto Filippo . . 2 Zweckstetter Markus . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 spectral_peak_list 5 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 45 "13C chemical shifts" 130 "15N chemical shifts" 45 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-09-21 original BMRB . stop_ _Original_release_date 2019-09-12 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural analysis of the intrinsically disordered splicing factor Spp2 and its binding to the DEAH-box ATPase Prp2 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31974312 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hamann Florian . . 2 Schmitt Andreas . . 3 Favretto Filippo . . 4 Hofele Romina . . 5 Neumann Piotr . . 6 Xiang ShengQi . . 7 Urlaub Henning . . 8 Zweckstetter Markus . . 9 Ficner Ralf . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 117 _Journal_issue 6 _Journal_ISSN 1091-6490 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2948 _Page_last 2956 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name MS1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Molecule 1' $entity_1 stop_ _System_molecular_weight 5226.9257 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function ; The G-patch region of Spp2 binds to the DEAH-box ATPase Prp2, and both proteins together are essential for promoting the transition from the Bact to the catalytically active B* spliceosome. ; stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Molecule 1' _Molecular_mass 5226.9257 _Mol_thiol_state 'not present' loop_ _Biological_function ; The G-patch region of Spp2 binds to the DEAH-box ATPase Prp2, and both proteins together are essential for promoting the transition from the Bact to the catalytically active B* spliceosome ; stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 47 _Mol_residue_sequence ; GPMVDDFGENLLRSFGWDGK MRGKVKEVKRYANLAGLGAR NVKEAED ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 208 GLY 2 209 PRO 3 210 MET 4 211 VAL 5 212 ASP 6 213 ASP 7 214 PHE 8 215 GLY 9 216 GLU 10 217 ASN 11 218 LEU 12 219 LEU 13 220 ARG 14 221 SER 15 222 PHE 16 223 GLY 17 224 TRP 18 225 ASP 19 226 GLY 20 227 LYS 21 228 MET 22 229 ARG 23 230 GLY 24 231 LYS 25 232 VAL 26 233 LYS 27 234 GLU 28 235 VAL 29 236 LYS 30 237 ARG 31 238 TYR 32 239 ALA 33 240 ASN 34 241 LEU 35 242 ALA 36 243 GLY 37 244 LEU 38 245 GLY 39 246 ALA 40 247 ARG 41 248 ASN 42 249 VAL 43 250 LYS 44 251 GLU 45 252 ALA 46 253 GLU 47 254 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 . 209285 Eukaryota Fungi Chaetomium thermophilum stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . . . 'BL21 (DE3)' plasmid 'pASG-IBA 25' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'ctSpp2(208-254) was used at a concentration of 0.52mM' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling ctSpp2 0.52 mM '[15N 13C]' DTT 1 mM 'natural abundance' EDTA 5 mM 'natural abundance' HEPES 10 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' glycerol 0.5 '% w/v' 'natural abundance' 'sodium azide' 0.02 '% w/v' 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name 'CcpNmr Analysis' _Version 2.2 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'chemical shift assignments' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_software_2 _Saveframe_category software _Name DANGLE _Version 1.1 loop_ _Vendor _Address _Electronic_address 'University of Cambridge' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC/HMQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC/HMQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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' 0.2 . M pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC/HMQC' '3D HNCA' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'Molecule 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 209 2 PRO C C 176.649 0.05 1 2 209 2 PRO CA C 63.006 0.027 1 3 209 2 PRO CB C 32.356 0.059 1 4 210 3 MET H H 8.501 0.001 1 5 210 3 MET C C 176.077 0.05 1 6 210 3 MET CA C 55.601 0.008 1 7 210 3 MET CB C 32.890 0.026 1 8 210 3 MET N N 120.961 0.013 1 9 211 4 VAL H H 8.071 0.001 1 10 211 4 VAL C C 175.545 0.05 1 11 211 4 VAL CA C 62.004 0.027 1 12 211 4 VAL CB C 33.050 0.052 1 13 211 4 VAL N N 120.830 0.009 1 14 212 5 ASP H H 8.258 0.001 1 15 212 5 ASP C C 175.683 0.05 1 16 212 5 ASP CA C 54.110 0.028 1 17 212 5 ASP CB C 41.357 0.034 1 18 212 5 ASP N N 123.618 0.008 1 19 213 6 ASP H H 8.095 0.001 1 20 213 6 ASP C C 176.173 0.05 1 21 213 6 ASP CA C 54.354 0.023 1 22 213 6 ASP CB C 41.142 0.018 1 23 213 6 ASP N N 120.507 0.013 1 24 214 7 PHE H H 8.217 0.013 1 25 214 7 PHE C C 176.567 0.05 1 26 214 7 PHE CA C 58.171 0.017 1 27 214 7 PHE CB C 39.150 0.015 1 28 214 7 PHE N N 120.370 0.009 1 29 215 8 GLY H H 8.258 0.002 1 30 215 8 GLY C C 174.563 0.05 1 31 215 8 GLY CA C 45.698 0.011 1 32 215 8 GLY N N 109.398 0.036 1 33 216 9 GLU H H 8.280 0.001 1 34 216 9 GLU C C 176.715 0.05 1 35 216 9 GLU CA C 57.261 0.02 1 36 216 9 GLU CB C 30.068 0.013 1 37 216 9 GLU N N 120.967 0.013 1 38 217 10 ASN H H 8.406 0.002 1 39 217 10 ASN C C 175.745 0.05 1 40 217 10 ASN CA C 53.974 0.024 1 41 217 10 ASN CB C 38.437 0.016 1 42 217 10 ASN N N 118.684 0.011 1 43 218 11 LEU H H 8.018 0.001 1 44 218 11 LEU C C 177.667 0.05 1 45 218 11 LEU CA C 56.030 0.037 1 46 218 11 LEU CB C 42.092 0.021 1 47 218 11 LEU N N 122.103 0.009 1 48 219 12 LEU H H 7.957 0.001 1 49 219 12 LEU C C 177.700 0.05 1 50 219 12 LEU CA C 55.792 0.043 1 51 219 12 LEU CB C 41.852 0.031 1 52 219 12 LEU N N 120.881 0.006 1 53 220 13 ARG H H 7.957 0.001 1 54 220 13 ARG C C 176.463 0.05 1 55 220 13 ARG CA C 56.378 0.022 1 56 220 13 ARG CB C 30.525 0.024 1 57 220 13 ARG N N 120.261 0.016 1 58 221 14 SER H H 8.000 0.001 1 59 221 14 SER C C 174.214 0.05 1 60 221 14 SER CA C 58.572 0.009 1 61 221 14 SER CB C 63.739 0.016 1 62 221 14 SER N N 115.895 0.007 1 63 222 15 PHE H H 8.074 0.001 1 64 222 15 PHE C C 176.262 0.05 1 65 222 15 PHE CA C 58.084 0.044 1 66 222 15 PHE CB C 39.491 0.003 1 67 222 15 PHE N N 121.340 0.011 1 68 223 16 GLY H H 8.219 0.001 1 69 223 16 GLY C C 174.224 0.05 1 70 223 16 GLY CA C 45.323 0.032 1 71 223 16 GLY N N 109.875 0.008 1 72 224 17 TRP H H 7.993 0.002 1 73 224 17 TRP C C 176.016 0.05 1 74 224 17 TRP CA C 57.710 0.035 1 75 224 17 TRP CB C 29.385 0.027 1 76 224 17 TRP N N 121.227 0.007 1 77 225 18 ASP H H 8.065 0.001 1 78 225 18 ASP C C 176.631 0.05 1 79 225 18 ASP CA C 53.881 0.027 1 80 225 18 ASP CB C 40.766 0.011 1 81 225 18 ASP N N 122.255 0.005 1 82 226 19 GLY H H 7.395 0.002 1 83 226 19 GLY C C 174.423 0.05 1 84 226 19 GLY CA C 45.677 0.008 1 85 226 19 GLY N N 108.106 0.01 1 86 227 20 LYS H H 7.907 0.001 1 87 227 20 LYS C C 176.841 0.05 1 88 227 20 LYS CA C 56.618 0.01 1 89 227 20 LYS CB C 32.778 0.022 1 90 227 20 LYS N N 120.193 0.007 1 91 228 21 MET H H 8.279 0.001 1 92 228 21 MET C C 176.254 0.05 1 93 228 21 MET CA C 55.566 0.019 1 94 228 21 MET CB C 32.583 0.086 1 95 228 21 MET N N 120.322 0.009 1 96 229 22 ARG H H 8.202 0.002 1 97 229 22 ARG C C 176.671 0.05 1 98 229 22 ARG CA C 56.410 0.051 1 99 229 22 ARG CB C 30.655 0.027 1 100 229 22 ARG N N 122.103 0.015 1 101 230 23 GLY H H 8.286 0.002 1 102 230 23 GLY C C 173.823 0.05 1 103 230 23 GLY CA C 45.199 0.028 1 104 230 23 GLY N N 109.684 0.018 1 105 231 24 LYS H H 8.088 0.001 1 106 231 24 LYS C C 176.635 0.05 1 107 231 24 LYS CA C 56.235 0.032 1 108 231 24 LYS CB C 33.126 0.03 1 109 231 24 LYS N N 120.836 0.006 1 110 232 25 VAL H H 8.047 0.001 1 111 232 25 VAL C C 176.071 0.05 1 112 232 25 VAL CA C 62.470 0.02 1 113 232 25 VAL CB C 32.778 0.05 1 114 232 25 VAL N N 121.289 0.007 1 115 233 26 LYS H H 8.302 0.001 1 116 233 26 LYS C C 176.268 0.05 1 117 233 26 LYS CA C 56.453 0.023 1 118 233 26 LYS CB C 32.962 0.003 1 119 233 26 LYS N N 125.167 0.062 1 120 234 27 GLU H H 8.287 0.001 1 121 234 27 GLU C C 176.181 0.05 1 122 234 27 GLU CA C 56.397 0.048 1 123 234 27 GLU CB C 30.407 0.004 1 124 234 27 GLU N N 122.823 0.013 1 125 235 28 VAL H H 8.165 0.001 1 126 235 28 VAL C C 176.014 0.05 1 127 235 28 VAL CA C 62.513 0.006 1 128 235 28 VAL CB C 32.663 0.05 1 129 235 28 VAL N N 122.335 0.014 1 130 236 29 LYS H H 8.302 0.0 1 131 236 29 LYS CA C 56.393 0.037 1 132 236 29 LYS CB C 32.820 0.018 1 133 236 29 LYS N N 125.113 0.015 1 134 237 30 ARG H H 8.162 0.002 1 135 237 30 ARG C C 175.915 0.05 1 136 237 30 ARG CA C 56.190 0.077 1 137 237 30 ARG CB C 30.854 0.021 1 138 237 30 ARG N N 122.193 0.036 1 139 238 31 TYR H H 8.121 0.003 1 140 238 31 TYR C C 175.611 0.05 1 141 238 31 TYR CA C 57.720 0.033 1 142 238 31 TYR CB C 38.695 0.009 1 143 238 31 TYR N N 120.635 0.017 1 144 239 32 ALA H H 8.142 0.001 1 145 239 32 ALA C C 177.216 0.05 1 146 239 32 ALA CA C 52.719 0.025 1 147 239 32 ALA CB C 19.316 0.015 1 148 239 32 ALA N N 124.793 0.005 1 149 240 33 ASN H H 8.255 0.001 1 150 240 33 ASN C C 175.367 0.05 1 151 240 33 ASN CA C 53.267 0.047 1 152 240 33 ASN CB C 38.521 0.015 1 153 240 33 ASN N N 117.196 0.009 1 154 241 34 LEU H H 8.095 0.001 1 155 241 34 LEU C C 177.349 0.05 1 156 241 34 LEU CA C 55.458 0.023 1 157 241 34 LEU CB C 42.090 0.005 1 158 241 34 LEU N N 122.477 0.008 1 159 242 35 ALA H H 8.135 0.0 1 160 242 35 ALA C C 178.280 0.05 1 161 242 35 ALA CA C 52.914 0.031 1 162 242 35 ALA CB C 19.029 0.012 1 163 242 35 ALA N N 123.637 0.007 1 164 243 36 GLY H H 8.168 0.001 1 165 243 36 GLY C C 174.476 0.05 1 166 243 36 GLY CA C 45.380 0.014 1 167 243 36 GLY N N 107.531 0.006 1 168 244 37 LEU H H 7.988 0.001 1 169 244 37 LEU C C 178.091 0.05 1 170 244 37 LEU CA C 55.530 0.029 1 171 244 37 LEU CB C 42.245 0.021 1 172 244 37 LEU N N 121.381 0.03 1 173 245 38 GLY H H 8.358 0.002 1 174 245 38 GLY C C 173.922 0.05 1 175 245 38 GLY CA C 45.312 0.007 1 176 245 38 GLY N N 109.288 0.009 1 177 246 39 ALA H H 7.998 0.0 1 178 246 39 ALA C C 177.740 0.05 1 179 246 39 ALA CA C 52.485 0.022 1 180 246 39 ALA CB C 19.239 0.019 1 181 246 39 ALA N N 123.566 0.006 1 182 247 40 ARG H H 8.207 0.0 1 183 247 40 ARG C C 175.965 0.05 1 184 247 40 ARG CA C 56.100 0.022 1 185 247 40 ARG CB C 30.754 0.03 1 186 247 40 ARG N N 119.657 0.008 1 187 248 41 ASN H H 8.393 0.002 1 188 248 41 ASN C C 175.031 0.05 1 189 248 41 ASN CA C 53.208 0.015 1 190 248 41 ASN CB C 38.787 0.006 1 191 248 41 ASN N N 119.879 0.012 1 192 249 42 VAL H H 7.979 0.001 1 193 249 42 VAL C C 175.954 0.05 1 194 249 42 VAL CA C 62.437 0.034 1 195 249 42 VAL CB C 32.733 0.001 1 196 249 42 VAL N N 120.216 0.009 1 197 250 43 LYS H H 8.280 0.001 1 198 250 43 LYS C C 176.268 0.05 1 199 250 43 LYS CA C 56.434 0.067 1 200 250 43 LYS CB C 32.917 0.053 1 201 250 43 LYS N N 124.653 0.008 1 202 251 44 GLU H H 8.360 0.002 1 203 251 44 GLU C C 176.155 0.05 1 204 251 44 GLU CA C 56.633 0.016 1 205 251 44 GLU CB C 30.189 0.013 1 206 251 44 GLU N N 122.442 0.009 1 207 252 45 ALA H H 8.225 0.0 1 208 252 45 ALA C C 177.815 0.05 1 209 252 45 ALA CA C 52.526 0.037 1 210 252 45 ALA CB C 19.369 0.011 1 211 252 45 ALA N N 124.438 0.006 1 212 253 46 GLU H H 8.358 0.002 1 213 253 46 GLU C C 176.393 0.05 1 214 253 46 GLU CA C 56.580 0.033 1 215 253 46 GLU CB C 30.189 0.007 1 216 253 46 GLU N N 120.241 0.007 1 217 254 47 ASP H H 8.280 0.001 1 218 254 47 ASP CA C 54.405 0.027 1 219 254 47 ASP CB C 41.197 0.05 1 220 254 47 ASP N N 121.052 0.007 1 stop_ save_ save_spectral_peak_list_1 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label . _Number_of_spectral_dimensions . loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 N 15N stop_ _Sample_label $sample_1 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_1 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_1 >> _Spectral_peak_list.Entry_ID 50014 >> _Spectral_peak_list.ID 1 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Chem_shift_reference_ID . >> _Spectral_peak_list.Chem_shift_reference_label . >> _Spectral_peak_list.Experiment_ID 1 >> _Spectral_peak_list.Experiment_name . >> _Spectral_peak_list.Experiment_class . >> _Spectral_peak_list.Experiment_type . >> _Spectral_peak_list.Number_of_spectral_dimensions . >> _Spectral_peak_list.Chemical_shift_list . >> _Spectral_peak_list.Assigned_chem_shift_list_ID 1 >> _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 1H . folded 9124.08759124 Hz . . . . . . 50014 1 >> 2 . . N 15 15N . folded 2128.56210681 Hz . . . . . . 50014 1 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Restraint >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . . 50014 1 >> 2 1.0 . . 50014 1 >> 3 1.0 . . 50014 1 >> 4 1.0 . . 50014 1 >> 5 1.0 . . 50014 1 >> 6 1.0 . . 50014 1 >> 7 1.0 . . 50014 1 >> 8 1.0 . . 50014 1 >> 9 1.0 . . 50014 1 >> 10 1.0 . . 50014 1 >> 11 1.0 . . 50014 1 >> 12 1.0 . . 50014 1 >> 13 1.0 . . 50014 1 >> 14 1.0 . . 50014 1 >> 15 1.0 . . 50014 1 >> 16 1.0 . . 50014 1 >> 17 1.0 . . 50014 1 >> 18 1.0 . . 50014 1 >> 19 1.0 . . 50014 1 >> 20 1.0 . . 50014 1 >> 21 1.0 . . 50014 1 >> 22 1.0 . . 50014 1 >> 23 1.0 . . 50014 1 >> 24 1.0 . . 50014 1 >> 25 1.0 . . 50014 1 >> 26 1.0 . . 50014 1 >> 27 1.0 . . 50014 1 >> 28 1.0 . . 50014 1 >> 29 1.0 . . 50014 1 >> 30 1.0 . . 50014 1 >> 31 1.0 . . 50014 1 >> 32 1.0 . . 50014 1 >> 33 1.0 . . 50014 1 >> 34 1.0 . . 50014 1 >> 35 1.0 . . 50014 1 >> 36 1.0 . . 50014 1 >> 37 1.0 . . 50014 1 >> 38 1.0 . . 50014 1 >> 39 1.0 . . 50014 1 >> 40 1.0 . . 50014 1 >> 41 1.0 . . 50014 1 >> 42 1.0 . . 50014 1 >> 43 1.0 . . 50014 1 >> 44 1.0 . . 50014 1 >> 45 1.0 . . 50014 1 >> 46 1.0 . . 50014 1 >> 47 1.0 . . 50014 1 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 395644.0 . height 50014 1 >> 1 2984928.0 . volume 50014 1 >> 2 239395.0 . height 50014 1 >> 2 1524343.0 . volume 50014 1 >> 3 443364.0 . height 50014 1 >> 3 2875031.0 . volume 50014 1 >> 4 563400.0 . height 50014 1 >> 4 3251752.0 . volume 50014 1 >> 5 517425.0 . height 50014 1 >> 5 2968623.0 . volume 50014 1 >> 6 445427.0 . height 50014 1 >> 6 2575053.0 . volume 50014 1 >> 7 386261.0 . height 50014 1 >> 7 2281577.0 . volume 50014 1 >> 8 370860.0 . height 50014 1 >> 8 2225894.0 . volume 50014 1 >> 9 522256.0 . height 50014 1 >> 9 2891648.0 . volume 50014 1 >> 10 442099.0 . height 50014 1 >> 10 2831450.0 . volume 50014 1 >> 11 340412.0 . height 50014 1 >> 11 2220758.0 . volume 50014 1 >> 12 346584.0 . height 50014 1 >> 12 2296630.0 . volume 50014 1 >> 13 472607.0 . height 50014 1 >> 13 2746505.0 . volume 50014 1 >> 14 269115.0 . height 50014 1 >> 14 1840343.0 . volume 50014 1 >> 15 310056.0 . height 50014 1 >> 15 1909607.0 . volume 50014 1 >> 16 489143.0 . height 50014 1 >> 16 2916640.0 . volume 50014 1 >> 17 375549.0 . height 50014 1 >> 17 2397919.0 . volume 50014 1 >> 18 515547.0 . height 50014 1 >> 18 3103158.0 . volume 50014 1 >> 19 373189.0 . height 50014 1 >> 19 2664832.0 . volume 50014 1 >> 20 634353.0 . height 50014 1 >> 20 4369674.0 . volume 50014 1 >> 21 619304.0 . height 50014 1 >> 21 4628236.0 . volume 50014 1 >> 22 283758.0 . height 50014 1 >> 22 1831067.0 . volume 50014 1 >> 23 508438.0 . height 50014 1 >> 23 2932057.0 . volume 50014 1 >> 24 596297.0 . height 50014 1 >> 24 3569812.0 . volume 50014 1 >> 25 464677.0 . height 50014 1 >> 25 3360202.0 . volume 50014 1 >> 26 317346.0 . height 50014 1 >> 26 2156672.0 . volume 50014 1 >> 27 485015.0 . height 50014 1 >> 27 3233503.0 . volume 50014 1 >> 28 544220.0 . height 50014 1 >> 28 3665667.0 . volume 50014 1 >> 29 346861.0 . height 50014 1 >> 29 2115810.0 . volume 50014 1 >> 30 408700.0 . height 50014 1 >> 30 3004043.0 . volume 50014 1 >> 31 472524.0 . height 50014 1 >> 31 3016074.0 . volume 50014 1 >> 32 262260.0 . height 50014 1 >> 32 1791423.0 . volume 50014 1 >> 33 536134.0 . height 50014 1 >> 33 2985508.0 . volume 50014 1 >> 34 166731.0 . height 50014 1 >> 34 1096421.0 . volume 50014 1 >> 35 361265.0 . height 50014 1 >> 35 2076409.0 . volume 50014 1 >> 36 315727.0 . height 50014 1 >> 36 1968060.0 . volume 50014 1 >> 37 162785.0 . height 50014 1 >> 37 1057547.0 . volume 50014 1 >> 38 217692.0 . height 50014 1 >> 38 1390309.0 . volume 50014 1 >> 39 290492.0 . height 50014 1 >> 39 1734010.0 . volume 50014 1 >> 40 275220.0 . height 50014 1 >> 40 1759456.0 . volume 50014 1 >> 41 215784.0 . height 50014 1 >> 41 1369979.0 . volume 50014 1 >> 42 291106.0 . height 50014 1 >> 42 1860826.0 . volume 50014 1 >> 43 502919.0 . height 50014 1 >> 43 2843491.0 . volume 50014 1 >> 44 459236.0 . height 50014 1 >> 44 2683332.0 . volume 50014 1 >> 45 167165.0 . height 50014 1 >> 45 1108766.0 . volume 50014 1 >> 46 280988.0 . height 50014 1 >> 46 2304393.0 . volume 50014 1 >> 47 725432.0 . height 50014 1 >> 47 3672795.0 . volume 50014 1 >> >> stop_ >> >> loop_ >> _Peak_char.Peak_ID >> _Peak_char.Spectral_dim_ID >> _Peak_char.Chem_shift_val >> _Peak_char.Chem_shift_val_err >> _Peak_char.Line_width_val >> _Peak_char.Line_width_val_err >> _Peak_char.Phase_val >> _Peak_char.Phase_val_err >> _Peak_char.Decay_rate_val >> _Peak_char.Decay_rate_val_err >> _Peak_char.Coupling_pattern >> _Peak_char.Bounding_box_upper_val >> _Peak_char.Bounding_box_lower_val >> _Peak_char.Bounding_box_range_val >> _Peak_char.Details >> _Peak_char.Derivation_method_ID >> _Peak_char.Entry_ID >> _Peak_char.Spectral_peak_list_ID >> >> 1 1 8.302 . 21.85752900850 . . . . . . . . . . . 50014 1 >> 1 2 125.133 . 18.68605306720 . . . . . . . . . . . 50014 1 >> 2 1 8.142 . 23.71867860320 . . . . . . . . . . . 50014 1 >> 2 2 124.800 . 11.19907149370 . . . . . . . . . . . 50014 1 >> 3 1 8.280 . 18.76037159980 . . . . . . . . . . . 50014 1 >> 3 2 124.652 . 10.88487251940 . . . . . . . . . . . 50014 1 >> 4 1 8.226 . 19.77082260330 . . . . . . . . . . . 50014 1 >> 4 2 124.443 . 9.03596411996 . . . . . . . . . . . 50014 1 >> 5 1 8.258 . 19.91235644280 . . . . . . . . . . . 50014 1 >> 5 2 123.627 . 9.09324691296 . . . . . . . . . . . 50014 1 >> 6 1 8.136 . 20.83497760940 . . . . . . . . . . . 50014 1 >> 6 2 123.634 . 9.13137200553 . . . . . . . . . . . 50014 1 >> 7 1 7.998 . 21.80559247950 . . . . . . . . . . . 50014 1 >> 7 2 123.572 . 9.70001315330 . . . . . . . . . . . 50014 1 >> 8 1 8.286 . 20.12037447770 . . . . . . . . . . . 50014 1 >> 8 2 122.828 . 9.37648907324 . . . . . . . . . . . 50014 1 >> 9 1 8.358 . 20.95557368580 . . . . . . . . . . . 50014 1 >> 9 2 122.453 . 8.68338630879 . . . . . . . . . . . 50014 1 >> 10 1 8.166 . 22.94221389900 . . . . . . . . . . . 50014 1 >> 10 2 122.348 . 12.63818272510 . . . . . . . . . . . 50014 1 >> 11 1 8.096 . 23.02107040900 . . . . . . . . . . . 50014 1 >> 11 2 122.476 . 10.90948572400 . . . . . . . . . . . 50014 1 >> 12 1 8.066 . 22.17839342830 . . . . . . . . . . . 50014 1 >> 12 2 122.254 . 10.74715275910 . . . . . . . . . . . 50014 1 >> 13 1 8.019 . 20.92729410990 . . . . . . . . . . . 50014 1 >> 13 2 122.110 . 9.24143362884 . . . . . . . . . . . 50014 1 >> 14 1 8.161 . 48.77492676690 . . . . . . . . . . . 50014 1 >> 14 2 122.163 . 26.38173939040 . . . . . . . . . . . 50014 1 >> 15 1 8.204 . 28.97310539750 . . . . . . . . . . . 50014 1 >> 15 2 122.115 . 10.07238302580 . . . . . . . . . . . 50014 1 >> 16 1 7.988 . 20.57094426050 . . . . . . . . . . . 50014 1 >> 16 2 121.406 . 10.65967438530 . . . . . . . . . . . 50014 1 >> 17 1 7.992 . 21.34496169370 . . . . . . . . . . . 50014 1 >> 17 2 121.224 . 24.54976842800 . . . . . . . . . . . 50014 1 >> 18 1 8.050 . 29.24692783040 . . . . . . . . . . . 50014 1 >> 18 2 121.298 . 9.38797100628 . . . . . . . . . . . 50014 1 >> 19 1 8.071 . 35.88066375170 . . . . . . . . . . . 50014 1 >> 19 2 121.334 . 10.85607253270 . . . . . . . . . . . 50014 1 >> 20 1 8.280 . 20.78644006790 . . . . . . . . . . . 50014 1 >> 20 2 121.053 . 15.27509428590 . . . . . . . . . . . 50014 1 >> 21 1 8.279 . 20.97229670430 . . . . . . . . . . . 50014 1 >> 21 2 120.974 . 15.63534786440 . . . . . . . . . . . 50014 1 >> 22 1 8.501 . 22.11204519240 . . . . . . . . . . . 50014 1 >> 22 2 120.970 . 10.17369046820 . . . . . . . . . . . 50014 1 >> 23 1 7.957 . 19.78849733830 . . . . . . . . . . . 50014 1 >> 23 2 120.881 . 9.06121168542 . . . . . . . . . . . 50014 1 >> 24 1 8.073 . 27.48883553670 . . . . . . . . . . . 50014 1 >> 24 2 120.827 . 9.34952873324 . . . . . . . . . . . 50014 1 >> 25 1 8.087 . 31.78869068190 . . . . . . . . . . . 50014 1 >> 25 2 120.832 . 11.68879814030 . . . . . . . . . . . 50014 1 >> 26 1 8.123 . 25.55562740690 . . . . . . . . . . . 50014 1 >> 26 2 120.628 . 11.32568993760 . . . . . . . . . . . 50014 1 >> 27 1 8.096 . 22.30592343930 . . . . . . . . . . . 50014 1 >> 27 2 120.503 . 10.63709113580 . . . . . . . . . . . 50014 1 >> 28 1 7.975 . 32.37549188360 . . . . . . . . . . . 50014 1 >> 28 2 120.230 . 11.22197192370 . . . . . . . . . . . 50014 1 >> 29 1 7.906 . 22.69381589260 . . . . . . . . . . . 50014 1 >> 29 2 120.191 . 9.91747208398 . . . . . . . . . . . 50014 1 >> 30 1 7.960 . 30.83996529130 . . . . . . . . . . . 50014 1 >> 30 2 120.273 . 11.95028172040 . . . . . . . . . . . 50014 1 >> 31 1 8.213 . 20.45633040210 . . . . . . . . . . . 50014 1 >> 31 2 120.376 . 10.04466145270 . . . . . . . . . . . 50014 1 >> 32 1 8.278 . 23.20937431640 . . . . . . . . . . . 50014 1 >> 32 2 120.319 . 11.49468369230 . . . . . . . . . . . 50014 1 >> 33 1 8.357 . 20.94782399440 . . . . . . . . . . . 50014 1 >> 33 2 120.237 . 8.39621111066 . . . . . . . . . . . 50014 1 >> 34 1 8.392 . 24.67814479430 . . . . . . . . . . . 50014 1 >> 34 2 119.887 . 11.76117872380 . . . . . . . . . . . 50014 1 >> 35 1 8.207 . 22.37403914880 . . . . . . . . . . . 50014 1 >> 35 2 119.657 . 9.03038174367 . . . . . . . . . . . 50014 1 >> 36 1 8.405 . 22.51217400070 . . . . . . . . . . . 50014 1 >> 36 2 118.675 . 10.13797594720 . . . . . . . . . . . 50014 1 >> 37 1 8.255 . 26.59435798650 . . . . . . . . . . . 50014 1 >> 37 2 117.194 . 11.88602095700 . . . . . . . . . . . 50014 1 >> 38 1 8.001 . 24.72912960680 . . . . . . . . . . . 50014 1 >> 38 2 115.900 . 11.13772879060 . . . . . . . . . . . 50014 1 >> 39 1 7.394 . 24.53090065590 . . . . . . . . . . . 50014 1 >> 39 2 108.103 . 9.36951110289 . . . . . . . . . . . 50014 1 >> 40 1 8.168 . 24.24089904250 . . . . . . . . . . . 50014 1 >> 40 2 107.530 . 10.85416944990 . . . . . . . . . . . 50014 1 >> 41 1 8.218 . 25.88070657130 . . . . . . . . . . . 50014 1 >> 41 2 109.873 . 10.95160729050 . . . . . . . . . . . 50014 1 >> 42 1 8.356 . 24.04634099810 . . . . . . . . . . . 50014 1 >> 42 2 109.291 . 10.57441627480 . . . . . . . . . . . 50014 1 >> 44 1 8.256 . 21.23918520270 . . . . . . . . . . . 50014 1 >> 44 2 109.406 . 9.11766980920 . . . . . . . . . . . 50014 1 >> 45 1 8.285 . 24.26632346900 . . . . . . . . . . . 50014 1 >> 45 2 109.660 . 16.94504946380 . . . . . . . . . . . 50014 1 >> 46 1 8.303 . 23.00108436250 . . . . . . . . . . . 50014 1 >> 46 2 125.237 . 22.63311028000 . . . . . . . . . . . 50014 1 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Contribution_fractional_val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Ambiguity_code >> _Assigned_peak_chem_shift.Ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_ambiguity_code >> _Assigned_peak_chem_shift.Auth_ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 3 . . 8.302 . . 1 1 1 29 LYS H . . . . . . . . . . 252 . 50014 1 >> 1 2 3 . . 125.133 . . 1 1 1 29 LYS N . . . . . . . . . . 253 . 50014 1 >> 2 1 1 . . 8.142 . . 1 1 1 32 ALA H . . . . . . . . . . 5 . 50014 1 >> 2 2 1 . . 124.800 . . 1 1 1 32 ALA N . . . . . . . . . . 6 . 50014 1 >> 3 1 2 . . 8.280 . . 1 1 1 43 LYS H . . . . . . . . . . 194 . 50014 1 >> 3 2 2 . . 124.652 . . 1 1 1 43 LYS N . . . . . . . . . . 195 . 50014 1 >> 4 1 1 . . 8.226 . . 1 1 1 45 ALA H . . . . . . . . . . 11 . 50014 1 >> 4 2 1 . . 124.443 . . 1 1 1 45 ALA N . . . . . . . . . . 12 . 50014 1 >> 5 1 1 . . 8.258 . . 1 1 1 5 ASP H . . . . . . . . . . 15 . 50014 1 >> 5 2 1 . . 123.627 . . 1 1 1 5 ASP N . . . . . . . . . . 16 . 50014 1 >> 6 1 1 . . 8.136 . . 1 1 1 35 ALA H . . . . . . . . . . 20 . 50014 1 >> 6 2 1 . . 123.634 . . 1 1 1 35 ALA N . . . . . . . . . . 21 . 50014 1 >> 7 1 1 . . 7.998 . . 1 1 1 39 ALA H . . . . . . . . . . 24 . 50014 1 >> 7 2 1 . . 123.572 . . 1 1 1 39 ALA N . . . . . . . . . . 25 . 50014 1 >> 8 1 1 . . 8.286 . . 1 1 1 27 GLU H . . . . . . . . . . 27 . 50014 1 >> 8 2 1 . . 122.828 . . 1 1 1 27 GLU N . . . . . . . . . . 28 . 50014 1 >> 9 1 1 . . 8.358 . . 1 1 1 44 GLU H . . . . . . . . . . 31 . 50014 1 >> 9 2 1 . . 122.453 . . 1 1 1 44 GLU N . . . . . . . . . . 32 . 50014 1 >> 10 1 1 . . 8.166 . . 1 1 1 28 VAL H . . . . . . . . . . 35 . 50014 1 >> 10 2 1 . . 122.348 . . 1 1 1 28 VAL N . . . . . . . . . . 36 . 50014 1 >> 11 1 1 . . 8.096 . . 1 1 1 34 LEU H . . . . . . . . . . 39 . 50014 1 >> 11 2 1 . . 122.476 . . 1 1 1 34 LEU N . . . . . . . . . . 40 . 50014 1 >> 12 1 1 . . 8.066 . . 1 1 1 18 ASP H . . . . . . . . . . 43 . 50014 1 >> 12 2 1 . . 122.254 . . 1 1 1 18 ASP N . . . . . . . . . . 44 . 50014 1 >> 13 1 1 . . 8.019 . . 1 1 1 11 LEU H . . . . . . . . . . 47 . 50014 1 >> 13 2 1 . . 122.110 . . 1 1 1 11 LEU N . . . . . . . . . . 48 . 50014 1 >> 14 1 1 . . 8.161 . . 1 1 1 30 ARG H . . . . . . . . . . 51 . 50014 1 >> 14 2 1 . . 122.163 . . 1 1 1 30 ARG N . . . . . . . . . . 52 . 50014 1 >> 15 1 1 . . 8.204 . . 1 1 1 22 ARG H . . . . . . . . . . 57 . 50014 1 >> 15 2 1 . . 122.115 . . 1 1 1 22 ARG N . . . . . . . . . . 58 . 50014 1 >> 16 1 1 . . 7.988 . . 1 1 1 37 LEU H . . . . . . . . . . 70 . 50014 1 >> 16 2 1 . . 121.406 . . 1 1 1 37 LEU N . . . . . . . . . . 71 . 50014 1 >> 17 1 1 . . 7.992 . . 1 1 1 17 TRP H . . . . . . . . . . 72 . 50014 1 >> 17 2 1 . . 121.224 . . 1 1 1 17 TRP N . . . . . . . . . . 73 . 50014 1 >> 18 1 1 . . 8.050 . . 1 1 1 25 VAL H . . . . . . . . . . 76 . 50014 1 >> 18 2 1 . . 121.298 . . 1 1 1 25 VAL N . . . . . . . . . . 77 . 50014 1 >> 19 1 1 . . 8.071 . . 1 1 1 15 PHE H . . . . . . . . . . 80 . 50014 1 >> 19 2 1 . . 121.334 . . 1 1 1 15 PHE N . . . . . . . . . . 81 . 50014 1 >> 20 1 1 . . 8.280 . . 1 1 1 47 ASP H . . . . . . . . . . 85 . 50014 1 >> 20 2 1 . . 121.053 . . 1 1 1 47 ASP N . . . . . . . . . . 86 . 50014 1 >> 21 1 1 . . 8.279 . . 1 1 1 9 GLU H . . . . . . . . . . 83 . 50014 1 >> 21 2 1 . . 120.974 . . 1 1 1 9 GLU N . . . . . . . . . . 84 . 50014 1 >> 22 1 1 . . 8.501 . . 1 1 1 3 MET H . . . . . . . . . . 90 . 50014 1 >> 22 2 1 . . 120.970 . . 1 1 1 3 MET N . . . . . . . . . . 91 . 50014 1 >> 23 1 1 . . 7.957 . . 1 1 1 12 LEU H . . . . . . . . . . 97 . 50014 1 >> 23 2 1 . . 120.881 . . 1 1 1 12 LEU N . . . . . . . . . . 98 . 50014 1 >> 24 1 1 . . 8.073 . . 1 1 1 4 VAL H . . . . . . . . . . 101 . 50014 1 >> 24 2 1 . . 120.827 . . 1 1 1 4 VAL N . . . . . . . . . . 102 . 50014 1 >> 25 1 1 . . 8.087 . . 1 1 1 24 LYS H . . . . . . . . . . 106 . 50014 1 >> 25 2 1 . . 120.832 . . 1 1 1 24 LYS N . . . . . . . . . . 107 . 50014 1 >> 26 1 1 . . 8.123 . . 1 1 1 31 TYR H . . . . . . . . . . 109 . 50014 1 >> 26 2 1 . . 120.628 . . 1 1 1 31 TYR N . . . . . . . . . . 110 . 50014 1 >> 27 1 1 . . 8.096 . . 1 1 1 6 ASP H . . . . . . . . . . 113 . 50014 1 >> 27 2 1 . . 120.503 . . 1 1 1 6 ASP N . . . . . . . . . . 114 . 50014 1 >> 28 1 2 . . 7.975 . . 1 1 1 42 VAL H . . . . . . . . . . 200 . 50014 1 >> 28 2 2 . . 120.230 . . 1 1 1 42 VAL N . . . . . . . . . . 201 . 50014 1 >> 29 1 1 . . 7.906 . . 1 1 1 20 LYS H . . . . . . . . . . 117 . 50014 1 >> 29 2 1 . . 120.191 . . 1 1 1 20 LYS N . . . . . . . . . . 118 . 50014 1 >> 30 1 1 . . 7.960 . . 1 1 1 13 ARG H . . . . . . . . . . 120 . 50014 1 >> 30 2 1 . . 120.273 . . 1 1 1 13 ARG N . . . . . . . . . . 121 . 50014 1 >> 31 1 1 . . 8.213 . . 1 1 1 7 PHE H . . . . . . . . . . 127 . 50014 1 >> 31 2 1 . . 120.376 . . 1 1 1 7 PHE N . . . . . . . . . . 128 . 50014 1 >> 32 1 1 . . 8.278 . . 1 1 1 21 MET H . . . . . . . . . . 131 . 50014 1 >> 32 2 1 . . 120.319 . . 1 1 1 21 MET N . . . . . . . . . . 132 . 50014 1 >> 33 1 1 . . 8.357 . . 1 1 1 46 GLU H . . . . . . . . . . 135 . 50014 1 >> 33 2 1 . . 120.237 . . 1 1 1 46 GLU N . . . . . . . . . . 136 . 50014 1 >> 34 1 1 . . 8.392 . . 1 1 1 41 ASN H . . . . . . . . . . 138 . 50014 1 >> 34 2 1 . . 119.887 . . 1 1 1 41 ASN N . . . . . . . . . . 139 . 50014 1 >> 35 1 1 . . 8.207 . . 1 1 1 40 ARG H . . . . . . . . . . 143 . 50014 1 >> 35 2 1 . . 119.657 . . 1 1 1 40 ARG N . . . . . . . . . . 144 . 50014 1 >> 36 1 1 . . 8.405 . . 1 1 1 10 ASN H . . . . . . . . . . 147 . 50014 1 >> 36 2 1 . . 118.675 . . 1 1 1 10 ASN N . . . . . . . . . . 148 . 50014 1 >> 37 1 1 . . 8.255 . . 1 1 1 33 ASN H . . . . . . . . . . 151 . 50014 1 >> 37 2 1 . . 117.194 . . 1 1 1 33 ASN N . . . . . . . . . . 152 . 50014 1 >> 38 1 1 . . 8.001 . . 1 1 1 14 SER H . . . . . . . . . . 155 . 50014 1 >> 38 2 1 . . 115.900 . . 1 1 1 14 SER N . . . . . . . . . . 156 . 50014 1 >> 39 1 1 . . 7.394 . . 1 1 1 19 GLY H . . . . . . . . . . 159 . 50014 1 >> 39 2 1 . . 108.103 . . 1 1 1 19 GLY N . . . . . . . . . . 160 . 50014 1 >> 40 1 1 . . 8.168 . . 1 1 1 36 GLY H . . . . . . . . . . 163 . 50014 1 >> 40 2 1 . . 107.530 . . 1 1 1 36 GLY N . . . . . . . . . . 164 . 50014 1 >> 41 1 1 . . 8.218 . . 1 1 1 16 GLY H . . . . . . . . . . 173 . 50014 1 >> 41 2 1 . . 109.873 . . 1 1 1 16 GLY N . . . . . . . . . . 174 . 50014 1 >> 42 1 1 . . 8.356 . . 1 1 1 38 GLY H . . . . . . . . . . 167 . 50014 1 >> 42 2 1 . . 109.291 . . 1 1 1 38 GLY N . . . . . . . . . . 168 . 50014 1 >> 44 1 1 . . 8.256 . . 1 1 1 8 GLY H . . . . . . . . . . 169 . 50014 1 >> 44 2 1 . . 109.406 . . 1 1 1 8 GLY N . . . . . . . . . . 170 . 50014 1 >> 45 1 1 . . 8.285 . . 1 1 1 23 GLY H . . . . . . . . . . 181 . 50014 1 >> 45 2 1 . . 109.660 . . 1 1 1 23 GLY N . . . . . . . . . . 182 . 50014 1 >> 46 1 1 . . 8.303 . . 1 1 1 26 LYS H . . . . . . . . . . 254 . 50014 1 >> 46 2 1 . . 125.237 . . 1 1 1 26 LYS N . . . . . . . . . . 255 . 50014 1 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_2 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label . _Number_of_spectral_dimensions . loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 N 15N 3 C 13C stop_ _Sample_label $sample_1 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_2 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_2 >> _Spectral_peak_list.Entry_ID 50014 >> _Spectral_peak_list.ID 2 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Chem_shift_reference_ID . >> _Spectral_peak_list.Chem_shift_reference_label . >> _Spectral_peak_list.Experiment_ID 2 >> _Spectral_peak_list.Experiment_name . >> _Spectral_peak_list.Experiment_class . >> _Spectral_peak_list.Experiment_type . >> _Spectral_peak_list.Number_of_spectral_dimensions . >> _Spectral_peak_list.Chemical_shift_list . >> _Spectral_peak_list.Assigned_chem_shift_list_ID 1 >> _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 1H . folded 9765.62500000 Hz . . . . . . 50014 2 >> 2 . . N 15 15N . folded 1440.32191306 Hz . . . . . . 50014 2 >> 3 . . C 13 13C . folded 3952.48072187 Hz . . . . . . 50014 2 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Restraint >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . . 50014 2 >> 2 1.0 . . 50014 2 >> 3 1.0 . . 50014 2 >> 4 1.0 . . 50014 2 >> 5 1.0 . . 50014 2 >> 6 1.0 . . 50014 2 >> 7 1.0 . . 50014 2 >> 8 1.0 . . 50014 2 >> 9 1.0 . . 50014 2 >> 10 1.0 . . 50014 2 >> 11 1.0 . . 50014 2 >> 12 1.0 . . 50014 2 >> 13 1.0 . . 50014 2 >> 14 1.0 . . 50014 2 >> 15 1.0 . . 50014 2 >> 16 1.0 . . 50014 2 >> 17 1.0 . . 50014 2 >> 18 1.0 . . 50014 2 >> 19 1.0 . . 50014 2 >> 20 1.0 . . 50014 2 >> 21 1.0 . . 50014 2 >> 22 1.0 . . 50014 2 >> 23 1.0 . . 50014 2 >> 24 1.0 . . 50014 2 >> 25 1.0 . . 50014 2 >> 26 1.0 . . 50014 2 >> 27 1.0 . . 50014 2 >> 28 1.0 . . 50014 2 >> 29 1.0 . . 50014 2 >> 30 1.0 . . 50014 2 >> 31 1.0 . . 50014 2 >> 32 1.0 . . 50014 2 >> 33 1.0 . . 50014 2 >> 34 1.0 . . 50014 2 >> 35 1.0 . . 50014 2 >> 36 1.0 . . 50014 2 >> 37 1.0 . . 50014 2 >> 38 1.0 . . 50014 2 >> 39 1.0 . . 50014 2 >> 40 1.0 . . 50014 2 >> 41 1.0 . . 50014 2 >> 42 1.0 . . 50014 2 >> 43 1.0 . . 50014 2 >> 44 1.0 . . 50014 2 >> 45 1.0 . . 50014 2 >> 46 1.0 . . 50014 2 >> 47 1.0 . . 50014 2 >> 48 1.0 . . 50014 2 >> 49 1.0 . . 50014 2 >> 50 1.0 . . 50014 2 >> 51 1.0 . . 50014 2 >> 52 1.0 . . 50014 2 >> 53 1.0 . . 50014 2 >> 54 1.0 . . 50014 2 >> 55 1.0 . . 50014 2 >> 56 1.0 . . 50014 2 >> 57 1.0 . . 50014 2 >> 58 1.0 . . 50014 2 >> 59 1.0 . . 50014 2 >> 60 1.0 . . 50014 2 >> 61 1.0 . . 50014 2 >> 62 1.0 . . 50014 2 >> 63 1.0 . . 50014 2 >> 64 1.0 . . 50014 2 >> 65 1.0 . . 50014 2 >> 66 1.0 . . 50014 2 >> 67 1.0 . . 50014 2 >> 68 1.0 . . 50014 2 >> 69 1.0 . . 50014 2 >> 70 1.0 . . 50014 2 >> 71 1.0 . . 50014 2 >> 72 1.0 . . 50014 2 >> 73 1.0 . . 50014 2 >> 74 1.0 . . 50014 2 >> 75 1.0 . . 50014 2 >> 76 1.0 . . 50014 2 >> 77 1.0 . . 50014 2 >> 78 1.0 . . 50014 2 >> 79 1.0 . . 50014 2 >> 80 1.0 . . 50014 2 >> 81 1.0 . . 50014 2 >> 82 1.0 . . 50014 2 >> 83 1.0 . . 50014 2 >> 84 1.0 . . 50014 2 >> 85 1.0 . . 50014 2 >> 86 1.0 . . 50014 2 >> 87 1.0 . . 50014 2 >> 88 1.0 . . 50014 2 >> 89 1.0 . . 50014 2 >> 90 1.0 . . 50014 2 >> 91 1.0 . . 50014 2 >> 92 1.0 . . 50014 2 >> 93 1.0 . . 50014 2 >> 94 1.0 . . 50014 2 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 288855.7500000 . height 50014 2 >> 1 6310495.5468800 . volume 50014 2 >> 2 113630.8515620 . height 50014 2 >> 2 2420392.1718800 . volume 50014 2 >> 3 245094.9218750 . height 50014 2 >> 3 5112877.1562500 . volume 50014 2 >> 4 593155.6875000 . height 50014 2 >> 4 12173607.5312000 . volume 50014 2 >> 5 301364.8125000 . height 50014 2 >> 5 6273552.2656200 . volume 50014 2 >> 6 811789.0625000 . height 50014 2 >> 6 16484843.5000000 . volume 50014 2 >> 7 521980.0625000 . height 50014 2 >> 7 11665085.2812000 . volume 50014 2 >> 8 268864.9062500 . height 50014 2 >> 8 5758766.5625000 . volume 50014 2 >> 9 599938.3750000 . height 50014 2 >> 9 12199470.1250000 . volume 50014 2 >> 10 187215.5937500 . height 50014 2 >> 10 3942254.7500000 . volume 50014 2 >> 11 423979.3750000 . height 50014 2 >> 11 9153185.7187500 . volume 50014 2 >> 12 343452.6875000 . height 50014 2 >> 12 6851989.9687500 . volume 50014 2 >> 13 681316.1250000 . height 50014 2 >> 13 14497990.9375000 . volume 50014 2 >> 14 600200.1250000 . height 50014 2 >> 14 13066483.9375000 . volume 50014 2 >> 15 759299.8750000 . height 50014 2 >> 15 15677772.8125000 . volume 50014 2 >> 16 708188.3750000 . height 50014 2 >> 16 15384402.4688000 . volume 50014 2 >> 17 541753.3125000 . height 50014 2 >> 17 11433519.1875000 . volume 50014 2 >> 18 378881.3750000 . height 50014 2 >> 18 8367135.7968800 . volume 50014 2 >> 19 388638.8750000 . height 50014 2 >> 19 8394703.8125000 . volume 50014 2 >> 20 168112.3750000 . height 50014 2 >> 20 3542376.5781200 . volume 50014 2 >> 21 145443.8125000 . height 50014 2 >> 21 3177722.5468800 . volume 50014 2 >> 22 377671.5625000 . height 50014 2 >> 22 8145756.4843800 . volume 50014 2 >> 23 220589.2187500 . height 50014 2 >> 23 4646733.8671900 . volume 50014 2 >> 24 509017.7812500 . height 50014 2 >> 24 10832777.6562000 . volume 50014 2 >> 25 474029.6250000 . height 50014 2 >> 25 10700800.6250000 . volume 50014 2 >> 26 394016.5000000 . height 50014 2 >> 26 8734233.6718800 . volume 50014 2 >> 27 318695.6250000 . height 50014 2 >> 27 6923252.3593800 . volume 50014 2 >> 28 134867.2031250 . height 50014 2 >> 28 2877716.3164100 . volume 50014 2 >> 29 71678.9531250 . height 50014 2 >> 29 1546526.0390600 . volume 50014 2 >> 30 45918.1757812 . height 50014 2 >> 30 914622.7812500 . volume 50014 2 >> 31 926260.0625000 . height 50014 2 >> 31 18169923.9375000 . volume 50014 2 >> 32 1043499.3750000 . height 50014 2 >> 32 22900408.3750000 . volume 50014 2 >> 33 529503.5625000 . height 50014 2 >> 33 11097075.5000000 . volume 50014 2 >> 34 531006.7500000 . height 50014 2 >> 34 10944368.1250000 . volume 50014 2 >> 35 409848.0937500 . height 50014 2 >> 35 8702487.3125000 . volume 50014 2 >> 36 404540.6562500 . height 50014 2 >> 36 8717127.1875000 . volume 50014 2 >> 37 657484.4375000 . height 50014 2 >> 37 13735190.4375000 . volume 50014 2 >> 38 261410.3281250 . height 50014 2 >> 38 5615890.0625000 . volume 50014 2 >> 39 137447.6093750 . height 50014 2 >> 39 2936747.8359400 . volume 50014 2 >> 40 314489.7500000 . height 50014 2 >> 40 6899478.0312500 . volume 50014 2 >> 41 422920.2500000 . height 50014 2 >> 41 8246183.0781200 . volume 50014 2 >> 42 312872.0000000 . height 50014 2 >> 42 6599025.8281200 . volume 50014 2 >> 43 193924.7656250 . height 50014 2 >> 43 4169093.6250000 . volume 50014 2 >> 44 519136.3437500 . height 50014 2 >> 44 10919420.6250000 . volume 50014 2 >> 45 288577.8125000 . height 50014 2 >> 45 5974356.6718800 . volume 50014 2 >> 46 565804.0000000 . height 50014 2 >> 46 11706318.9062000 . volume 50014 2 >> 47 859398.9375000 . height 50014 2 >> 47 17854566.9375000 . volume 50014 2 >> 48 341556.8125000 . height 50014 2 >> 48 7677257.8437500 . volume 50014 2 >> 49 301001.1562500 . height 50014 2 >> 49 6435979.8125000 . volume 50014 2 >> 50 646623.4375000 . height 50014 2 >> 50 13421060.0312000 . volume 50014 2 >> 51 329918.7187500 . height 50014 2 >> 51 7203158.4531200 . volume 50014 2 >> 52 269852.8750000 . height 50014 2 >> 52 5552170.9687500 . volume 50014 2 >> 53 1239561.2500000 . height 50014 2 >> 53 25043625.0000000 . volume 50014 2 >> 54 391404.5625000 . height 50014 2 >> 54 8402669.3125000 . volume 50014 2 >> 55 170220.2343750 . height 50014 2 >> 55 3785288.4140600 . volume 50014 2 >> 56 869934.0000000 . height 50014 2 >> 56 17880175.2500000 . volume 50014 2 >> 57 709383.7500000 . height 50014 2 >> 57 15091236.2188000 . volume 50014 2 >> 58 257655.4687500 . height 50014 2 >> 58 5203805.4531200 . volume 50014 2 >> 59 441155.0937500 . height 50014 2 >> 59 9122566.4843800 . volume 50014 2 >> 60 516643.2812500 . height 50014 2 >> 60 11402893.2188000 . volume 50014 2 >> 61 174913.2656250 . height 50014 2 >> 61 3755441.2031200 . volume 50014 2 >> 62 639685.8125000 . height 50014 2 >> 62 13338036.9062000 . volume 50014 2 >> 63 247523.3750000 . height 50014 2 >> 63 5121248.7968800 . volume 50014 2 >> 64 631889.5000000 . height 50014 2 >> 64 14060193.4688000 . volume 50014 2 >> 65 222431.4375000 . height 50014 2 >> 65 4856633.8671900 . volume 50014 2 >> 66 172259.6250000 . height 50014 2 >> 66 3565651.6875000 . volume 50014 2 >> 67 381382.6562500 . height 50014 2 >> 67 8212082.4062500 . volume 50014 2 >> 68 606982.3125000 . height 50014 2 >> 68 12752702.0312000 . volume 50014 2 >> 69 298093.8437500 . height 50014 2 >> 69 6369268.8593800 . volume 50014 2 >> 70 75565.5390625 . height 50014 2 >> 70 1633289.6953100 . volume 50014 2 >> 71 144093.3593750 . height 50014 2 >> 71 3082219.3046900 . volume 50014 2 >> 72 369315.6875000 . height 50014 2 >> 72 8100071.3750000 . volume 50014 2 >> 73 170988.3906250 . height 50014 2 >> 73 3693774.5546900 . volume 50014 2 >> 74 312189.0625000 . height 50014 2 >> 74 6659893.2343800 . volume 50014 2 >> 75 147217.5937500 . height 50014 2 >> 75 3154060.7109400 . volume 50014 2 >> 76 151511.3437500 . height 50014 2 >> 76 3390595.8281200 . volume 50014 2 >> 77 93200.3906250 . height 50014 2 >> 77 2010940.5937500 . volume 50014 2 >> 78 250984.4687500 . height 50014 2 >> 78 5435062.2968800 . volume 50014 2 >> 79 108104.6875000 . height 50014 2 >> 79 2356835.8203100 . volume 50014 2 >> 80 681485.5625000 . height 50014 2 >> 80 14070400.5312000 . volume 50014 2 >> 81 103545.8046880 . height 50014 2 >> 81 2282321.7578100 . volume 50014 2 >> 82 685514.8125000 . height 50014 2 >> 82 14208157.2500000 . volume 50014 2 >> 83 149473.8125000 . height 50014 2 >> 83 3159456.7187500 . volume 50014 2 >> 84 123485.7500000 . height 50014 2 >> 84 2662329.8125000 . volume 50014 2 >> 85 762825.8750000 . height 50014 2 >> 85 15668119.1250000 . volume 50014 2 >> 86 178793.0000000 . height 50014 2 >> 86 3811879.1093800 . volume 50014 2 >> 87 22174.0664062 . height 50014 2 >> 87 352072.1289060 . volume 50014 2 >> 88 1251895.7500000 . height 50014 2 >> 88 25202261.8125000 . volume 50014 2 >> 89 92395.4140625 . height 50014 2 >> 89 2140793.9296900 . volume 50014 2 >> 90 510139.9375000 . height 50014 2 >> 90 10675477.9375000 . volume 50014 2 >> 91 419562.5937500 . height 50014 2 >> 91 8733438.7968800 . volume 50014 2 >> 92 84090.8515625 . height 50014 2 >> 92 1732574.8046900 . volume 50014 2 >> 93 339613.6250000 . height 50014 2 >> 93 7304560.9687500 . volume 50014 2 >> 94 673835.8125000 . height 50014 2 >> 94 14749754.5938000 . volume 50014 2 >> >> stop_ >> >> loop_ >> _Peak_char.Peak_ID >> _Peak_char.Spectral_dim_ID >> _Peak_char.Chem_shift_val >> _Peak_char.Chem_shift_val_err >> _Peak_char.Line_width_val >> _Peak_char.Line_width_val_err >> _Peak_char.Phase_val >> _Peak_char.Phase_val_err >> _Peak_char.Decay_rate_val >> _Peak_char.Decay_rate_val_err >> _Peak_char.Coupling_pattern >> _Peak_char.Bounding_box_upper_val >> _Peak_char.Bounding_box_lower_val >> _Peak_char.Bounding_box_range_val >> _Peak_char.Details >> _Peak_char.Derivation_method_ID >> _Peak_char.Entry_ID >> _Peak_char.Spectral_peak_list_ID >> >> 1 1 8.143 . 19.2510196939 . . . . . . . . . . . 50014 2 >> 1 2 124.790 . 26.5073940351 . . . . . . . . . . . 50014 2 >> 1 3 52.683 . 70.4885717860 . . . . . . . . . . . 50014 2 >> 2 1 8.143 . 17.4730666913 . . . . . . . . . . . 50014 2 >> 2 2 124.795 . 27.0213879739 . . . . . . . . . . . 50014 2 >> 2 3 57.683 . 71.6668562124 . . . . . . . . . . . 50014 2 >> 3 1 8.279 . 16.4883385878 . . . . . . . . . . . 50014 2 >> 3 2 124.656 . 27.2460463681 . . . . . . . . . . . 50014 2 >> 3 3 62.466 . 72.1723653212 . . . . . . . . . . . 50014 2 >> 4 1 8.279 . 15.8074544743 . . . . . . . . . . . 50014 2 >> 4 2 124.660 . 27.3864645715 . . . . . . . . . . . 50014 2 >> 4 3 56.385 . 73.2345646429 . . . . . . . . . . . 50014 2 >> 5 1 8.225 . 15.8701732289 . . . . . . . . . . . 50014 2 >> 5 2 124.441 . 24.8295977149 . . . . . . . . . . . 50014 2 >> 5 3 56.657 . 68.0809985190 . . . . . . . . . . . 50014 2 >> 6 1 8.225 . 15.3259315994 . . . . . . . . . . . 50014 2 >> 6 2 124.433 . 24.8022867231 . . . . . . . . . . . 50014 2 >> 6 3 52.589 . 69.4625938441 . . . . . . . . . . . 50014 2 >> 7 1 8.258 . 16.7054531630 . . . . . . . . . . . 50014 2 >> 7 2 123.630 . 25.8554071519 . . . . . . . . . . . 50014 2 >> 7 3 54.080 . 81.6767964570 . . . . . . . . . . . 50014 2 >> 8 1 8.257 . 16.6818790603 . . . . . . . . . . . 50014 2 >> 8 2 123.605 . 25.5196053620 . . . . . . . . . . . 50014 2 >> 8 3 62.003 . 73.0507485030 . . . . . . . . . . . 50014 2 >> 9 1 8.135 . 15.6922033057 . . . . . . . . . . . 50014 2 >> 9 2 123.623 . 25.5563920338 . . . . . . . . . . . 50014 2 >> 9 3 52.953 . 68.7202616982 . . . . . . . . . . . 50014 2 >> 10 1 8.136 . 16.4206721820 . . . . . . . . . . . 50014 2 >> 10 2 123.632 . 25.8221188625 . . . . . . . . . . . 50014 2 >> 10 3 55.436 . 69.3345527392 . . . . . . . . . . . 50014 2 >> 11 1 7.998 . 17.5190507434 . . . . . . . . . . . 50014 2 >> 11 2 123.559 . 25.9515160881 . . . . . . . . . . . 50014 2 >> 11 3 52.449 . 70.9159251699 . . . . . . . . . . . 50014 2 >> 12 1 7.998 . 16.6028621607 . . . . . . . . . . . 50014 2 >> 12 2 123.561 . 26.1951365737 . . . . . . . . . . . 50014 2 >> 12 3 45.311 . 35.0966911328 . . . . . . . . . . . 50014 2 >> 13 1 8.285 . 16.9948907569 . . . . . . . . . . . 50014 2 >> 13 2 122.824 . 25.7588045789 . . . . . . . . . . . 50014 2 >> 13 3 56.498 . 72.3606575991 . . . . . . . . . . . 50014 2 >> 14 1 8.285 . 17.7000765689 . . . . . . . . . . . 50014 2 >> 14 2 122.850 . 26.4463118483 . . . . . . . . . . . 50014 2 >> 14 3 56.334 . 75.2418769402 . . . . . . . . . . . 50014 2 >> 15 1 8.359 . 16.1444768310 . . . . . . . . . . . 50014 2 >> 15 2 122.438 . 25.8443969053 . . . . . . . . . . . 50014 2 >> 15 3 56.529 . 80.0546676122 . . . . . . . . . . . 50014 2 >> 16 1 8.359 . 16.6459358297 . . . . . . . . . . . 50014 2 >> 16 2 122.450 . 25.6874633320 . . . . . . . . . . . 50014 2 >> 16 3 56.632 . 83.3690121992 . . . . . . . . . . . 50014 2 >> 17 1 8.165 . 18.1945506483 . . . . . . . . . . . 50014 2 >> 17 2 122.333 . 25.0548355958 . . . . . . . . . . . 50014 2 >> 17 3 62.519 . 69.5305604655 . . . . . . . . . . . 50014 2 >> 18 1 8.166 . 19.8840280063 . . . . . . . . . . . 50014 2 >> 18 2 122.350 . 29.4784436184 . . . . . . . . . . . 50014 2 >> 18 3 56.440 . 89.0656045358 . . . . . . . . . . . 50014 2 >> 19 1 8.095 . 17.6471075974 . . . . . . . . . . . 50014 2 >> 19 2 122.482 . 25.7729268836 . . . . . . . . . . . 50014 2 >> 19 3 55.428 . 73.3911116790 . . . . . . . . . . . 50014 2 >> 20 1 8.095 . 16.3746881299 . . . . . . . . . . . 50014 2 >> 20 2 122.460 . 25.0603514504 . . . . . . . . . . . 50014 2 >> 20 3 53.288 . 84.2107617254 . . . . . . . . . . . 50014 2 >> 21 1 8.065 . 18.2577059604 . . . . . . . . . . . 50014 2 >> 21 2 122.256 . 27.6544556907 . . . . . . . . . . . 50014 2 >> 21 3 57.656 . 75.8105820497 . . . . . . . . . . . 50014 2 >> 22 1 8.065 . 17.7830224857 . . . . . . . . . . . 50014 2 >> 22 2 122.250 . 27.1170354670 . . . . . . . . . . . 50014 2 >> 22 3 53.874 . 79.1242198781 . . . . . . . . . . . 50014 2 >> 23 1 8.018 . 17.4375600182 . . . . . . . . . . . 50014 2 >> 23 2 122.104 . 24.2919306728 . . . . . . . . . . . 50014 2 >> 23 3 53.998 . 76.8322016468 . . . . . . . . . . . 50014 2 >> 24 1 8.018 . 17.1610736288 . . . . . . . . . . . 50014 2 >> 24 2 122.108 . 25.6783847076 . . . . . . . . . . . 50014 2 >> 24 3 56.045 . 73.0697720894 . . . . . . . . . . . 50014 2 >> 25 1 8.162 . 21.3630846702 . . . . . . . . . . . 50014 2 >> 25 2 122.170 . 28.6777432875 . . . . . . . . . . . 50014 2 >> 25 3 56.136 . 85.7133305690 . . . . . . . . . . . 50014 2 >> 26 1 8.163 . 20.6968979910 . . . . . . . . . . . 50014 2 >> 26 2 122.239 . 28.7132636737 . . . . . . . . . . . 50014 2 >> 26 3 56.430 . 94.8432385285 . . . . . . . . . . . 50014 2 >> 27 1 8.202 . 20.0084468815 . . . . . . . . . . . 50014 2 >> 27 2 122.107 . 26.6863481016 . . . . . . . . . . . 50014 2 >> 27 3 56.434 . 71.4343326237 . . . . . . . . . . . 50014 2 >> 28 1 8.202 . 19.2446168512 . . . . . . . . . . . 50014 2 >> 28 2 122.114 . 24.8228477684 . . . . . . . . . . . 50014 2 >> 28 3 55.533 . 66.2635687065 . . . . . . . . . . . 50014 2 >> 29 1 8.191 . 16.7668622453 . . . . . . . . . . . 50014 2 >> 29 2 121.137 . 30.1027868416 . . . . . . . . . . . 50014 2 >> 29 3 62.032 . 62.6017344606 . . . . . . . . . . . 50014 2 >> 30 1 8.191 . 15.2115535457 . . . . . . . . . . . 50014 2 >> 30 2 121.132 . 28.1296562168 . . . . . . . . . . . 50014 2 >> 30 3 55.784 . 69.5410440518 . . . . . . . . . . . 50014 2 >> 31 1 7.878 . 16.2760261446 . . . . . . . . . . . 50014 2 >> 31 2 121.581 . 24.9208024769 . . . . . . . . . . . 50014 2 >> 31 3 45.500 . 34.7838326467 . . . . . . . . . . . 50014 2 >> 32 1 7.878 . 16.0018680617 . . . . . . . . . . . 50014 2 >> 32 2 121.590 . 24.7568506763 . . . . . . . . . . . 50014 2 >> 32 3 60.157 . 82.9350624015 . . . . . . . . . . . 50014 2 >> 33 1 7.987 . 16.6648533195 . . . . . . . . . . . 50014 2 >> 33 2 121.380 . 26.4510121291 . . . . . . . . . . . 50014 2 >> 33 3 55.569 . 68.6352150766 . . . . . . . . . . . 50014 2 >> 34 1 7.988 . 17.8584014066 . . . . . . . . . . . 50014 2 >> 34 2 121.365 . 27.7210751945 . . . . . . . . . . . 50014 2 >> 34 3 45.372 . 37.2546608110 . . . . . . . . . . . 50014 2 >> 35 1 7.991 . 18.6453689821 . . . . . . . . . . . 50014 2 >> 35 2 121.220 . 32.3000285677 . . . . . . . . . . . 50014 2 >> 35 3 45.334 . 37.1599551548 . . . . . . . . . . . 50014 2 >> 36 1 7.992 . 17.6730100065 . . . . . . . . . . . 50014 2 >> 36 2 121.234 . 26.3811947174 . . . . . . . . . . . 50014 2 >> 36 3 57.705 . 67.7544760327 . . . . . . . . . . . 50014 2 >> 37 1 8.047 . 16.6991958395 . . . . . . . . . . . 50014 2 >> 37 2 121.283 . 25.2414517638 . . . . . . . . . . . 50014 2 >> 37 3 62.481 . 69.7197361916 . . . . . . . . . . . 50014 2 >> 38 1 8.047 . 17.3164880835 . . . . . . . . . . . 50014 2 >> 38 2 121.294 . 25.3503523315 . . . . . . . . . . . 50014 2 >> 38 3 56.277 . 74.4020121036 . . . . . . . . . . . 50014 2 >> 39 1 8.075 . 17.8813934326 . . . . . . . . . . . 50014 2 >> 39 2 121.336 . 26.9079695565 . . . . . . . . . . . 50014 2 >> 39 3 58.580 . 172.1847775600 . . . . . . . . . . . 50014 2 >> 40 1 8.075 . 19.2312290892 . . . . . . . . . . . 50014 2 >> 40 2 121.328 . 28.4246363907 . . . . . . . . . . . 50014 2 >> 40 3 58.043 . 77.0538882698 . . . . . . . . . . . 50014 2 >> 41 1 8.279 . 16.2345531862 . . . . . . . . . . . 50014 2 >> 41 2 120.956 . 25.2728728184 . . . . . . . . . . . 50014 2 >> 41 3 45.701 . 34.6643904386 . . . . . . . . . . . 50014 2 >> 42 1 8.501 . 18.0232746061 . . . . . . . . . . . 50014 2 >> 42 2 120.929 . 24.6793926257 . . . . . . . . . . . 50014 2 >> 42 3 55.589 . 73.4292766450 . . . . . . . . . . . 50014 2 >> 43 1 8.501 . 18.0832284968 . . . . . . . . . . . 50014 2 >> 43 2 120.972 . 26.0389112618 . . . . . . . . . . . 50014 2 >> 43 3 62.993 . 64.8425715879 . . . . . . . . . . . 50014 2 >> 44 1 8.279 . 16.9656414073 . . . . . . . . . . . 50014 2 >> 44 2 120.966 . 26.4469557224 . . . . . . . . . . . 50014 2 >> 44 3 57.237 . 63.5703471605 . . . . . . . . . . . 50014 2 >> 45 1 8.279 . 16.0936906468 . . . . . . . . . . . 50014 2 >> 45 2 121.054 . 25.7191204738 . . . . . . . . . . . 50014 2 >> 45 3 56.570 . 60.6357675430 . . . . . . . . . . . 50014 2 >> 46 1 8.279 . 16.5270466823 . . . . . . . . . . . 50014 2 >> 46 2 121.039 . 25.1894696639 . . . . . . . . . . . 50014 2 >> 46 3 54.378 . 77.9206099342 . . . . . . . . . . . 50014 2 >> 47 1 7.957 . 16.1156640388 . . . . . . . . . . . 50014 2 >> 47 2 120.876 . 26.2947868172 . . . . . . . . . . . 50014 2 >> 47 3 55.835 . 77.4029092391 . . . . . . . . . . . 50014 2 >> 48 1 7.957 . 16.7047255673 . . . . . . . . . . . 50014 2 >> 48 2 120.880 . 25.2385757929 . . . . . . . . . . . 50014 2 >> 48 3 56.041 . 123.6255124910 . . . . . . . . . . . 50014 2 >> 49 1 8.072 . 17.5577588379 . . . . . . . . . . . 50014 2 >> 49 2 120.846 . 25.2917168662 . . . . . . . . . . . 50014 2 >> 49 3 55.596 . 71.2641215874 . . . . . . . . . . . 50014 2 >> 50 1 8.071 . 16.9282429852 . . . . . . . . . . . 50014 2 >> 50 2 120.836 . 24.9936031718 . . . . . . . . . . . 50014 2 >> 50 3 62.034 . 69.9047891591 . . . . . . . . . . . 50014 2 >> 51 1 8.088 . 19.3901360035 . . . . . . . . . . . 50014 2 >> 51 2 120.833 . 27.3100045257 . . . . . . . . . . . 50014 2 >> 51 3 56.246 . 66.8035322985 . . . . . . . . . . . 50014 2 >> 52 1 8.087 . 18.9291313291 . . . . . . . . . . . 50014 2 >> 52 2 120.834 . 25.7016500240 . . . . . . . . . . . 50014 2 >> 52 3 45.190 . 35.4255694812 . . . . . . . . . . . 50014 2 >> 53 1 8.290 . 18.1198993232 . . . . . . . . . . . 50014 2 >> 53 2 109.985 . 25.3845205821 . . . . . . . . . . . 50014 2 >> 53 3 45.505 . 34.0834348462 . . . . . . . . . . . 50014 2 >> 54 1 8.122 . 18.1069481187 . . . . . . . . . . . 50014 2 >> 54 2 120.634 . 25.3913456472 . . . . . . . . . . . 50014 2 >> 54 3 57.728 . 70.5413430969 . . . . . . . . . . . 50014 2 >> 55 1 8.120 . 40.8588675782 . . . . . . . . . . . 50014 2 >> 55 2 120.641 . 25.2347554734 . . . . . . . . . . . 50014 2 >> 55 3 56.137 . 65.8191353225 . . . . . . . . . . . 50014 2 >> 56 1 8.095 . 16.0615309142 . . . . . . . . . . . 50014 2 >> 56 2 120.510 . 25.5826620959 . . . . . . . . . . . 50014 2 >> 56 3 54.360 . 84.6941846271 . . . . . . . . . . . 50014 2 >> 57 1 8.096 . 16.2719516084 . . . . . . . . . . . 50014 2 >> 57 2 120.510 . 26.2465821119 . . . . . . . . . . . 50014 2 >> 57 3 54.147 . 94.7040070787 . . . . . . . . . . . 50014 2 >> 58 1 7.906 . 18.0359347723 . . . . . . . . . . . 50014 2 >> 58 2 120.186 . 25.5981579985 . . . . . . . . . . . 50014 2 >> 58 3 45.683 . 35.8849625895 . . . . . . . . . . . 50014 2 >> 59 1 7.905 . 17.6645698957 . . . . . . . . . . . 50014 2 >> 59 2 120.190 . 24.7222317138 . . . . . . . . . . . 50014 2 >> 59 3 56.611 . 71.8064410415 . . . . . . . . . . . 50014 2 >> 60 1 7.956 . 18.3231895790 . . . . . . . . . . . 50014 2 >> 60 2 120.251 . 28.5626829913 . . . . . . . . . . . 50014 2 >> 60 3 56.394 . 72.7873042243 . . . . . . . . . . . 50014 2 >> 61 1 7.957 . 17.9567723535 . . . . . . . . . . . 50014 2 >> 61 2 120.222 . 24.9361696047 . . . . . . . . . . . 50014 2 >> 61 3 55.754 . 68.5471058343 . . . . . . . . . . . 50014 2 >> 62 1 7.980 . 16.7012331076 . . . . . . . . . . . 50014 2 >> 62 2 120.218 . 25.8843814851 . . . . . . . . . . . 50014 2 >> 62 3 62.482 . 69.9309392284 . . . . . . . . . . . 50014 2 >> 63 1 7.979 . 16.6209065355 . . . . . . . . . . . 50014 2 >> 63 2 120.201 . 25.4881413824 . . . . . . . . . . . 50014 2 >> 63 3 53.213 . 78.1943611096 . . . . . . . . . . . 50014 2 >> 64 1 8.213 . 17.2325235326 . . . . . . . . . . . 50014 2 >> 64 2 120.370 . 26.5756446865 . . . . . . . . . . . 50014 2 >> 64 3 58.165 . 75.7654672906 . . . . . . . . . . . 50014 2 >> 65 1 8.213 . 17.1033025254 . . . . . . . . . . . 50014 2 >> 65 2 120.370 . 25.8506424838 . . . . . . . . . . . 50014 2 >> 65 3 54.356 . 79.5984549176 . . . . . . . . . . . 50014 2 >> 66 1 8.278 . 17.4665183295 . . . . . . . . . . . 50014 2 >> 66 2 120.315 . 24.4523626286 . . . . . . . . . . . 50014 2 >> 66 3 56.608 . 65.1980122813 . . . . . . . . . . . 50014 2 >> 67 1 8.278 . 18.2029907592 . . . . . . . . . . . 50014 2 >> 67 2 120.319 . 27.9910515920 . . . . . . . . . . . 50014 2 >> 67 3 55.576 . 63.3871788827 . . . . . . . . . . . 50014 2 >> 68 1 8.357 . 17.0880230144 . . . . . . . . . . . 50014 2 >> 68 2 120.236 . 24.8507919031 . . . . . . . . . . . 50014 2 >> 68 3 56.632 . 71.8568564903 . . . . . . . . . . . 50014 2 >> 69 1 8.357 . 17.3473381437 . . . . . . . . . . . 50014 2 >> 69 2 120.230 . 25.4565057031 . . . . . . . . . . . 50014 2 >> 69 3 52.477 . 67.7298572739 . . . . . . . . . . . 50014 2 >> 70 1 8.392 . 19.9051282834 . . . . . . . . . . . 50014 2 >> 70 2 119.859 . 26.2890348755 . . . . . . . . . . . 50014 2 >> 70 3 56.110 . 65.5582235955 . . . . . . . . . . . 50014 2 >> 71 1 8.392 . 20.4548996408 . . . . . . . . . . . 50014 2 >> 71 2 119.900 . 26.0432896055 . . . . . . . . . . . 50014 2 >> 71 3 53.212 . 79.9843451287 . . . . . . . . . . . 50014 2 >> 72 1 8.206 . 18.6503166333 . . . . . . . . . . . 50014 2 >> 72 2 119.654 . 27.2145394636 . . . . . . . . . . . 50014 2 >> 72 3 56.106 . 69.9596807459 . . . . . . . . . . . 50014 2 >> 73 1 8.206 . 18.3502561413 . . . . . . . . . . . 50014 2 >> 73 2 119.650 . 26.5539246679 . . . . . . . . . . . 50014 2 >> 73 3 52.486 . 64.6615824825 . . . . . . . . . . . 50014 2 >> 74 1 8.405 . 18.9428101294 . . . . . . . . . . . 50014 2 >> 74 2 118.710 . 25.4471480666 . . . . . . . . . . . 50014 2 >> 74 3 54.002 . 81.9797603223 . . . . . . . . . . . 50014 2 >> 75 1 8.404 . 17.7355832420 . . . . . . . . . . . 50014 2 >> 75 2 118.685 . 26.3569421274 . . . . . . . . . . . 50014 2 >> 75 3 57.281 . 73.8395500287 . . . . . . . . . . . 50014 2 >> 76 1 8.255 . 22.8732824326 . . . . . . . . . . . 50014 2 >> 76 2 117.198 . 27.6367491538 . . . . . . . . . . . 50014 2 >> 76 3 53.345 . 86.5023087844 . . . . . . . . . . . 50014 2 >> 77 1 8.257 . 19.6302426048 . . . . . . . . . . . 50014 2 >> 77 2 117.207 . 26.5011269942 . . . . . . . . . . . 50014 2 >> 77 3 52.731 . 165.1619526580 . . . . . . . . . . . 50014 2 >> 78 1 8.001 . 18.9727870747 . . . . . . . . . . . 50014 2 >> 78 2 115.880 . 26.0565534114 . . . . . . . . . . . 50014 2 >> 78 3 58.582 . 80.6922816879 . . . . . . . . . . . 50014 2 >> 79 1 8.001 . 19.8528869078 . . . . . . . . . . . 50014 2 >> 79 2 115.894 . 26.0547505640 . . . . . . . . . . . 50014 2 >> 79 3 56.357 . 65.6472751827 . . . . . . . . . . . 50014 2 >> 80 1 7.394 . 20.4617390409 . . . . . . . . . . . 50014 2 >> 80 2 108.099 . 25.6012056691 . . . . . . . . . . . 50014 2 >> 80 3 45.686 . 35.3537156873 . . . . . . . . . . . 50014 2 >> 81 1 7.392 . 19.3898449652 . . . . . . . . . . . 50014 2 >> 81 2 108.119 . 26.8079115260 . . . . . . . . . . . 50014 2 >> 81 3 53.832 . 79.5303705031 . . . . . . . . . . . 50014 2 >> 82 1 8.168 . 20.3438685276 . . . . . . . . . . . 50014 2 >> 82 2 107.528 . 26.1338182997 . . . . . . . . . . . 50014 2 >> 82 3 45.399 . 34.5060765058 . . . . . . . . . . . 50014 2 >> 83 1 8.170 . 19.9727946892 . . . . . . . . . . . 50014 2 >> 83 2 107.536 . 23.9729769211 . . . . . . . . . . . 50014 2 >> 83 3 52.906 . 54.6185423754 . . . . . . . . . . . 50014 2 >> 84 1 8.357 . 19.4486347027 . . . . . . . . . . . 50014 2 >> 84 2 109.301 . 26.8066237779 . . . . . . . . . . . 50014 2 >> 84 3 55.483 . 71.3112388293 . . . . . . . . . . . 50014 2 >> 85 1 8.356 . 19.9285568669 . . . . . . . . . . . 50014 2 >> 85 2 109.293 . 25.8133407127 . . . . . . . . . . . 50014 2 >> 85 3 45.315 . 34.5779302997 . . . . . . . . . . . 50014 2 >> 86 1 8.257 . 17.9087510332 . . . . . . . . . . . 50014 2 >> 86 2 109.417 . 25.5378484606 . . . . . . . . . . . 50014 2 >> 86 3 58.154 . 69.4005168779 . . . . . . . . . . . 50014 2 >> 87 1 8.265 . 15.0258711074 . . . . . . . . . . . 50014 2 >> 87 2 109.292 . 24.9544127034 . . . . . . . . . . . 50014 2 >> 87 3 46.004 . 126.6572714190 . . . . . . . . . . . 50014 2 >> 88 1 8.257 . 18.1661744136 . . . . . . . . . . . 50014 2 >> 88 2 109.405 . 25.2741176416 . . . . . . . . . . . 50014 2 >> 88 3 45.705 . 34.5449482304 . . . . . . . . . . . 50014 2 >> 89 1 8.218 . 21.1241422221 . . . . . . . . . . . 50014 2 >> 89 2 109.875 . 26.1570836161 . . . . . . . . . . . 50014 2 >> 89 3 58.064 . 73.2629527811 . . . . . . . . . . . 50014 2 >> 90 1 8.219 . 21.1685255636 . . . . . . . . . . . 50014 2 >> 90 2 109.875 . 26.0644515999 . . . . . . . . . . . 50014 2 >> 90 3 45.289 . 35.4656191368 . . . . . . . . . . . 50014 2 >> 91 1 8.284 . 21.4658211917 . . . . . . . . . . . 50014 2 >> 91 2 109.700 . 27.0186729716 . . . . . . . . . . . 50014 2 >> 91 3 45.182 . 35.1833868579 . . . . . . . . . . . 50014 2 >> 92 1 8.284 . 20.0333306566 . . . . . . . . . . . 50014 2 >> 92 2 109.652 . 24.1638211954 . . . . . . . . . . . 50014 2 >> 92 3 56.348 . 73.5800518190 . . . . . . . . . . . 50014 2 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Contribution_fractional_val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Ambiguity_code >> _Assigned_peak_chem_shift.Ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_ambiguity_code >> _Assigned_peak_chem_shift.Auth_ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 1 . . 8.143 . . 1 1 1 32 ALA H . . . . . . . . . . 5 . 50014 2 >> 1 2 1 . . 124.790 . . 1 1 1 32 ALA N . . . . . . . . . . 6 . 50014 2 >> 1 3 2 . . 52.683 . . 1 1 1 32 ALA CA . . . . . . . . . . 8 . 50014 2 >> 2 1 1 . . 8.143 . . 1 1 1 32 ALA H . . . . . . . . . . 5 . 50014 2 >> 2 2 1 . . 124.795 . . 1 1 1 32 ALA N . . . . . . . . . . 6 . 50014 2 >> 2 3 1 . . 57.683 . . 1 1 1 31 TYR CA . . . . . . . . . . 111 . 50014 2 >> 3 1 4 . . 8.279 . . 1 1 1 43 LYS H . . . . . . . . . . 194 . 50014 2 >> 3 2 3 . . 124.656 . . 1 1 1 43 LYS N . . . . . . . . . . 195 . 50014 2 >> 3 3 7 . . 62.466 . . 1 . . . . . . . . . . . . . . . 249 . 50014 2 >> 4 1 4 . . 8.279 . . 1 1 1 43 LYS H . . . . . . . . . . 194 . 50014 2 >> 4 2 4 . . 124.660 . . 1 1 1 43 LYS N . . . . . . . . . . 195 . 50014 2 >> 4 3 5 . . 56.385 . . 1 1 1 43 LYS CA . . . . . . . . . . 199 . 50014 2 >> 5 1 1 . . 8.225 . . 1 1 1 45 ALA H . . . . . . . . . . 11 . 50014 2 >> 5 2 1 . . 124.441 . . 1 1 1 45 ALA N . . . . . . . . . . 12 . 50014 2 >> 5 3 1 . . 56.657 . . 1 1 1 44 GLU CA . . . . . . . . . . 34 . 50014 2 >> 6 1 1 . . 8.225 . . 1 1 1 45 ALA H . . . . . . . . . . 11 . 50014 2 >> 6 2 1 . . 124.433 . . 1 1 1 45 ALA N . . . . . . . . . . 12 . 50014 2 >> 6 3 2 . . 52.589 . . 1 1 1 45 ALA CA . . . . . . . . . . 13 . 50014 2 >> 7 1 1 . . 8.258 . . 1 1 1 5 ASP H . . . . . . . . . . 15 . 50014 2 >> 7 2 1 . . 123.630 . . 1 1 1 5 ASP N . . . . . . . . . . 16 . 50014 2 >> 7 3 2 . . 54.080 . . 1 1 1 5 ASP CA . . . . . . . . . . 18 . 50014 2 >> 8 1 1 . . 8.257 . . 1 1 1 5 ASP H . . . . . . . . . . 15 . 50014 2 >> 8 2 1 . . 123.605 . . 1 1 1 5 ASP N . . . . . . . . . . 16 . 50014 2 >> 8 3 1 . . 62.003 . . 1 1 1 4 VAL CA . . . . . . . . . . 103 . 50014 2 >> 9 1 1 . . 8.135 . . 1 1 1 35 ALA H . . . . . . . . . . 20 . 50014 2 >> 9 2 1 . . 123.623 . . 1 1 1 35 ALA N . . . . . . . . . . 21 . 50014 2 >> 9 3 2 . . 52.953 . . 1 1 1 35 ALA CA . . . . . . . . . . 22 . 50014 2 >> 10 1 1 . . 8.136 . . 1 1 1 35 ALA H . . . . . . . . . . 20 . 50014 2 >> 10 2 1 . . 123.632 . . 1 1 1 35 ALA N . . . . . . . . . . 21 . 50014 2 >> 10 3 1 . . 55.436 . . 1 1 1 34 LEU CA . . . . . . . . . . 41 . 50014 2 >> 11 1 1 . . 7.998 . . 1 1 1 39 ALA H . . . . . . . . . . 24 . 50014 2 >> 11 2 1 . . 123.559 . . 1 1 1 39 ALA N . . . . . . . . . . 25 . 50014 2 >> 11 3 1 . . 52.449 . . 1 1 1 39 ALA CA . . . . . . . . . . 145 . 50014 2 >> 12 1 1 . . 7.998 . . 1 1 1 39 ALA H . . . . . . . . . . 24 . 50014 2 >> 12 2 1 . . 123.561 . . 1 1 1 39 ALA N . . . . . . . . . . 25 . 50014 2 >> 12 3 2 . . 45.311 . . 1 1 1 38 GLY CA . . . . . . . . . . 26 . 50014 2 >> 13 1 1 . . 8.285 . . 1 1 1 27 GLU H . . . . . . . . . . 27 . 50014 2 >> 13 2 1 . . 122.824 . . 1 1 1 27 GLU N . . . . . . . . . . 28 . 50014 2 >> 13 3 1 . . 56.498 . . 1 1 1 43 LYS CA . . . . . . . . . . 199 . 50014 2 >> 14 1 1 . . 8.285 . . 1 1 1 27 GLU H . . . . . . . . . . 27 . 50014 2 >> 14 2 1 . . 122.850 . . 1 1 1 27 GLU N . . . . . . . . . . 28 . 50014 2 >> 14 3 2 . . 56.334 . . 1 1 1 27 GLU CA . . . . . . . . . . 30 . 50014 2 >> 15 1 1 . . 8.359 . . 1 1 1 44 GLU H . . . . . . . . . . 31 . 50014 2 >> 15 2 1 . . 122.438 . . 1 1 1 44 GLU N . . . . . . . . . . 32 . 50014 2 >> 15 3 1 . . 56.529 . . 1 1 1 43 LYS CA . . . . . . . . . . 199 . 50014 2 >> 16 1 1 . . 8.359 . . 1 1 1 44 GLU H . . . . . . . . . . 31 . 50014 2 >> 16 2 1 . . 122.450 . . 1 1 1 44 GLU N . . . . . . . . . . 32 . 50014 2 >> 16 3 2 . . 56.632 . . 1 1 1 44 GLU CA . . . . . . . . . . 34 . 50014 2 >> 17 1 1 . . 8.165 . . 1 1 1 28 VAL H . . . . . . . . . . 35 . 50014 2 >> 17 2 1 . . 122.333 . . 1 1 1 28 VAL N . . . . . . . . . . 36 . 50014 2 >> 17 3 1 . . 62.519 . . 1 1 1 28 VAL CA . . . . . . . . . . 37 . 50014 2 >> 18 1 1 . . 8.166 . . 1 1 1 28 VAL H . . . . . . . . . . 35 . 50014 2 >> 18 2 1 . . 122.350 . . 1 1 1 28 VAL N . . . . . . . . . . 36 . 50014 2 >> 18 3 1 . . 56.440 . . 1 1 1 27 GLU CA . . . . . . . . . . 30 . 50014 2 >> 19 1 1 . . 8.095 . . 1 1 1 34 LEU H . . . . . . . . . . 39 . 50014 2 >> 19 2 1 . . 122.482 . . 1 1 1 34 LEU N . . . . . . . . . . 40 . 50014 2 >> 19 3 2 . . 55.428 . . 1 1 1 34 LEU CA . . . . . . . . . . 41 . 50014 2 >> 20 1 1 . . 8.095 . . 1 1 1 34 LEU H . . . . . . . . . . 39 . 50014 2 >> 20 2 1 . . 122.460 . . 1 1 1 34 LEU N . . . . . . . . . . 40 . 50014 2 >> 20 3 1 . . 53.288 . . 1 1 1 33 ASN CA . . . . . . . . . . 153 . 50014 2 >> 21 1 1 . . 8.065 . . 1 1 1 18 ASP H . . . . . . . . . . 43 . 50014 2 >> 21 2 1 . . 122.256 . . 1 1 1 18 ASP N . . . . . . . . . . 44 . 50014 2 >> 21 3 2 . . 57.656 . . 1 1 1 17 TRP CA . . . . . . . . . . 74 . 50014 2 >> 22 1 1 . . 8.065 . . 1 1 1 18 ASP H . . . . . . . . . . 43 . 50014 2 >> 22 2 1 . . 122.250 . . 1 1 1 18 ASP N . . . . . . . . . . 44 . 50014 2 >> 22 3 1 . . 53.874 . . 1 1 1 18 ASP CA . . . . . . . . . . 161 . 50014 2 >> 23 1 1 . . 8.018 . . 1 1 1 11 LEU H . . . . . . . . . . 47 . 50014 2 >> 23 2 1 . . 122.104 . . 1 1 1 11 LEU N . . . . . . . . . . 48 . 50014 2 >> 23 3 1 . . 53.998 . . 1 1 1 10 ASN CA . . . . . . . . . . 149 . 50014 2 >> 24 1 1 . . 8.018 . . 1 1 1 11 LEU H . . . . . . . . . . 47 . 50014 2 >> 24 2 1 . . 122.108 . . 1 1 1 11 LEU N . . . . . . . . . . 48 . 50014 2 >> 24 3 2 . . 56.045 . . 1 1 1 11 LEU CA . . . . . . . . . . 50 . 50014 2 >> 25 1 1 . . 8.162 . . 1 1 1 30 ARG H . . . . . . . . . . 51 . 50014 2 >> 25 2 1 . . 122.170 . . 1 1 1 30 ARG N . . . . . . . . . . 52 . 50014 2 >> 25 3 3 . . 56.136 . . 1 1 1 30 ARG CA . . . . . . . . . . 56 . 50014 2 >> 26 1 1 . . 8.163 . . 1 1 1 30 ARG H . . . . . . . . . . 51 . 50014 2 >> 26 2 1 . . 122.239 . . 1 1 1 30 ARG N . . . . . . . . . . 52 . 50014 2 >> 26 3 2 . . 56.430 . . 1 1 1 29 LYS CA . . . . . . . . . . 3 . 50014 2 >> 27 1 1 . . 8.202 . . 1 1 1 22 ARG H . . . . . . . . . . 57 . 50014 2 >> 27 2 1 . . 122.107 . . 1 1 1 22 ARG N . . . . . . . . . . 58 . 50014 2 >> 27 3 1 . . 56.434 . . 1 1 1 22 ARG CA . . . . . . . . . . 188 . 50014 2 >> 28 1 1 . . 8.202 . . 1 1 1 22 ARG H . . . . . . . . . . 57 . 50014 2 >> 28 2 1 . . 122.114 . . 1 1 1 22 ARG N . . . . . . . . . . 58 . 50014 2 >> 28 3 2 . . 55.533 . . 1 1 1 21 MET CA . . . . . . . . . . 60 . 50014 2 >> 29 1 1 . . 8.191 . . 1 . . . . . . . . . . . . . . . 61 . 50014 2 >> 29 2 1 . . 121.137 . . 1 . . . . . . . . . . . . . . . 62 . 50014 2 >> 29 3 1 . . 62.032 . . 1 . . . . . . . . . . . . . . . 63 . 50014 2 >> 30 1 1 . . 8.191 . . 1 . . . . . . . . . . . . . . . 61 . 50014 2 >> 30 2 1 . . 121.132 . . 1 . . . . . . . . . . . . . . . 62 . 50014 2 >> 30 3 1 . . 55.784 . . 1 . . . . . . . . . . . . . . . 64 . 50014 2 >> 31 1 1 . . 7.878 . . 1 . . . . . . . . . . . . . . . 66 . 50014 2 >> 31 2 1 . . 121.581 . . 1 . . . . . . . . . . . . . . . 67 . 50014 2 >> 31 3 1 . . 45.500 . . 1 . . . . . . . . . . . . . . . 68 . 50014 2 >> 32 1 1 . . 7.878 . . 1 . . . . . . . . . . . . . . . 66 . 50014 2 >> 32 2 1 . . 121.590 . . 1 . . . . . . . . . . . . . . . 67 . 50014 2 >> 32 3 1 . . 60.157 . . 1 . . . . . . . . . . . . . . . 69 . 50014 2 >> 33 1 1 . . 7.987 . . 1 1 1 37 LEU H . . . . . . . . . . 70 . 50014 2 >> 33 2 1 . . 121.380 . . 1 1 1 37 LEU N . . . . . . . . . . 71 . 50014 2 >> 33 3 1 . . 55.569 . . 1 1 1 37 LEU CA . . . . . . . . . . 185 . 50014 2 >> 34 1 1 . . 7.988 . . 1 1 1 37 LEU H . . . . . . . . . . 70 . 50014 2 >> 34 2 1 . . 121.365 . . 1 1 1 37 LEU N . . . . . . . . . . 71 . 50014 2 >> 34 3 1 . . 45.372 . . 1 1 1 36 GLY CA . . . . . . . . . . 165 . 50014 2 >> 35 1 1 . . 7.991 . . 1 1 1 17 TRP H . . . . . . . . . . 72 . 50014 2 >> 35 2 1 . . 121.220 . . 1 1 1 17 TRP N . . . . . . . . . . 73 . 50014 2 >> 35 3 2 . . 45.334 . . 1 1 1 16 GLY CA . . . . . . . . . . 75 . 50014 2 >> 36 1 1 . . 7.992 . . 1 1 1 17 TRP H . . . . . . . . . . 72 . 50014 2 >> 36 2 1 . . 121.234 . . 1 1 1 17 TRP N . . . . . . . . . . 73 . 50014 2 >> 36 3 1 . . 57.705 . . 1 1 1 17 TRP CA . . . . . . . . . . 74 . 50014 2 >> 37 1 1 . . 8.047 . . 1 1 1 25 VAL H . . . . . . . . . . 76 . 50014 2 >> 37 2 1 . . 121.283 . . 1 1 1 25 VAL N . . . . . . . . . . 77 . 50014 2 >> 37 3 2 . . 62.481 . . 1 1 1 25 VAL CA . . . . . . . . . . 251 . 50014 2 >> 38 1 1 . . 8.047 . . 1 1 1 25 VAL H . . . . . . . . . . 76 . 50014 2 >> 38 2 1 . . 121.294 . . 1 1 1 25 VAL N . . . . . . . . . . 77 . 50014 2 >> 38 3 1 . . 56.277 . . 1 1 1 24 LYS CA . . . . . . . . . . 78 . 50014 2 >> 39 1 1 . . 8.075 . . 1 1 1 15 PHE H . . . . . . . . . . 80 . 50014 2 >> 39 2 1 . . 121.336 . . 1 1 1 15 PHE N . . . . . . . . . . 81 . 50014 2 >> 39 3 1 . . 58.580 . . 1 1 1 14 SER CA . . . . . . . . . . 157 . 50014 2 >> 40 1 1 . . 8.075 . . 1 1 1 15 PHE H . . . . . . . . . . 80 . 50014 2 >> 40 2 1 . . 121.328 . . 1 1 1 15 PHE N . . . . . . . . . . 81 . 50014 2 >> 40 3 1 . . 58.043 . . 1 1 1 15 PHE CA . . . . . . . . . . 180 . 50014 2 >> 41 1 1 . . 8.279 . . 1 1 1 9 GLU H . . . . . . . . . . 83 . 50014 2 >> 41 2 1 . . 120.956 . . 1 1 1 9 GLU N . . . . . . . . . . 84 . 50014 2 >> 41 3 1 . . 45.701 . . 1 1 1 8 GLY CA . . . . . . . . . . 175 . 50014 2 >> 42 1 1 . . 8.501 . . 1 1 1 3 MET H . . . . . . . . . . 90 . 50014 2 >> 42 2 1 . . 120.929 . . 1 1 1 3 MET N . . . . . . . . . . 91 . 50014 2 >> 42 3 2 . . 55.589 . . 1 1 1 3 MET CA . . . . . . . . . . 104 . 50014 2 >> 43 1 1 . . 8.501 . . 1 1 1 3 MET H . . . . . . . . . . 90 . 50014 2 >> 43 2 1 . . 120.972 . . 1 1 1 3 MET N . . . . . . . . . . 91 . 50014 2 >> 43 3 1 . . 62.993 . . 1 1 1 2 PRO CA . . . . . . . . . . 92 . 50014 2 >> 44 1 1 . . 8.279 . . 1 1 1 9 GLU H . . . . . . . . . . 83 . 50014 2 >> 44 2 1 . . 120.966 . . 1 1 1 9 GLU N . . . . . . . . . . 84 . 50014 2 >> 44 3 3 . . 57.237 . . 1 1 1 9 GLU CA . . . . . . . . . . 189 . 50014 2 >> 45 1 1 . . 8.279 . . 1 1 1 47 ASP H . . . . . . . . . . 85 . 50014 2 >> 45 2 1 . . 121.054 . . 1 1 1 47 ASP N . . . . . . . . . . 86 . 50014 2 >> 45 3 2 . . 56.570 . . 1 1 1 46 GLU CA . . . . . . . . . . 87 . 50014 2 >> 46 1 1 . . 8.279 . . 1 1 1 47 ASP H . . . . . . . . . . 85 . 50014 2 >> 46 2 1 . . 121.039 . . 1 1 1 47 ASP N . . . . . . . . . . 86 . 50014 2 >> 46 3 1 . . 54.378 . . 1 1 1 47 ASP CA . . . . . . . . . . 96 . 50014 2 >> 47 1 1 . . 7.957 . . 1 1 1 12 LEU H . . . . . . . . . . 97 . 50014 2 >> 47 2 1 . . 120.876 . . 1 1 1 12 LEU N . . . . . . . . . . 98 . 50014 2 >> 47 3 2 . . 55.835 . . 1 1 1 12 LEU CA . . . . . . . . . . 99 . 50014 2 >> 48 1 1 . . 7.957 . . 1 1 1 12 LEU H . . . . . . . . . . 97 . 50014 2 >> 48 2 1 . . 120.880 . . 1 1 1 12 LEU N . . . . . . . . . . 98 . 50014 2 >> 48 3 1 . . 56.041 . . 1 1 1 11 LEU CA . . . . . . . . . . 50 . 50014 2 >> 49 1 1 . . 8.072 . . 1 1 1 4 VAL H . . . . . . . . . . 101 . 50014 2 >> 49 2 1 . . 120.846 . . 1 1 1 4 VAL N . . . . . . . . . . 102 . 50014 2 >> 49 3 1 . . 55.596 . . 1 1 1 3 MET CA . . . . . . . . . . 104 . 50014 2 >> 50 1 1 . . 8.071 . . 1 1 1 4 VAL H . . . . . . . . . . 101 . 50014 2 >> 50 2 1 . . 120.836 . . 1 1 1 4 VAL N . . . . . . . . . . 102 . 50014 2 >> 50 3 2 . . 62.034 . . 1 1 1 4 VAL CA . . . . . . . . . . 103 . 50014 2 >> 51 1 1 . . 8.088 . . 1 1 1 24 LYS H . . . . . . . . . . 106 . 50014 2 >> 51 2 1 . . 120.833 . . 1 1 1 24 LYS N . . . . . . . . . . 107 . 50014 2 >> 51 3 1 . . 56.246 . . 1 1 1 24 LYS CA . . . . . . . . . . 78 . 50014 2 >> 52 1 1 . . 8.087 . . 1 1 1 24 LYS H . . . . . . . . . . 106 . 50014 2 >> 52 2 1 . . 120.834 . . 1 1 1 24 LYS N . . . . . . . . . . 107 . 50014 2 >> 52 3 2 . . 45.190 . . 1 1 1 23 GLY CA . . . . . . . . . . 108 . 50014 2 >> 53 1 1 . . 8.290 . . 1 . . . . . . . . . . . . . . . 171 . 50014 2 >> 53 2 1 . . 109.985 . . 1 . . . . . . . . . . . . . . . 172 . 50014 2 >> 53 3 1 . . 45.505 . . 1 . . . . . . . . . . . . . . . 177 . 50014 2 >> 54 1 1 . . 8.122 . . 1 1 1 31 TYR H . . . . . . . . . . 109 . 50014 2 >> 54 2 1 . . 120.634 . . 1 1 1 31 TYR N . . . . . . . . . . 110 . 50014 2 >> 54 3 2 . . 57.728 . . 1 1 1 31 TYR CA . . . . . . . . . . 111 . 50014 2 >> 55 1 1 . . 8.120 . . 1 1 1 31 TYR H . . . . . . . . . . 109 . 50014 2 >> 55 2 1 . . 120.641 . . 1 1 1 31 TYR N . . . . . . . . . . 110 . 50014 2 >> 55 3 1 . . 56.137 . . 1 1 1 30 ARG CA . . . . . . . . . . 56 . 50014 2 >> 56 1 1 . . 8.095 . . 1 1 1 6 ASP H . . . . . . . . . . 113 . 50014 2 >> 56 2 1 . . 120.510 . . 1 1 1 6 ASP N . . . . . . . . . . 114 . 50014 2 >> 56 3 2 . . 54.360 . . 1 1 1 6 ASP CA . . . . . . . . . . 116 . 50014 2 >> 57 1 1 . . 8.096 . . 1 1 1 6 ASP H . . . . . . . . . . 113 . 50014 2 >> 57 2 1 . . 120.510 . . 1 1 1 6 ASP N . . . . . . . . . . 114 . 50014 2 >> 57 3 1 . . 54.147 . . 1 1 1 5 ASP CA . . . . . . . . . . 18 . 50014 2 >> 58 1 1 . . 7.906 . . 1 1 1 20 LYS H . . . . . . . . . . 117 . 50014 2 >> 58 2 1 . . 120.186 . . 1 1 1 20 LYS N . . . . . . . . . . 118 . 50014 2 >> 58 3 2 . . 45.683 . . 1 1 1 19 GLY CA . . . . . . . . . . 119 . 50014 2 >> 59 1 1 . . 7.905 . . 1 1 1 20 LYS H . . . . . . . . . . 117 . 50014 2 >> 59 2 1 . . 120.190 . . 1 1 1 20 LYS N . . . . . . . . . . 118 . 50014 2 >> 59 3 1 . . 56.611 . . 1 1 1 20 LYS CA . . . . . . . . . . 133 . 50014 2 >> 60 1 1 . . 7.956 . . 1 1 1 13 ARG H . . . . . . . . . . 120 . 50014 2 >> 60 2 1 . . 120.251 . . 1 1 1 13 ARG N . . . . . . . . . . 121 . 50014 2 >> 60 3 2 . . 56.394 . . 1 1 1 13 ARG CA . . . . . . . . . . 122 . 50014 2 >> 61 1 1 . . 7.957 . . 1 1 1 13 ARG H . . . . . . . . . . 120 . 50014 2 >> 61 2 1 . . 120.222 . . 1 1 1 13 ARG N . . . . . . . . . . 121 . 50014 2 >> 61 3 1 . . 55.754 . . 1 1 1 12 LEU CA . . . . . . . . . . 99 . 50014 2 >> 62 1 3 . . 7.980 . . 1 1 1 42 VAL H . . . . . . . . . . 200 . 50014 2 >> 62 2 3 . . 120.218 . . 1 1 1 42 VAL N . . . . . . . . . . 201 . 50014 2 >> 62 3 2 . . 62.482 . . 1 1 1 42 VAL CA . . . . . . . . . . 205 . 50014 2 >> 63 1 2 . . 7.979 . . 1 1 1 42 VAL H . . . . . . . . . . 200 . 50014 2 >> 63 2 2 . . 120.201 . . 1 1 1 42 VAL N . . . . . . . . . . 201 . 50014 2 >> 63 3 1 . . 53.213 . . 1 1 1 41 ASN CA . . . . . . . . . . 141 . 50014 2 >> 64 1 1 . . 8.213 . . 1 1 1 7 PHE H . . . . . . . . . . 127 . 50014 2 >> 64 2 1 . . 120.370 . . 1 1 1 7 PHE N . . . . . . . . . . 128 . 50014 2 >> 64 3 2 . . 58.165 . . 1 1 1 7 PHE CA . . . . . . . . . . 129 . 50014 2 >> 65 1 1 . . 8.213 . . 1 1 1 7 PHE H . . . . . . . . . . 127 . 50014 2 >> 65 2 1 . . 120.370 . . 1 1 1 7 PHE N . . . . . . . . . . 128 . 50014 2 >> 65 3 1 . . 54.356 . . 1 1 1 6 ASP CA . . . . . . . . . . 116 . 50014 2 >> 66 1 1 . . 8.278 . . 1 1 1 21 MET H . . . . . . . . . . 131 . 50014 2 >> 66 2 1 . . 120.315 . . 1 1 1 21 MET N . . . . . . . . . . 132 . 50014 2 >> 66 3 1 . . 56.608 . . 1 1 1 20 LYS CA . . . . . . . . . . 133 . 50014 2 >> 67 1 1 . . 8.278 . . 1 1 1 21 MET H . . . . . . . . . . 131 . 50014 2 >> 67 2 1 . . 120.319 . . 1 1 1 21 MET N . . . . . . . . . . 132 . 50014 2 >> 67 3 1 . . 55.576 . . 1 1 1 21 MET CA . . . . . . . . . . 60 . 50014 2 >> 68 1 1 . . 8.357 . . 1 1 1 46 GLU H . . . . . . . . . . 135 . 50014 2 >> 68 2 1 . . 120.236 . . 1 1 1 46 GLU N . . . . . . . . . . 136 . 50014 2 >> 68 3 1 . . 56.632 . . 1 1 1 46 GLU CA . . . . . . . . . . 87 . 50014 2 >> 69 1 1 . . 8.357 . . 1 1 1 46 GLU H . . . . . . . . . . 135 . 50014 2 >> 69 2 1 . . 120.230 . . 1 1 1 46 GLU N . . . . . . . . . . 136 . 50014 2 >> 69 3 1 . . 52.477 . . 1 1 1 45 ALA CA . . . . . . . . . . 13 . 50014 2 >> 70 1 1 . . 8.392 . . 1 1 1 41 ASN H . . . . . . . . . . 138 . 50014 2 >> 70 2 1 . . 119.859 . . 1 1 1 41 ASN N . . . . . . . . . . 139 . 50014 2 >> 70 3 1 . . 56.110 . . 1 1 1 40 ARG CA . . . . . . . . . . 140 . 50014 2 >> 71 1 1 . . 8.392 . . 1 1 1 41 ASN H . . . . . . . . . . 138 . 50014 2 >> 71 2 1 . . 119.900 . . 1 1 1 41 ASN N . . . . . . . . . . 139 . 50014 2 >> 71 3 2 . . 53.212 . . 1 1 1 41 ASN CA . . . . . . . . . . 141 . 50014 2 >> 72 1 1 . . 8.206 . . 1 1 1 40 ARG H . . . . . . . . . . 143 . 50014 2 >> 72 2 1 . . 119.654 . . 1 1 1 40 ARG N . . . . . . . . . . 144 . 50014 2 >> 72 3 1 . . 56.106 . . 1 1 1 40 ARG CA . . . . . . . . . . 140 . 50014 2 >> 73 1 1 . . 8.206 . . 1 1 1 40 ARG H . . . . . . . . . . 143 . 50014 2 >> 73 2 1 . . 119.650 . . 1 1 1 40 ARG N . . . . . . . . . . 144 . 50014 2 >> 73 3 1 . . 52.486 . . 1 1 1 39 ALA CA . . . . . . . . . . 145 . 50014 2 >> 74 1 1 . . 8.405 . . 1 1 1 10 ASN H . . . . . . . . . . 147 . 50014 2 >> 74 2 1 . . 118.710 . . 1 1 1 10 ASN N . . . . . . . . . . 148 . 50014 2 >> 74 3 2 . . 54.002 . . 1 1 1 10 ASN CA . . . . . . . . . . 149 . 50014 2 >> 75 1 1 . . 8.404 . . 1 1 1 10 ASN H . . . . . . . . . . 147 . 50014 2 >> 75 2 1 . . 118.685 . . 1 1 1 10 ASN N . . . . . . . . . . 148 . 50014 2 >> 75 3 1 . . 57.281 . . 1 1 1 9 GLU CA . . . . . . . . . . 189 . 50014 2 >> 76 1 1 . . 8.255 . . 1 1 1 33 ASN H . . . . . . . . . . 151 . 50014 2 >> 76 2 1 . . 117.198 . . 1 1 1 33 ASN N . . . . . . . . . . 152 . 50014 2 >> 76 3 2 . . 53.345 . . 1 1 1 33 ASN CA . . . . . . . . . . 153 . 50014 2 >> 77 1 1 . . 8.257 . . 1 1 1 33 ASN H . . . . . . . . . . 151 . 50014 2 >> 77 2 1 . . 117.207 . . 1 1 1 33 ASN N . . . . . . . . . . 152 . 50014 2 >> 77 3 1 . . 52.731 . . 1 1 1 32 ALA CA . . . . . . . . . . 8 . 50014 2 >> 78 1 1 . . 8.001 . . 1 1 1 14 SER H . . . . . . . . . . 155 . 50014 2 >> 78 2 1 . . 115.880 . . 1 1 1 14 SER N . . . . . . . . . . 156 . 50014 2 >> 78 3 2 . . 58.582 . . 1 1 1 14 SER CA . . . . . . . . . . 157 . 50014 2 >> 79 1 1 . . 8.001 . . 1 1 1 14 SER H . . . . . . . . . . 155 . 50014 2 >> 79 2 1 . . 115.894 . . 1 1 1 14 SER N . . . . . . . . . . 156 . 50014 2 >> 79 3 1 . . 56.357 . . 1 1 1 13 ARG CA . . . . . . . . . . 122 . 50014 2 >> 80 1 1 . . 7.394 . . 1 1 1 19 GLY H . . . . . . . . . . 159 . 50014 2 >> 80 2 1 . . 108.099 . . 1 1 1 19 GLY N . . . . . . . . . . 160 . 50014 2 >> 80 3 1 . . 45.686 . . 1 1 1 19 GLY CA . . . . . . . . . . 119 . 50014 2 >> 81 1 1 . . 7.392 . . 1 1 1 19 GLY H . . . . . . . . . . 159 . 50014 2 >> 81 2 1 . . 108.119 . . 1 1 1 19 GLY N . . . . . . . . . . 160 . 50014 2 >> 81 3 2 . . 53.832 . . 1 1 1 18 ASP CA . . . . . . . . . . 161 . 50014 2 >> 82 1 1 . . 8.168 . . 1 1 1 36 GLY H . . . . . . . . . . 163 . 50014 2 >> 82 2 1 . . 107.528 . . 1 1 1 36 GLY N . . . . . . . . . . 164 . 50014 2 >> 82 3 2 . . 45.399 . . 1 1 1 36 GLY CA . . . . . . . . . . 165 . 50014 2 >> 83 1 1 . . 8.170 . . 1 1 1 36 GLY H . . . . . . . . . . 163 . 50014 2 >> 83 2 1 . . 107.536 . . 1 1 1 36 GLY N . . . . . . . . . . 164 . 50014 2 >> 83 3 1 . . 52.906 . . 1 1 1 35 ALA CA . . . . . . . . . . 22 . 50014 2 >> 84 1 1 . . 8.357 . . 1 1 1 38 GLY H . . . . . . . . . . 167 . 50014 2 >> 84 2 1 . . 109.301 . . 1 1 1 38 GLY N . . . . . . . . . . 168 . 50014 2 >> 84 3 2 . . 55.483 . . 1 1 1 37 LEU CA . . . . . . . . . . 185 . 50014 2 >> 85 1 1 . . 8.356 . . 1 1 1 38 GLY H . . . . . . . . . . 167 . 50014 2 >> 85 2 1 . . 109.293 . . 1 1 1 38 GLY N . . . . . . . . . . 168 . 50014 2 >> 85 3 1 . . 45.315 . . 1 1 1 38 GLY CA . . . . . . . . . . 26 . 50014 2 >> 86 1 1 . . 8.257 . . 1 1 1 8 GLY H . . . . . . . . . . 169 . 50014 2 >> 86 2 1 . . 109.417 . . 1 1 1 8 GLY N . . . . . . . . . . 170 . 50014 2 >> 86 3 1 . . 58.154 . . 1 1 1 15 PHE CA . . . . . . . . . . 180 . 50014 2 >> 87 1 1 . . 8.265 . . 1 1 1 8 GLY H . . . . . . . . . . 169 . 50014 2 >> 87 2 1 . . 109.292 . . 1 1 1 8 GLY N . . . . . . . . . . 170 . 50014 2 >> 88 1 1 . . 8.257 . . 1 1 1 8 GLY H . . . . . . . . . . 169 . 50014 2 >> 88 2 1 . . 109.405 . . 1 1 1 8 GLY N . . . . . . . . . . 170 . 50014 2 >> 88 3 2 . . 45.705 . . 1 1 1 8 GLY CA . . . . . . . . . . 175 . 50014 2 >> 89 1 1 . . 8.218 . . 1 1 1 16 GLY H . . . . . . . . . . 173 . 50014 2 >> 89 2 1 . . 109.875 . . 1 1 1 16 GLY N . . . . . . . . . . 174 . 50014 2 >> 89 3 1 . . 58.064 . . 1 1 1 15 PHE CA . . . . . . . . . . 180 . 50014 2 >> 90 1 1 . . 8.219 . . 1 1 1 16 GLY H . . . . . . . . . . 173 . 50014 2 >> 90 2 1 . . 109.875 . . 1 1 1 16 GLY N . . . . . . . . . . 174 . 50014 2 >> 90 3 1 . . 45.289 . . 1 1 1 16 GLY CA . . . . . . . . . . 75 . 50014 2 >> 91 1 1 . . 8.284 . . 1 1 1 23 GLY H . . . . . . . . . . 181 . 50014 2 >> 91 2 1 . . 109.700 . . 1 1 1 23 GLY N . . . . . . . . . . 182 . 50014 2 >> 91 3 1 . . 45.182 . . 1 1 1 23 GLY CA . . . . . . . . . . 108 . 50014 2 >> 92 1 1 . . 8.284 . . 1 1 1 23 GLY H . . . . . . . . . . 181 . 50014 2 >> 92 2 1 . . 109.652 . . 1 1 1 23 GLY N . . . . . . . . . . 182 . 50014 2 >> 92 3 1 . . 56.348 . . 1 1 1 22 ARG CA . . . . . . . . . . 188 . 50014 2 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_3 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label . _Number_of_spectral_dimensions . loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 N 15N 3 C 13C stop_ _Sample_label $sample_1 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_3 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_3 >> _Spectral_peak_list.Entry_ID 50014 >> _Spectral_peak_list.ID 3 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Chem_shift_reference_ID . >> _Spectral_peak_list.Chem_shift_reference_label . >> _Spectral_peak_list.Experiment_ID 3 >> _Spectral_peak_list.Experiment_name . >> _Spectral_peak_list.Experiment_class . >> _Spectral_peak_list.Experiment_type . >> _Spectral_peak_list.Number_of_spectral_dimensions . >> _Spectral_peak_list.Chemical_shift_list . >> _Spectral_peak_list.Assigned_chem_shift_list_ID 1 >> _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 1H . folded 9765.62500000 Hz . . . . . . 50014 3 >> 2 . . N 15 15N . folded 1440.32191306 Hz . . . . . . 50014 3 >> 3 . . C 13 13C . folded 9154.83955575 Hz . . . . . . 50014 3 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Restraint >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . . 50014 3 >> 2 1.0 . . 50014 3 >> 3 1.0 . . 50014 3 >> 4 1.0 . . 50014 3 >> 5 1.0 . . 50014 3 >> 6 1.0 . . 50014 3 >> 7 1.0 . . 50014 3 >> 8 1.0 . . 50014 3 >> 9 1.0 . . 50014 3 >> 10 1.0 . . 50014 3 >> 11 1.0 . . 50014 3 >> 12 1.0 . . 50014 3 >> 13 1.0 . . 50014 3 >> 14 1.0 . . 50014 3 >> 15 1.0 . . 50014 3 >> 16 1.0 . . 50014 3 >> 17 1.0 . . 50014 3 >> 18 1.0 . . 50014 3 >> 19 1.0 . . 50014 3 >> 20 1.0 . . 50014 3 >> 21 1.0 . . 50014 3 >> 22 1.0 . . 50014 3 >> 23 1.0 . . 50014 3 >> 24 1.0 . . 50014 3 >> 25 1.0 . . 50014 3 >> 26 1.0 . . 50014 3 >> 27 1.0 . . 50014 3 >> 28 1.0 . . 50014 3 >> 29 1.0 . . 50014 3 >> 30 1.0 . . 50014 3 >> 31 1.0 . . 50014 3 >> 32 1.0 . . 50014 3 >> 33 1.0 . . 50014 3 >> 34 1.0 . . 50014 3 >> 35 1.0 . . 50014 3 >> 36 1.0 . . 50014 3 >> 37 1.0 . . 50014 3 >> 38 1.0 . . 50014 3 >> 39 1.0 . . 50014 3 >> 40 1.0 . . 50014 3 >> 41 1.0 . . 50014 3 >> 42 1.0 . . 50014 3 >> 43 1.0 . . 50014 3 >> 44 1.0 . . 50014 3 >> 45 1.0 . . 50014 3 >> 46 1.0 . . 50014 3 >> 47 1.0 . . 50014 3 >> 48 1.0 . . 50014 3 >> 49 1.0 . . 50014 3 >> 50 1.0 . . 50014 3 >> 51 1.0 . . 50014 3 >> 52 1.0 . . 50014 3 >> 53 1.0 . . 50014 3 >> 54 1.0 . . 50014 3 >> 55 1.0 . . 50014 3 >> 56 1.0 . . 50014 3 >> 57 1.0 . . 50014 3 >> 58 1.0 . . 50014 3 >> 59 1.0 . . 50014 3 >> 60 1.0 . . 50014 3 >> 61 1.0 . . 50014 3 >> 62 1.0 . . 50014 3 >> 63 1.0 . . 50014 3 >> 64 1.0 . . 50014 3 >> 65 1.0 . . 50014 3 >> 66 1.0 . . 50014 3 >> 67 1.0 . . 50014 3 >> 68 1.0 . . 50014 3 >> 69 1.0 . . 50014 3 >> 70 1.0 . . 50014 3 >> 71 1.0 . . 50014 3 >> 72 1.0 . . 50014 3 >> 73 1.0 . . 50014 3 >> 74 1.0 . . 50014 3 >> 75 1.0 . . 50014 3 >> 76 1.0 . . 50014 3 >> 77 1.0 . . 50014 3 >> 78 1.0 . . 50014 3 >> 79 1.0 . . 50014 3 >> 80 1.0 . . 50014 3 >> 81 1.0 . . 50014 3 >> 82 1.0 . . 50014 3 >> 83 1.0 . . 50014 3 >> 84 1.0 . . 50014 3 >> 85 1.0 . . 50014 3 >> 86 1.0 . . 50014 3 >> 87 1.0 . . 50014 3 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 5744892.0000 . height 50014 3 >> 1 125231052.7500 . volume 50014 3 >> 2 2807263.5000 . height 50014 3 >> 2 60562245.0000 . volume 50014 3 >> 3 2935330.0000 . height 50014 3 >> 3 62870464.6250 . volume 50014 3 >> 4 3970698.5000 . height 50014 3 >> 4 85514643.7500 . volume 50014 3 >> 5 4855773.5000 . height 50014 3 >> 5 105271050.2500 . volume 50014 3 >> 6 2190116.2500 . height 50014 3 >> 6 47313478.7500 . volume 50014 3 >> 7 6053665.5000 . height 50014 3 >> 7 127808399.7500 . volume 50014 3 >> 8 5177047.5000 . height 50014 3 >> 8 109279865.7500 . volume 50014 3 >> 9 5430636.0000 . height 50014 3 >> 9 115697609.0000 . volume 50014 3 >> 10 2468556.5000 . height 50014 3 >> 10 52328890.3750 . volume 50014 3 >> 11 4987976.5000 . height 50014 3 >> 11 105579263.2500 . volume 50014 3 >> 12 4813037.0000 . height 50014 3 >> 12 102083513.7500 . volume 50014 3 >> 13 12720100.0000 . height 50014 3 >> 13 270478672.0000 . volume 50014 3 >> 14 3488827.0000 . height 50014 3 >> 14 74422911.8750 . volume 50014 3 >> 15 3325004.5000 . height 50014 3 >> 15 70510516.2500 . volume 50014 3 >> 16 5769204.5000 . height 50014 3 >> 16 122311157.7500 . volume 50014 3 >> 17 5259079.5000 . height 50014 3 >> 17 111757803.5000 . volume 50014 3 >> 18 4003904.0000 . height 50014 3 >> 18 84471379.0000 . volume 50014 3 >> 19 5584558.0000 . height 50014 3 >> 19 122049552.2500 . volume 50014 3 >> 20 8610548.0000 . height 50014 3 >> 20 184123024.5000 . volume 50014 3 >> 21 3753399.7500 . height 50014 3 >> 21 79700251.2500 . volume 50014 3 >> 22 4525276.0000 . height 50014 3 >> 22 96473424.2500 . volume 50014 3 >> 23 4396752.0000 . height 50014 3 >> 23 97644049.0000 . volume 50014 3 >> 24 4430644.0000 . height 50014 3 >> 24 94109528.0000 . volume 50014 3 >> 25 9740731.0000 . height 50014 3 >> 25 205666553.0000 . volume 50014 3 >> 26 2783470.7500 . height 50014 3 >> 26 58705825.7500 . volume 50014 3 >> 27 4664903.0000 . height 50014 3 >> 27 104289538.1250 . volume 50014 3 >> 28 3329153.0000 . height 50014 3 >> 28 70850875.2500 . volume 50014 3 >> 29 1378989.2500 . height 50014 3 >> 29 29526957.1250 . volume 50014 3 >> 30 188101.9375 . height 50014 3 >> 30 4029715.1875 . volume 50014 3 >> 31 644695.3125 . height 50014 3 >> 31 14343488.3750 . volume 50014 3 >> 32 24926258.0000 . height 50014 3 >> 32 526190337.0000 . volume 50014 3 >> 33 18273550.0000 . height 50014 3 >> 33 397967939.0000 . volume 50014 3 >> 34 14380100.0000 . height 50014 3 >> 34 321504849.0000 . volume 50014 3 >> 35 5326753.0000 . height 50014 3 >> 35 113502702.5000 . volume 50014 3 >> 36 4810457.0000 . height 50014 3 >> 36 103596656.2500 . volume 50014 3 >> 37 2821531.7500 . height 50014 3 >> 37 60980449.8750 . volume 50014 3 >> 38 5056214.0000 . height 50014 3 >> 38 112018528.5000 . volume 50014 3 >> 39 6818425.0000 . height 50014 3 >> 39 145178041.5000 . volume 50014 3 >> 40 5659761.5000 . height 50014 3 >> 40 119736370.2500 . volume 50014 3 >> 41 10339250.0000 . height 50014 3 >> 41 219450320.5000 . volume 50014 3 >> 42 3444905.2500 . height 50014 3 >> 42 73458001.2500 . volume 50014 3 >> 43 5139300.0000 . height 50014 3 >> 43 109085605.0000 . volume 50014 3 >> 44 5280587.5000 . height 50014 3 >> 44 112777527.0000 . volume 50014 3 >> 45 5103676.0000 . height 50014 3 >> 45 108963862.2500 . volume 50014 3 >> 46 6744298.5000 . height 50014 3 >> 46 144799839.0000 . volume 50014 3 >> 47 7822786.0000 . height 50014 3 >> 47 170281655.0000 . volume 50014 3 >> 48 4418627.5000 . height 50014 3 >> 48 95304403.7500 . volume 50014 3 >> 49 3585867.0000 . height 50014 3 >> 49 76736425.7500 . volume 50014 3 >> 50 3012282.0000 . height 50014 3 >> 50 64792454.7500 . volume 50014 3 >> 51 5408653.0000 . height 50014 3 >> 51 113698466.7500 . volume 50014 3 >> 52 11052414.0000 . height 50014 3 >> 52 233842976.0000 . volume 50014 3 >> 53 8726198.0000 . height 50014 3 >> 53 186692935.5000 . volume 50014 3 >> 54 4470421.5000 . height 50014 3 >> 54 96359976.0000 . volume 50014 3 >> 55 4327099.5000 . height 50014 3 >> 55 92549693.0000 . volume 50014 3 >> 56 5040317.5000 . height 50014 3 >> 56 106841841.7500 . volume 50014 3 >> 57 11762356.0000 . height 50014 3 >> 57 249467289.0000 . volume 50014 3 >> 58 4459931.5000 . height 50014 3 >> 58 94996610.2500 . volume 50014 3 >> 59 2853517.7500 . height 50014 3 >> 59 61369256.2500 . volume 50014 3 >> 60 9036713.0000 . height 50014 3 >> 60 193198830.0000 . volume 50014 3 >> 61 3107547.5000 . height 50014 3 >> 61 67270198.0000 . volume 50014 3 >> 62 7488998.0000 . height 50014 3 >> 62 160238682.0000 . volume 50014 3 >> 63 7024995.0000 . height 50014 3 >> 63 148592787.0000 . volume 50014 3 >> 64 2495365.7500 . height 50014 3 >> 64 54302539.6250 . volume 50014 3 >> 65 2173640.2500 . height 50014 3 >> 65 47096953.5000 . volume 50014 3 >> 66 4586198.5000 . height 50014 3 >> 66 98726435.7500 . volume 50014 3 >> 67 5237414.0000 . height 50014 3 >> 67 112922201.2500 . volume 50014 3 >> 68 4080775.5000 . height 50014 3 >> 68 87041852.0000 . volume 50014 3 >> 69 3376317.2500 . height 50014 3 >> 69 72360012.5000 . volume 50014 3 >> 70 2176219.0000 . height 50014 3 >> 70 46780137.8750 . volume 50014 3 >> 71 2545979.0000 . height 50014 3 >> 71 55332471.5000 . volume 50014 3 >> 72 3069680.0000 . height 50014 3 >> 72 66464332.6250 . volume 50014 3 >> 73 2494507.2500 . height 50014 3 >> 73 54032407.0000 . volume 50014 3 >> 74 2990358.7500 . height 50014 3 >> 74 64480840.8750 . volume 50014 3 >> 75 6398684.0000 . height 50014 3 >> 75 137387962.5000 . volume 50014 3 >> 76 4367510.0000 . height 50014 3 >> 76 93756900.2500 . volume 50014 3 >> 77 4523038.5000 . height 50014 3 >> 77 98256627.0000 . volume 50014 3 >> 78 4211172.0000 . height 50014 3 >> 78 90679880.7500 . volume 50014 3 >> 79 4213022.0000 . height 50014 3 >> 79 90328876.2500 . volume 50014 3 >> 80 5008926.5000 . height 50014 3 >> 80 106056308.5000 . volume 50014 3 >> 81 7270062.0000 . height 50014 3 >> 81 154892734.0000 . volume 50014 3 >> 82 11218688.0000 . height 50014 3 >> 82 239893776.5000 . volume 50014 3 >> 83 5758658.5000 . height 50014 3 >> 83 122009144.5000 . volume 50014 3 >> 84 2696471.5000 . height 50014 3 >> 84 58116518.6250 . volume 50014 3 >> 85 3642163.5000 . height 50014 3 >> 85 79250545.5000 . volume 50014 3 >> 86 2342946.0000 . height 50014 3 >> 86 51378202.2500 . volume 50014 3 >> 87 2041912.2500 . height 50014 3 >> 87 44006141.7500 . volume 50014 3 >> >> stop_ >> >> loop_ >> _Peak_char.Peak_ID >> _Peak_char.Spectral_dim_ID >> _Peak_char.Chem_shift_val >> _Peak_char.Chem_shift_val_err >> _Peak_char.Line_width_val >> _Peak_char.Line_width_val_err >> _Peak_char.Phase_val >> _Peak_char.Phase_val_err >> _Peak_char.Decay_rate_val >> _Peak_char.Decay_rate_val_err >> _Peak_char.Coupling_pattern >> _Peak_char.Bounding_box_upper_val >> _Peak_char.Bounding_box_lower_val >> _Peak_char.Bounding_box_range_val >> _Peak_char.Details >> _Peak_char.Derivation_method_ID >> _Peak_char.Entry_ID >> _Peak_char.Spectral_peak_list_ID >> >> 3 1 8.141 . 28.7199509330 . . . . . . . . . . . 50014 3 >> 3 2 124.787 . 24.7178641013 . . . . . . . . . . . 50014 3 >> 3 3 57.679 . 77.5241553328 . . . . . . . . . . . 50014 3 >> 4 1 8.141 . 28.6262365989 . . . . . . . . . . . 50014 3 >> 4 2 124.787 . 25.0922232168 . . . . . . . . . . . 50014 3 >> 4 3 38.702 . 80.8346046275 . . . . . . . . . . . 50014 3 >> 5 1 8.282 . 27.0720920525 . . . . . . . . . . . 50014 3 >> 5 2 124.646 . 29.9369034187 . . . . . . . . . . . 50014 3 >> 5 3 62.388 . 76.6390088273 . . . . . . . . . . . 50014 3 >> 6 1 8.281 . 27.1059980150 . . . . . . . . . . . 50014 3 >> 6 2 124.658 . 29.7782099229 . . . . . . . . . . . 50014 3 >> 6 3 32.734 . 75.4188203525 . . . . . . . . . . . 50014 3 >> 7 1 8.226 . 25.1212622970 . . . . . . . . . . . 50014 3 >> 7 2 124.437 . 24.4402792586 . . . . . . . . . . . 50014 3 >> 7 3 56.637 . 76.8521615459 . . . . . . . . . . . 50014 3 >> 8 1 8.226 . 25.1999881584 . . . . . . . . . . . 50014 3 >> 8 2 124.436 . 24.3084889677 . . . . . . . . . . . 50014 3 >> 8 3 30.205 . 77.0427371286 . . . . . . . . . . . 50014 3 >> 9 1 8.260 . 25.4811311606 . . . . . . . . . . . 50014 3 >> 9 2 123.619 . 24.8085537641 . . . . . . . . . . . 50014 3 >> 9 3 61.958 . 77.3260085655 . . . . . . . . . . . 50014 3 >> 10 1 8.260 . 25.9422813542 . . . . . . . . . . . 50014 3 >> 10 2 123.616 . 23.8447386688 . . . . . . . . . . . 50014 3 >> 10 3 33.091 . 77.1846115781 . . . . . . . . . . . 50014 3 >> 11 1 8.135 . 26.0875094682 . . . . . . . . . . . 50014 3 >> 11 2 123.640 . 24.4679873060 . . . . . . . . . . . 50014 3 >> 11 3 42.094 . 77.2697362478 . . . . . . . . . . . 50014 3 >> 12 1 8.135 . 26.1014793068 . . . . . . . . . . . 50014 3 >> 12 2 123.639 . 24.6003034274 . . . . . . . . . . . 50014 3 >> 12 3 55.463 . 77.1977076811 . . . . . . . . . . . 50014 3 >> 13 1 7.998 . 27.0854798146 . . . . . . . . . . . 50014 3 >> 13 2 123.561 . 24.2238517212 . . . . . . . . . . . 50014 3 >> 13 3 45.323 . 77.4091551780 . . . . . . . . . . . 50014 3 >> 14 1 8.289 . 27.0658347290 . . . . . . . . . . . 50014 3 >> 14 2 122.822 . 24.4915960219 . . . . . . . . . . . 50014 3 >> 14 3 56.476 . 77.8139066124 . . . . . . . . . . . 50014 3 >> 15 1 8.289 . 26.7389987130 . . . . . . . . . . . 50014 3 >> 15 2 122.821 . 24.0310758247 . . . . . . . . . . . 50014 3 >> 15 3 33.001 . 78.4909478556 . . . . . . . . . . . 50014 3 >> 16 1 8.362 . 25.7123610936 . . . . . . . . . . . 50014 3 >> 16 2 122.448 . 24.6226029327 . . . . . . . . . . . 50014 3 >> 16 3 56.362 . 77.7652054792 . . . . . . . . . . . 50014 3 >> 17 1 8.362 . 25.7873034570 . . . . . . . . . . . 50014 3 >> 17 2 122.445 . 24.5967621200 . . . . . . . . . . . 50014 3 >> 17 3 32.957 . 78.4429288112 . . . . . . . . . . . 50014 3 >> 18 1 8.165 . 26.4379195869 . . . . . . . . . . . 50014 3 >> 18 2 122.338 . 23.8490526251 . . . . . . . . . . . 50014 3 >> 18 3 30.410 . 78.3998208053 . . . . . . . . . . . 50014 3 >> 19 1 8.163 . 26.9996235147 . . . . . . . . . . . 50014 3 >> 19 2 122.350 . 28.8082350991 . . . . . . . . . . . 50014 3 >> 19 3 56.367 . 78.1957398664 . . . . . . . . . . . 50014 3 >> 20 1 8.094 . 27.3616751656 . . . . . . . . . . . 50014 3 >> 20 2 122.478 . 24.5153979000 . . . . . . . . . . . 50014 3 >> 20 3 38.540 . 77.8710656454 . . . . . . . . . . . 50014 3 >> 21 1 8.094 . 27.2734905593 . . . . . . . . . . . 50014 3 >> 21 2 122.475 . 24.4679658436 . . . . . . . . . . . 50014 3 >> 21 3 53.235 . 77.4809109092 . . . . . . . . . . . 50014 3 >> 22 1 8.064 . 27.0685995929 . . . . . . . . . . . 50014 3 >> 22 2 122.254 . 24.7500899985 . . . . . . . . . . . 50014 3 >> 22 3 57.650 . 76.8959516404 . . . . . . . . . . . 50014 3 >> 23 1 8.064 . 27.3113255389 . . . . . . . . . . . 50014 3 >> 23 2 122.253 . 25.4802431938 . . . . . . . . . . . 50014 3 >> 23 3 29.423 . 96.5335581380 . . . . . . . . . . . 50014 3 >> 24 1 8.017 . 26.4600384980 . . . . . . . . . . . 50014 3 >> 24 2 122.093 . 24.6340638911 . . . . . . . . . . . 50014 3 >> 24 3 53.947 . 77.5837698851 . . . . . . . . . . . 50014 3 >> 25 1 8.018 . 26.3081165031 . . . . . . . . . . . 50014 3 >> 25 2 122.091 . 24.5373540058 . . . . . . . . . . . 50014 3 >> 25 3 38.447 . 77.0754773862 . . . . . . . . . . . 50014 3 >> 26 1 8.160 . 27.6003265753 . . . . . . . . . . . 50014 3 >> 26 2 122.149 . 23.3720492516 . . . . . . . . . . . 50014 3 >> 26 3 32.838 . 77.6276963974 . . . . . . . . . . . 50014 3 >> 27 1 8.162 . 28.2248947769 . . . . . . . . . . . 50014 3 >> 27 2 122.170 . 32.2664612662 . . . . . . . . . . . 50014 3 >> 27 3 56.356 . 77.4620852611 . . . . . . . . . . . 50014 3 >> 28 1 8.203 . 27.8014340438 . . . . . . . . . . . 50014 3 >> 28 2 122.091 . 24.1425733511 . . . . . . . . . . . 50014 3 >> 28 3 55.562 . 78.1136163870 . . . . . . . . . . . 50014 3 >> 29 1 8.203 . 27.5357160717 . . . . . . . . . . . 50014 3 >> 29 2 122.090 . 24.1375725958 . . . . . . . . . . . 50014 3 >> 29 3 32.462 . 79.9582570662 . . . . . . . . . . . 50014 3 >> 30 1 8.190 . 23.4266917687 . . . . . . . . . . . 50014 3 >> 30 2 121.157 . 28.4867487759 . . . . . . . . . . . 50014 3 >> 30 3 32.408 . 68.4516935391 . . . . . . . . . . . 50014 3 >> 31 1 8.190 . 25.2760946751 . . . . . . . . . . . 50014 3 >> 31 2 121.139 . 31.9695494700 . . . . . . . . . . . 50014 3 >> 31 3 55.802 . 85.1875582907 . . . . . . . . . . . 50014 3 >> 32 1 7.880 . 25.2050813287 . . . . . . . . . . . 50014 3 >> 32 2 121.579 . 24.4125712111 . . . . . . . . . . . 50014 3 >> 32 3 45.510 . 77.3292143824 . . . . . . . . . . . 50014 3 >> 33 1 7.988 . 26.8028816208 . . . . . . . . . . . 50014 3 >> 33 2 121.336 . 27.8541639647 . . . . . . . . . . . 50014 3 >> 33 3 45.377 . 79.1970460775 . . . . . . . . . . . 50014 3 >> 34 1 7.996 . 27.4906051345 . . . . . . . . . . . 50014 3 >> 34 2 121.220 . 31.8170800903 . . . . . . . . . . . 50014 3 >> 34 3 45.371 . 78.3648978639 . . . . . . . . . . . 50014 3 >> 35 1 8.047 . 25.8299405687 . . . . . . . . . . . 50014 3 >> 35 2 121.292 . 25.2901286435 . . . . . . . . . . . 50014 3 >> 35 3 56.184 . 76.4505477196 . . . . . . . . . . . 50014 3 >> 36 1 8.046 . 25.8983345702 . . . . . . . . . . . 50014 3 >> 36 2 121.291 . 26.1463094567 . . . . . . . . . . . 50014 3 >> 36 3 33.096 . 79.2963581921 . . . . . . . . . . . 50014 3 >> 37 1 8.075 . 28.1116808765 . . . . . . . . . . . 50014 3 >> 37 2 121.352 . 26.0729936626 . . . . . . . . . . . 50014 3 >> 37 3 58.567 . 77.9818368502 . . . . . . . . . . . 50014 3 >> 38 1 8.074 . 28.9926538244 . . . . . . . . . . . 50014 3 >> 38 2 121.347 . 28.5830937993 . . . . . . . . . . . 50014 3 >> 38 3 63.757 . 80.1320532669 . . . . . . . . . . . 50014 3 >> 39 1 8.282 . 26.2838148046 . . . . . . . . . . . 50014 3 >> 39 2 121.044 . 23.8765675103 . . . . . . . . . . . 50014 3 >> 39 3 56.535 . 78.6082671119 . . . . . . . . . . . 50014 3 >> 40 1 8.282 . 25.9530497715 . . . . . . . . . . . 50014 3 >> 40 2 121.047 . 24.6808520736 . . . . . . . . . . . 50014 3 >> 40 3 30.196 . 76.8402932025 . . . . . . . . . . . 50014 3 >> 41 1 8.282 . 26.2234243564 . . . . . . . . . . . 50014 3 >> 41 2 120.952 . 24.9819705136 . . . . . . . . . . . 50014 3 >> 41 3 45.705 . 78.3250638839 . . . . . . . . . . . 50014 3 >> 42 1 8.503 . 27.3881596513 . . . . . . . . . . . 50014 3 >> 42 2 120.960 . 24.3892629697 . . . . . . . . . . . 50014 3 >> 42 3 32.297 . 78.4325610629 . . . . . . . . . . . 50014 3 >> 43 1 8.503 . 27.2564648185 . . . . . . . . . . . 50014 3 >> 43 2 120.954 . 24.1810340955 . . . . . . . . . . . 50014 3 >> 43 3 62.981 . 77.0361890771 . . . . . . . . . . . 50014 3 >> 44 1 7.957 . 25.3351754509 . . . . . . . . . . . 50014 3 >> 44 2 120.882 . 26.9515383685 . . . . . . . . . . . 50014 3 >> 44 3 55.964 . 78.1313506932 . . . . . . . . . . . 50014 3 >> 45 1 7.956 . 25.1829624176 . . . . . . . . . . . 50014 3 >> 45 2 120.889 . 27.1027629251 . . . . . . . . . . . 50014 3 >> 45 3 42.067 . 78.4999514264 . . . . . . . . . . . 50014 3 >> 46 1 8.070 . 25.9216176346 . . . . . . . . . . . 50014 3 >> 46 2 120.827 . 25.6417268106 . . . . . . . . . . . 50014 3 >> 46 3 55.610 . 79.6854215864 . . . . . . . . . . . 50014 3 >> 47 1 8.089 . 29.2097683996 . . . . . . . . . . . 50014 3 >> 47 2 120.832 . 25.9634921458 . . . . . . . . . . . 50014 3 >> 47 3 45.192 . 78.5673417900 . . . . . . . . . . . 50014 3 >> 48 1 8.071 . 26.4585833065 . . . . . . . . . . . 50014 3 >> 48 2 120.831 . 27.0455869077 . . . . . . . . . . . 50014 3 >> 48 3 32.860 . 77.4219784456 . . . . . . . . . . . 50014 3 >> 49 1 8.122 . 27.4021294899 . . . . . . . . . . . 50014 3 >> 49 2 120.635 . 25.3069981441 . . . . . . . . . . . 50014 3 >> 49 3 56.127 . 76.5842371047 . . . . . . . . . . . 50014 3 >> 50 1 8.122 . 27.7016079053 . . . . . . . . . . . 50014 3 >> 50 2 120.629 . 24.9282714162 . . . . . . . . . . . 50014 3 >> 50 3 30.874 . 79.3913049391 . . . . . . . . . . . 50014 3 >> 51 1 8.095 . 25.2190511674 . . . . . . . . . . . 50014 3 >> 51 2 120.495 . 23.9455908106 . . . . . . . . . . . 50014 3 >> 51 3 54.075 . 76.6596761149 . . . . . . . . . . . 50014 3 >> 52 1 8.095 . 25.5357008427 . . . . . . . . . . . 50014 3 >> 52 2 120.499 . 24.6612353769 . . . . . . . . . . . 50014 3 >> 52 3 41.341 . 77.4017886201 . . . . . . . . . . . 50014 3 >> 53 1 7.908 . 27.5910133496 . . . . . . . . . . . 50014 3 >> 53 2 120.194 . 24.4250194431 . . . . . . . . . . . 50014 3 >> 53 3 45.677 . 78.2290257950 . . . . . . . . . . . 50014 3 >> 54 1 7.957 . 27.1838507615 . . . . . . . . . . . 50014 3 >> 54 2 120.263 . 25.9866286874 . . . . . . . . . . . 50014 3 >> 54 3 41.810 . 78.0276732108 . . . . . . . . . . . 50014 3 >> 55 1 7.956 . 26.6972347163 . . . . . . . . . . . 50014 3 >> 55 2 120.264 . 25.5129949215 . . . . . . . . . . . 50014 3 >> 55 3 55.728 . 77.4427139420 . . . . . . . . . . . 50014 3 >> 56 1 7.980 . 25.8200452663 . . . . . . . . . . . 50014 3 >> 56 2 120.216 . 24.7038598403 . . . . . . . . . . . 50014 3 >> 56 3 53.186 . 76.7074223238 . . . . . . . . . . . 50014 3 >> 57 1 7.980 . 25.6951898336 . . . . . . . . . . . 50014 3 >> 57 2 120.212 . 24.6663863694 . . . . . . . . . . . 50014 3 >> 57 3 38.795 . 77.7155494219 . . . . . . . . . . . 50014 3 >> 58 1 8.214 . 26.0738306679 . . . . . . . . . . . 50014 3 >> 58 2 120.380 . 25.0200878585 . . . . . . . . . . . 50014 3 >> 58 3 54.331 . 77.9564631506 . . . . . . . . . . . 50014 3 >> 59 1 8.281 . 27.0786404144 . . . . . . . . . . . 50014 3 >> 59 2 120.322 . 25.8595279460 . . . . . . . . . . . 50014 3 >> 59 3 32.800 . 78.1602712540 . . . . . . . . . . . 50014 3 >> 60 1 8.215 . 26.1560489889 . . . . . . . . . . . 50014 3 >> 60 2 120.375 . 25.1329804455 . . . . . . . . . . . 50014 3 >> 60 3 41.131 . 77.6320617650 . . . . . . . . . . . 50014 3 >> 61 1 8.282 . 27.5668571703 . . . . . . . . . . . 50014 3 >> 61 2 120.342 . 25.9239153529 . . . . . . . . . . . 50014 3 >> 61 3 56.614 . 77.0754773862 . . . . . . . . . . . 50014 3 >> 62 1 8.361 . 25.7497595157 . . . . . . . . . . . 50014 3 >> 62 2 120.238 . 24.5921691517 . . . . . . . . . . . 50014 3 >> 62 3 19.383 . 82.1136573570 . . . . . . . . . . . 50014 3 >> 63 1 8.361 . 25.7571809925 . . . . . . . . . . . 50014 3 >> 63 2 120.238 . 24.5272666454 . . . . . . . . . . . 50014 3 >> 63 3 52.506 . 77.5152881797 . . . . . . . . . . . 50014 3 >> 64 1 8.397 . 30.6394940708 . . . . . . . . . . . 50014 3 >> 64 2 119.883 . 25.5631312491 . . . . . . . . . . . 50014 3 >> 64 3 56.058 . 78.9843708209 . . . . . . . . . . . 50014 3 >> 65 1 8.396 . 30.4087006953 . . . . . . . . . . . 50014 3 >> 65 2 119.874 . 25.3797559140 . . . . . . . . . . . 50014 3 >> 65 3 30.797 . 78.4876738299 . . . . . . . . . . . 50014 3 >> 66 1 8.207 . 27.7024810202 . . . . . . . . . . . 50014 3 >> 66 2 119.649 . 24.8036173962 . . . . . . . . . . . 50014 3 >> 66 3 52.487 . 79.5419101240 . . . . . . . . . . . 50014 3 >> 67 1 8.207 . 27.5387719739 . . . . . . . . . . . 50014 3 >> 67 2 119.652 . 25.0453706470 . . . . . . . . . . . 50014 3 >> 67 3 19.259 . 81.9166701406 . . . . . . . . . . . 50014 3 >> 68 1 8.409 . 27.4414196610 . . . . . . . . . . . 50014 3 >> 68 2 118.673 . 24.3470677557 . . . . . . . . . . . 50014 3 >> 68 3 57.237 . 77.7418780457 . . . . . . . . . . . 50014 3 >> 69 1 8.409 . 27.4513149634 . . . . . . . . . . . 50014 3 >> 69 2 118.673 . 24.6509763167 . . . . . . . . . . . 50014 3 >> 69 3 30.052 . 79.4464177060 . . . . . . . . . . . 50014 3 >> 70 1 8.256 . 30.5318098981 . . . . . . . . . . . 50014 3 >> 70 2 117.195 . 24.3757416143 . . . . . . . . . . . 50014 3 >> 70 3 52.711 . 77.7169135993 . . . . . . . . . . . 50014 3 >> 71 1 8.256 . 31.3461350743 . . . . . . . . . . . 50014 3 >> 71 2 117.194 . 24.7494461245 . . . . . . . . . . . 50014 3 >> 71 3 19.335 . 80.2005349723 . . . . . . . . . . . 50014 3 >> 72 1 8.000 . 29.2644836009 . . . . . . . . . . . 50014 3 >> 72 2 115.900 . 25.4745771020 . . . . . . . . . . . 50014 3 >> 72 3 56.346 . 78.6048566684 . . . . . . . . . . . 50014 3 >> 73 1 8.000 . 29.7842780128 . . . . . . . . . . . 50014 3 >> 73 2 115.890 . 25.2263851105 . . . . . . . . . . . 50014 3 >> 73 3 30.558 . 80.5874156828 . . . . . . . . . . . 50014 3 >> 74 1 7.394 . 29.6262442134 . . . . . . . . . . . 50014 3 >> 74 2 108.096 . 24.4321020579 . . . . . . . . . . . 50014 3 >> 74 3 53.892 . 78.4145539213 . . . . . . . . . . . 50014 3 >> 75 1 7.394 . 29.2199547403 . . . . . . . . . . . 50014 3 >> 75 2 108.097 . 24.6489588446 . . . . . . . . . . . 50014 3 >> 75 3 40.770 . 77.0356434061 . . . . . . . . . . . 50014 3 >> 76 1 8.167 . 29.3145421892 . . . . . . . . . . . 50014 3 >> 76 2 107.533 . 25.3115481875 . . . . . . . . . . . 50014 3 >> 76 3 52.862 . 76.3508263517 . . . . . . . . . . . 50014 3 >> 77 1 8.168 . 29.4874189422 . . . . . . . . . . . 50014 3 >> 77 2 107.531 . 25.2652751044 . . . . . . . . . . . 50014 3 >> 77 3 19.046 . 81.6209164804 . . . . . . . . . . . 50014 3 >> 78 1 8.361 . 28.6026624963 . . . . . . . . . . . 50014 3 >> 78 2 109.280 . 25.2698251478 . . . . . . . . . . . 50014 3 >> 78 3 42.263 . 77.7894878369 . . . . . . . . . . . 50014 3 >> 79 1 8.361 . 28.4791167360 . . . . . . . . . . . 50014 3 >> 79 2 109.282 . 25.0458428213 . . . . . . . . . . . 50014 3 >> 79 3 55.516 . 76.3228607150 . . . . . . . . . . . 50014 3 >> 80 1 8.259 . 26.3476977125 . . . . . . . . . . . 50014 3 >> 80 2 109.403 . 24.5440502962 . . . . . . . . . . . 50014 3 >> 80 3 58.146 . 76.1687086689 . . . . . . . . . . . 50014 3 >> 81 1 8.259 . 26.4181289822 . . . . . . . . . . . 50014 3 >> 81 2 109.403 . 24.6135886957 . . . . . . . . . . . 50014 3 >> 81 3 39.168 . 78.0407693139 . . . . . . . . . . . 50014 3 >> 82 1 8.293 . 26.3446418103 . . . . . . . . . . . 50014 3 >> 82 2 109.987 . 25.0287586960 . . . . . . . . . . . 50014 3 >> 82 3 41.194 . 77.2446353837 . . . . . . . . . . . 50014 3 >> 83 1 8.293 . 26.5277049039 . . . . . . . . . . . 50014 3 >> 83 2 109.981 . 24.7003829203 . . . . . . . . . . . 50014 3 >> 83 3 54.357 . 76.5475407327 . . . . . . . . . . . 50014 3 >> 84 1 8.219 . 29.9308157992 . . . . . . . . . . . 50014 3 >> 84 2 109.873 . 25.6443881567 . . . . . . . . . . . 50014 3 >> 84 3 58.025 . 76.6645871535 . . . . . . . . . . . 50014 3 >> 85 1 8.219 . 29.8951636069 . . . . . . . . . . . 50014 3 >> 85 2 109.879 . 25.8352324310 . . . . . . . . . . . 50014 3 >> 85 3 39.490 . 80.5759565926 . . . . . . . . . . . 50014 3 >> 86 1 8.289 . 31.1942130793 . . . . . . . . . . . 50014 3 >> 86 2 109.713 . 27.4487808503 . . . . . . . . . . . 50014 3 >> 86 3 56.358 . 77.3611361336 . . . . . . . . . . . 50014 3 >> 87 1 8.290 . 30.7617301587 . . . . . . . . . . . 50014 3 >> 87 2 109.692 . 26.1351918978 . . . . . . . . . . . 50014 3 >> 87 3 30.690 . 75.5437790023 . . . . . . . . . . . 50014 3 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Contribution_fractional_val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Ambiguity_code >> _Assigned_peak_chem_shift.Ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_ambiguity_code >> _Assigned_peak_chem_shift.Auth_ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 3 1 1 . . 8.141 . . 1 1 1 32 ALA H . . . . . . . . . . 5 . 50014 3 >> 3 2 1 . . 124.787 . . 1 1 1 32 ALA N . . . . . . . . . . 6 . 50014 3 >> 3 3 1 . . 57.679 . . 1 1 1 31 TYR CA . . . . . . . . . . 111 . 50014 3 >> 4 1 1 . . 8.141 . . 1 1 1 32 ALA H . . . . . . . . . . 5 . 50014 3 >> 4 2 1 . . 124.787 . . 1 1 1 32 ALA N . . . . . . . . . . 6 . 50014 3 >> 4 3 1 . . 38.702 . . 1 1 1 31 TYR CB . . . . . . . . . . 7 . 50014 3 >> 5 1 2 . . 8.282 . . 1 1 1 43 LYS H . . . . . . . . . . 194 . 50014 3 >> 5 2 2 . . 124.646 . . 1 1 1 43 LYS N . . . . . . . . . . 195 . 50014 3 >> 5 3 4 . . 62.388 . . 1 1 1 42 VAL CA . . . . . . . . . . 205 . 50014 3 >> 6 1 2 . . 8.281 . . 1 1 1 43 LYS H . . . . . . . . . . 194 . 50014 3 >> 6 2 2 . . 124.658 . . 1 1 1 43 LYS N . . . . . . . . . . 195 . 50014 3 >> 6 3 3 . . 32.734 . . 1 1 1 42 VAL CB . . . . . . . . . . 250 . 50014 3 >> 7 1 1 . . 8.226 . . 1 1 1 45 ALA H . . . . . . . . . . 11 . 50014 3 >> 7 2 1 . . 124.437 . . 1 1 1 45 ALA N . . . . . . . . . . 12 . 50014 3 >> 7 3 1 . . 56.637 . . 1 1 1 44 GLU CA . . . . . . . . . . 34 . 50014 3 >> 8 1 1 . . 8.226 . . 1 1 1 45 ALA H . . . . . . . . . . 11 . 50014 3 >> 8 2 1 . . 124.436 . . 1 1 1 45 ALA N . . . . . . . . . . 12 . 50014 3 >> 8 3 1 . . 30.205 . . 1 1 1 44 GLU CB . . . . . . . . . . 14 . 50014 3 >> 9 1 1 . . 8.260 . . 1 1 1 5 ASP H . . . . . . . . . . 15 . 50014 3 >> 9 2 1 . . 123.619 . . 1 1 1 5 ASP N . . . . . . . . . . 16 . 50014 3 >> 9 3 1 . . 61.958 . . 1 1 1 4 VAL CA . . . . . . . . . . 103 . 50014 3 >> 10 1 1 . . 8.260 . . 1 1 1 5 ASP H . . . . . . . . . . 15 . 50014 3 >> 10 2 1 . . 123.616 . . 1 1 1 5 ASP N . . . . . . . . . . 16 . 50014 3 >> 10 3 1 . . 33.091 . . 1 1 1 4 VAL CB . . . . . . . . . . 17 . 50014 3 >> 11 1 1 . . 8.135 . . 1 1 1 35 ALA H . . . . . . . . . . 20 . 50014 3 >> 11 2 1 . . 123.640 . . 1 1 1 35 ALA N . . . . . . . . . . 21 . 50014 3 >> 11 3 1 . . 42.094 . . 1 1 1 34 LEU CB . . . . . . . . . . 23 . 50014 3 >> 12 1 1 . . 8.135 . . 1 1 1 35 ALA H . . . . . . . . . . 20 . 50014 3 >> 12 2 1 . . 123.639 . . 1 1 1 35 ALA N . . . . . . . . . . 21 . 50014 3 >> 12 3 1 . . 55.463 . . 1 1 1 34 LEU CA . . . . . . . . . . 41 . 50014 3 >> 13 1 1 . . 7.998 . . 1 1 1 39 ALA H . . . . . . . . . . 24 . 50014 3 >> 13 2 1 . . 123.561 . . 1 1 1 39 ALA N . . . . . . . . . . 25 . 50014 3 >> 13 3 1 . . 45.323 . . 1 1 1 38 GLY CA . . . . . . . . . . 26 . 50014 3 >> 14 1 1 . . 8.289 . . 1 1 1 27 GLU H . . . . . . . . . . 27 . 50014 3 >> 14 2 1 . . 122.822 . . 1 1 1 27 GLU N . . . . . . . . . . 28 . 50014 3 >> 14 3 2 . . 56.476 . . 1 1 1 26 LYS CA . . . . . . . . . . 261 . 50014 3 >> 15 1 1 . . 8.289 . . 1 1 1 27 GLU H . . . . . . . . . . 27 . 50014 3 >> 15 2 1 . . 122.821 . . 1 1 1 27 GLU N . . . . . . . . . . 28 . 50014 3 >> 15 3 4 . . 33.001 . . 1 . . . . . . . . . . . . . . . 258 . 50014 3 >> 16 1 1 . . 8.362 . . 1 1 1 44 GLU H . . . . . . . . . . 31 . 50014 3 >> 16 2 1 . . 122.448 . . 1 1 1 44 GLU N . . . . . . . . . . 32 . 50014 3 >> 16 3 1 . . 56.362 . . 1 1 1 43 LYS CA . . . . . . . . . . 199 . 50014 3 >> 17 1 1 . . 8.362 . . 1 1 1 44 GLU H . . . . . . . . . . 31 . 50014 3 >> 17 2 1 . . 122.445 . . 1 1 1 44 GLU N . . . . . . . . . . 32 . 50014 3 >> 17 3 1 . . 32.957 . . 1 1 1 43 LYS CB . . . . . . . . . . 33 . 50014 3 >> 18 1 1 . . 8.165 . . 1 1 1 28 VAL H . . . . . . . . . . 35 . 50014 3 >> 18 2 1 . . 122.338 . . 1 1 1 28 VAL N . . . . . . . . . . 36 . 50014 3 >> 18 3 1 . . 30.410 . . 1 1 1 27 GLU CB . . . . . . . . . . 38 . 50014 3 >> 19 1 1 . . 8.163 . . 1 1 1 28 VAL H . . . . . . . . . . 35 . 50014 3 >> 19 2 1 . . 122.350 . . 1 1 1 28 VAL N . . . . . . . . . . 36 . 50014 3 >> 19 3 1 . . 56.367 . . 1 1 1 27 GLU CA . . . . . . . . . . 30 . 50014 3 >> 20 1 1 . . 8.094 . . 1 1 1 34 LEU H . . . . . . . . . . 39 . 50014 3 >> 20 2 1 . . 122.478 . . 1 1 1 34 LEU N . . . . . . . . . . 40 . 50014 3 >> 20 3 1 . . 38.540 . . 1 1 1 33 ASN CB . . . . . . . . . . 42 . 50014 3 >> 21 1 1 . . 8.094 . . 1 1 1 34 LEU H . . . . . . . . . . 39 . 50014 3 >> 21 2 1 . . 122.475 . . 1 1 1 34 LEU N . . . . . . . . . . 40 . 50014 3 >> 21 3 1 . . 53.235 . . 1 1 1 33 ASN CA . . . . . . . . . . 153 . 50014 3 >> 22 1 1 . . 8.064 . . 1 1 1 18 ASP H . . . . . . . . . . 43 . 50014 3 >> 22 2 1 . . 122.254 . . 1 1 1 18 ASP N . . . . . . . . . . 44 . 50014 3 >> 22 3 1 . . 57.650 . . 1 . . . . . . . . . . . . . . . 45 . 50014 3 >> 23 1 1 . . 8.064 . . 1 1 1 18 ASP H . . . . . . . . . . 43 . 50014 3 >> 23 2 1 . . 122.253 . . 1 1 1 18 ASP N . . . . . . . . . . 44 . 50014 3 >> 23 3 1 . . 29.423 . . 1 1 1 17 TRP CB . . . . . . . . . . 46 . 50014 3 >> 24 1 1 . . 8.017 . . 1 1 1 11 LEU H . . . . . . . . . . 47 . 50014 3 >> 24 2 1 . . 122.093 . . 1 1 1 11 LEU N . . . . . . . . . . 48 . 50014 3 >> 24 3 1 . . 53.947 . . 1 1 1 10 ASN CA . . . . . . . . . . 149 . 50014 3 >> 25 1 1 . . 8.018 . . 1 1 1 11 LEU H . . . . . . . . . . 47 . 50014 3 >> 25 2 1 . . 122.091 . . 1 1 1 11 LEU N . . . . . . . . . . 48 . 50014 3 >> 25 3 1 . . 38.447 . . 1 1 1 10 ASN CB . . . . . . . . . . 49 . 50014 3 >> 26 1 1 . . 8.160 . . 1 1 1 30 ARG H . . . . . . . . . . 51 . 50014 3 >> 26 2 1 . . 122.149 . . 1 1 1 30 ARG N . . . . . . . . . . 52 . 50014 3 >> 26 3 1 . . 32.838 . . 1 1 1 29 LYS CB . . . . . . . . . . 53 . 50014 3 >> 27 1 1 . . 8.162 . . 1 1 1 30 ARG H . . . . . . . . . . 51 . 50014 3 >> 27 2 1 . . 122.170 . . 1 1 1 30 ARG N . . . . . . . . . . 52 . 50014 3 >> 27 3 3 . . 56.356 . . 1 1 1 29 LYS CA . . . . . . . . . . 3 . 50014 3 >> 28 1 1 . . 8.203 . . 1 1 1 22 ARG H . . . . . . . . . . 57 . 50014 3 >> 28 2 1 . . 122.091 . . 1 1 1 22 ARG N . . . . . . . . . . 58 . 50014 3 >> 28 3 1 . . 55.562 . . 1 1 1 21 MET CA . . . . . . . . . . 60 . 50014 3 >> 29 1 1 . . 8.203 . . 1 1 1 22 ARG H . . . . . . . . . . 57 . 50014 3 >> 29 2 1 . . 122.090 . . 1 1 1 22 ARG N . . . . . . . . . . 58 . 50014 3 >> 29 3 1 . . 32.462 . . 1 1 1 21 MET CB . . . . . . . . . . 59 . 50014 3 >> 30 1 1 . . 8.190 . . 1 . . . . . . . . . . . . . . . 61 . 50014 3 >> 30 2 1 . . 121.157 . . 1 . . . . . . . . . . . . . . . 62 . 50014 3 >> 30 3 1 . . 32.408 . . 1 . . . . . . . . . . . . . . . 65 . 50014 3 >> 31 1 1 . . 8.190 . . 1 . . . . . . . . . . . . . . . 61 . 50014 3 >> 31 2 1 . . 121.139 . . 1 . . . . . . . . . . . . . . . 62 . 50014 3 >> 31 3 1 . . 55.802 . . 1 . . . . . . . . . . . . . . . 64 . 50014 3 >> 32 1 1 . . 7.880 . . 1 . . . . . . . . . . . . . . . 66 . 50014 3 >> 32 2 1 . . 121.579 . . 1 . . . . . . . . . . . . . . . 67 . 50014 3 >> 32 3 1 . . 45.510 . . 1 . . . . . . . . . . . . . . . 68 . 50014 3 >> 33 1 1 . . 7.988 . . 1 1 1 37 LEU H . . . . . . . . . . 70 . 50014 3 >> 33 2 1 . . 121.336 . . 1 1 1 37 LEU N . . . . . . . . . . 71 . 50014 3 >> 33 3 1 . . 45.377 . . 1 1 1 36 GLY CA . . . . . . . . . . 165 . 50014 3 >> 34 1 1 . . 7.996 . . 1 1 1 17 TRP H . . . . . . . . . . 72 . 50014 3 >> 34 2 1 . . 121.220 . . 1 1 1 17 TRP N . . . . . . . . . . 73 . 50014 3 >> 34 3 1 . . 45.371 . . 1 1 1 16 GLY CA . . . . . . . . . . 75 . 50014 3 >> 35 1 1 . . 8.047 . . 1 1 1 25 VAL H . . . . . . . . . . 76 . 50014 3 >> 35 2 1 . . 121.292 . . 1 1 1 25 VAL N . . . . . . . . . . 77 . 50014 3 >> 35 3 2 . . 56.184 . . 1 1 1 24 LYS CA . . . . . . . . . . 78 . 50014 3 >> 36 1 1 . . 8.046 . . 1 1 1 25 VAL H . . . . . . . . . . 76 . 50014 3 >> 36 2 1 . . 121.291 . . 1 1 1 25 VAL N . . . . . . . . . . 77 . 50014 3 >> 36 3 1 . . 33.096 . . 1 1 1 24 LYS CB . . . . . . . . . . 79 . 50014 3 >> 37 1 1 . . 8.075 . . 1 1 1 15 PHE H . . . . . . . . . . 80 . 50014 3 >> 37 2 1 . . 121.352 . . 1 1 1 15 PHE N . . . . . . . . . . 81 . 50014 3 >> 37 3 1 . . 58.567 . . 1 1 1 14 SER CA . . . . . . . . . . 157 . 50014 3 >> 38 1 1 . . 8.074 . . 1 1 1 15 PHE H . . . . . . . . . . 80 . 50014 3 >> 38 2 1 . . 121.347 . . 1 1 1 15 PHE N . . . . . . . . . . 81 . 50014 3 >> 38 3 1 . . 63.757 . . 1 1 1 14 SER CB . . . . . . . . . . 82 . 50014 3 >> 39 1 1 . . 8.282 . . 1 1 1 47 ASP H . . . . . . . . . . 85 . 50014 3 >> 39 2 1 . . 121.044 . . 1 1 1 47 ASP N . . . . . . . . . . 86 . 50014 3 >> 39 3 1 . . 56.535 . . 1 1 1 46 GLU CA . . . . . . . . . . 87 . 50014 3 >> 40 1 1 . . 8.282 . . 1 1 1 47 ASP H . . . . . . . . . . 85 . 50014 3 >> 40 2 1 . . 121.047 . . 1 1 1 47 ASP N . . . . . . . . . . 86 . 50014 3 >> 40 3 1 . . 30.196 . . 1 1 1 46 GLU CB . . . . . . . . . . 95 . 50014 3 >> 41 1 1 . . 8.282 . . 1 1 1 9 GLU H . . . . . . . . . . 83 . 50014 3 >> 41 2 1 . . 120.952 . . 1 1 1 9 GLU N . . . . . . . . . . 84 . 50014 3 >> 41 3 1 . . 45.705 . . 1 1 1 8 GLY CA . . . . . . . . . . 175 . 50014 3 >> 42 1 1 . . 8.503 . . 1 1 1 3 MET H . . . . . . . . . . 90 . 50014 3 >> 42 2 1 . . 120.960 . . 1 1 1 3 MET N . . . . . . . . . . 91 . 50014 3 >> 42 3 1 . . 32.297 . . 1 1 1 2 PRO CB . . . . . . . . . . 94 . 50014 3 >> 43 1 1 . . 8.503 . . 1 1 1 3 MET H . . . . . . . . . . 90 . 50014 3 >> 43 2 1 . . 120.954 . . 1 1 1 3 MET N . . . . . . . . . . 91 . 50014 3 >> 43 3 1 . . 62.981 . . 1 1 1 2 PRO CA . . . . . . . . . . 92 . 50014 3 >> 44 1 1 . . 7.957 . . 1 1 1 12 LEU H . . . . . . . . . . 97 . 50014 3 >> 44 2 1 . . 120.882 . . 1 1 1 12 LEU N . . . . . . . . . . 98 . 50014 3 >> 44 3 1 . . 55.964 . . 1 1 1 11 LEU CA . . . . . . . . . . 50 . 50014 3 >> 45 1 1 . . 7.956 . . 1 1 1 12 LEU H . . . . . . . . . . 97 . 50014 3 >> 45 2 1 . . 120.889 . . 1 1 1 12 LEU N . . . . . . . . . . 98 . 50014 3 >> 45 3 1 . . 42.067 . . 1 1 1 11 LEU CB . . . . . . . . . . 100 . 50014 3 >> 46 1 1 . . 8.070 . . 1 1 1 4 VAL H . . . . . . . . . . 101 . 50014 3 >> 46 2 1 . . 120.827 . . 1 1 1 4 VAL N . . . . . . . . . . 102 . 50014 3 >> 46 3 1 . . 55.610 . . 1 1 1 3 MET CA . . . . . . . . . . 104 . 50014 3 >> 47 1 2 . . 8.089 . . 1 1 1 24 LYS H . . . . . . . . . . 106 . 50014 3 >> 47 2 2 . . 120.832 . . 1 1 1 24 LYS N . . . . . . . . . . 107 . 50014 3 >> 47 3 1 . . 45.192 . . 1 1 1 23 GLY CA . . . . . . . . . . 108 . 50014 3 >> 48 1 1 . . 8.071 . . 1 1 1 4 VAL H . . . . . . . . . . 101 . 50014 3 >> 48 2 1 . . 120.831 . . 1 1 1 4 VAL N . . . . . . . . . . 102 . 50014 3 >> 48 3 1 . . 32.860 . . 1 1 1 3 MET CB . . . . . . . . . . 105 . 50014 3 >> 49 1 1 . . 8.122 . . 1 1 1 31 TYR H . . . . . . . . . . 109 . 50014 3 >> 49 2 1 . . 120.635 . . 1 1 1 31 TYR N . . . . . . . . . . 110 . 50014 3 >> 49 3 1 . . 56.127 . . 1 1 1 30 ARG CA . . . . . . . . . . 56 . 50014 3 >> 50 1 1 . . 8.122 . . 1 1 1 31 TYR H . . . . . . . . . . 109 . 50014 3 >> 50 2 1 . . 120.629 . . 1 1 1 31 TYR N . . . . . . . . . . 110 . 50014 3 >> 50 3 1 . . 30.874 . . 1 1 1 30 ARG CB . . . . . . . . . . 112 . 50014 3 >> 51 1 1 . . 8.095 . . 1 1 1 6 ASP H . . . . . . . . . . 113 . 50014 3 >> 51 2 1 . . 120.495 . . 1 1 1 6 ASP N . . . . . . . . . . 114 . 50014 3 >> 51 3 1 . . 54.075 . . 1 1 1 5 ASP CA . . . . . . . . . . 18 . 50014 3 >> 52 1 1 . . 8.095 . . 1 1 1 6 ASP H . . . . . . . . . . 113 . 50014 3 >> 52 2 1 . . 120.499 . . 1 1 1 6 ASP N . . . . . . . . . . 114 . 50014 3 >> 52 3 1 . . 41.341 . . 1 1 1 5 ASP CB . . . . . . . . . . 115 . 50014 3 >> 53 1 1 . . 7.908 . . 1 1 1 20 LYS H . . . . . . . . . . 117 . 50014 3 >> 53 2 1 . . 120.194 . . 1 1 1 20 LYS N . . . . . . . . . . 118 . 50014 3 >> 53 3 1 . . 45.677 . . 1 1 1 19 GLY CA . . . . . . . . . . 119 . 50014 3 >> 54 1 1 . . 7.957 . . 1 1 1 13 ARG H . . . . . . . . . . 120 . 50014 3 >> 54 2 1 . . 120.263 . . 1 1 1 13 ARG N . . . . . . . . . . 121 . 50014 3 >> 54 3 1 . . 41.810 . . 1 1 1 12 LEU CB . . . . . . . . . . 123 . 50014 3 >> 55 1 1 . . 7.956 . . 1 1 1 13 ARG H . . . . . . . . . . 120 . 50014 3 >> 55 2 1 . . 120.264 . . 1 1 1 13 ARG N . . . . . . . . . . 121 . 50014 3 >> 55 3 1 . . 55.728 . . 1 1 1 12 LEU CA . . . . . . . . . . 99 . 50014 3 >> 56 1 2 . . 7.980 . . 1 1 1 42 VAL H . . . . . . . . . . 200 . 50014 3 >> 56 2 2 . . 120.216 . . 1 1 1 42 VAL N . . . . . . . . . . 201 . 50014 3 >> 56 3 1 . . 53.186 . . 1 1 1 41 ASN CA . . . . . . . . . . 141 . 50014 3 >> 57 1 2 . . 7.980 . . 1 1 1 42 VAL H . . . . . . . . . . 200 . 50014 3 >> 57 2 2 . . 120.212 . . 1 1 1 42 VAL N . . . . . . . . . . 201 . 50014 3 >> 57 3 1 . . 38.795 . . 1 1 1 41 ASN CB . . . . . . . . . . 126 . 50014 3 >> 58 1 1 . . 8.214 . . 1 1 1 7 PHE H . . . . . . . . . . 127 . 50014 3 >> 58 2 1 . . 120.380 . . 1 1 1 7 PHE N . . . . . . . . . . 128 . 50014 3 >> 58 3 1 . . 54.331 . . 1 1 1 6 ASP CA . . . . . . . . . . 116 . 50014 3 >> 59 1 1 . . 8.281 . . 1 1 1 21 MET H . . . . . . . . . . 131 . 50014 3 >> 59 2 1 . . 120.322 . . 1 1 1 21 MET N . . . . . . . . . . 132 . 50014 3 >> 59 3 1 . . 32.800 . . 1 1 1 20 LYS CB . . . . . . . . . . 134 . 50014 3 >> 60 1 1 . . 8.215 . . 1 1 1 7 PHE H . . . . . . . . . . 127 . 50014 3 >> 60 2 1 . . 120.375 . . 1 1 1 7 PHE N . . . . . . . . . . 128 . 50014 3 >> 60 3 1 . . 41.131 . . 1 1 1 6 ASP CB . . . . . . . . . . 130 . 50014 3 >> 61 1 1 . . 8.282 . . 1 1 1 21 MET H . . . . . . . . . . 131 . 50014 3 >> 61 2 1 . . 120.342 . . 1 1 1 21 MET N . . . . . . . . . . 132 . 50014 3 >> 61 3 2 . . 56.614 . . 1 1 1 20 LYS CA . . . . . . . . . . 133 . 50014 3 >> 62 1 1 . . 8.361 . . 1 1 1 46 GLU H . . . . . . . . . . 135 . 50014 3 >> 62 2 1 . . 120.238 . . 1 1 1 46 GLU N . . . . . . . . . . 136 . 50014 3 >> 62 3 1 . . 19.383 . . 1 1 1 45 ALA CB . . . . . . . . . . 137 . 50014 3 >> 63 1 1 . . 8.361 . . 1 1 1 46 GLU H . . . . . . . . . . 135 . 50014 3 >> 63 2 1 . . 120.238 . . 1 1 1 46 GLU N . . . . . . . . . . 136 . 50014 3 >> 63 3 1 . . 52.506 . . 1 1 1 45 ALA CA . . . . . . . . . . 13 . 50014 3 >> 64 1 1 . . 8.397 . . 1 1 1 41 ASN H . . . . . . . . . . 138 . 50014 3 >> 64 2 1 . . 119.883 . . 1 1 1 41 ASN N . . . . . . . . . . 139 . 50014 3 >> 64 3 2 . . 56.058 . . 1 1 1 40 ARG CA . . . . . . . . . . 140 . 50014 3 >> 65 1 1 . . 8.396 . . 1 1 1 41 ASN H . . . . . . . . . . 138 . 50014 3 >> 65 2 1 . . 119.874 . . 1 1 1 41 ASN N . . . . . . . . . . 139 . 50014 3 >> 65 3 1 . . 30.797 . . 1 1 1 40 ARG CB . . . . . . . . . . 142 . 50014 3 >> 66 1 1 . . 8.207 . . 1 1 1 40 ARG H . . . . . . . . . . 143 . 50014 3 >> 66 2 1 . . 119.649 . . 1 1 1 40 ARG N . . . . . . . . . . 144 . 50014 3 >> 66 3 2 . . 52.487 . . 1 1 1 39 ALA CA . . . . . . . . . . 145 . 50014 3 >> 67 1 1 . . 8.207 . . 1 1 1 40 ARG H . . . . . . . . . . 143 . 50014 3 >> 67 2 1 . . 119.652 . . 1 1 1 40 ARG N . . . . . . . . . . 144 . 50014 3 >> 67 3 1 . . 19.259 . . 1 1 1 39 ALA CB . . . . . . . . . . 146 . 50014 3 >> 68 1 1 . . 8.409 . . 1 1 1 10 ASN H . . . . . . . . . . 147 . 50014 3 >> 68 2 1 . . 118.673 . . 1 1 1 10 ASN N . . . . . . . . . . 148 . 50014 3 >> 68 3 1 . . 57.237 . . 1 1 1 9 GLU CA . . . . . . . . . . 189 . 50014 3 >> 69 1 1 . . 8.409 . . 1 1 1 10 ASN H . . . . . . . . . . 147 . 50014 3 >> 69 2 1 . . 118.673 . . 1 1 1 10 ASN N . . . . . . . . . . 148 . 50014 3 >> 69 3 1 . . 30.052 . . 1 1 1 9 GLU CB . . . . . . . . . . 150 . 50014 3 >> 70 1 1 . . 8.256 . . 1 1 1 33 ASN H . . . . . . . . . . 151 . 50014 3 >> 70 2 1 . . 117.195 . . 1 1 1 33 ASN N . . . . . . . . . . 152 . 50014 3 >> 70 3 1 . . 52.711 . . 1 1 1 32 ALA CA . . . . . . . . . . 8 . 50014 3 >> 71 1 1 . . 8.256 . . 1 1 1 33 ASN H . . . . . . . . . . 151 . 50014 3 >> 71 2 1 . . 117.194 . . 1 1 1 33 ASN N . . . . . . . . . . 152 . 50014 3 >> 71 3 1 . . 19.335 . . 1 1 1 32 ALA CB . . . . . . . . . . 154 . 50014 3 >> 72 1 1 . . 8.000 . . 1 1 1 14 SER H . . . . . . . . . . 155 . 50014 3 >> 72 2 1 . . 115.900 . . 1 1 1 14 SER N . . . . . . . . . . 156 . 50014 3 >> 72 3 1 . . 56.346 . . 1 1 1 13 ARG CA . . . . . . . . . . 122 . 50014 3 >> 73 1 1 . . 8.000 . . 1 1 1 14 SER H . . . . . . . . . . 155 . 50014 3 >> 73 2 1 . . 115.890 . . 1 1 1 14 SER N . . . . . . . . . . 156 . 50014 3 >> 73 3 1 . . 30.558 . . 1 1 1 13 ARG CB . . . . . . . . . . 158 . 50014 3 >> 74 1 1 . . 7.394 . . 1 1 1 19 GLY H . . . . . . . . . . 159 . 50014 3 >> 74 2 1 . . 108.096 . . 1 1 1 19 GLY N . . . . . . . . . . 160 . 50014 3 >> 74 3 1 . . 53.892 . . 1 1 1 18 ASP CA . . . . . . . . . . 161 . 50014 3 >> 75 1 1 . . 7.394 . . 1 1 1 19 GLY H . . . . . . . . . . 159 . 50014 3 >> 75 2 1 . . 108.097 . . 1 1 1 19 GLY N . . . . . . . . . . 160 . 50014 3 >> 75 3 1 . . 40.770 . . 1 1 1 18 ASP CB . . . . . . . . . . 162 . 50014 3 >> 76 1 1 . . 8.167 . . 1 1 1 36 GLY H . . . . . . . . . . 163 . 50014 3 >> 76 2 1 . . 107.533 . . 1 1 1 36 GLY N . . . . . . . . . . 164 . 50014 3 >> 76 3 1 . . 52.862 . . 1 1 1 35 ALA CA . . . . . . . . . . 22 . 50014 3 >> 77 1 1 . . 8.168 . . 1 1 1 36 GLY H . . . . . . . . . . 163 . 50014 3 >> 77 2 1 . . 107.531 . . 1 1 1 36 GLY N . . . . . . . . . . 164 . 50014 3 >> 77 3 1 . . 19.046 . . 1 1 1 35 ALA CB . . . . . . . . . . 166 . 50014 3 >> 78 1 1 . . 8.361 . . 1 1 1 38 GLY H . . . . . . . . . . 167 . 50014 3 >> 78 2 1 . . 109.280 . . 1 1 1 38 GLY N . . . . . . . . . . 168 . 50014 3 >> 78 3 1 . . 42.263 . . 1 1 1 37 LEU CB . . . . . . . . . . 184 . 50014 3 >> 79 1 1 . . 8.361 . . 1 1 1 38 GLY H . . . . . . . . . . 167 . 50014 3 >> 79 2 1 . . 109.282 . . 1 1 1 38 GLY N . . . . . . . . . . 168 . 50014 3 >> 79 3 2 . . 55.516 . . 1 1 1 37 LEU CA . . . . . . . . . . 185 . 50014 3 >> 80 1 1 . . 8.259 . . 1 1 1 8 GLY H . . . . . . . . . . 169 . 50014 3 >> 80 2 1 . . 109.403 . . 1 1 1 8 GLY N . . . . . . . . . . 170 . 50014 3 >> 80 3 3 . . 58.146 . . 1 1 1 7 PHE CA . . . . . . . . . . 129 . 50014 3 >> 81 1 1 . . 8.259 . . 1 1 1 8 GLY H . . . . . . . . . . 169 . 50014 3 >> 81 2 1 . . 109.403 . . 1 1 1 8 GLY N . . . . . . . . . . 170 . 50014 3 >> 81 3 1 . . 39.168 . . 1 1 1 7 PHE CB . . . . . . . . . . 176 . 50014 3 >> 82 1 1 . . 8.293 . . 1 . . . . . . . . . . . . . . . 171 . 50014 3 >> 82 2 1 . . 109.987 . . 1 . . . . . . . . . . . . . . . 172 . 50014 3 >> 82 3 1 . . 41.194 . . 1 . . . . . . . . . . . . . . . 179 . 50014 3 >> 83 1 1 . . 8.293 . . 1 . . . . . . . . . . . . . . . 171 . 50014 3 >> 83 2 1 . . 109.981 . . 1 . . . . . . . . . . . . . . . 172 . 50014 3 >> 83 3 1 . . 54.357 . . 1 . . . . . . . . . . . . . . . 178 . 50014 3 >> 84 1 1 . . 8.219 . . 1 1 1 16 GLY H . . . . . . . . . . 173 . 50014 3 >> 84 2 1 . . 109.873 . . 1 1 1 16 GLY N . . . . . . . . . . 174 . 50014 3 >> 84 3 2 . . 58.025 . . 1 1 1 15 PHE CA . . . . . . . . . . 180 . 50014 3 >> 85 1 1 . . 8.219 . . 1 1 1 16 GLY H . . . . . . . . . . 173 . 50014 3 >> 85 2 1 . . 109.879 . . 1 1 1 16 GLY N . . . . . . . . . . 174 . 50014 3 >> 85 3 1 . . 39.490 . . 1 1 1 15 PHE CB . . . . . . . . . . 191 . 50014 3 >> 86 1 1 . . 8.289 . . 1 1 1 23 GLY H . . . . . . . . . . 181 . 50014 3 >> 86 2 1 . . 109.713 . . 1 1 1 23 GLY N . . . . . . . . . . 182 . 50014 3 >> 86 3 2 . . 56.358 . . 1 1 1 22 ARG CA . . . . . . . . . . 188 . 50014 3 >> 87 1 1 . . 8.290 . . 1 1 1 23 GLY H . . . . . . . . . . 181 . 50014 3 >> 87 2 1 . . 109.692 . . 1 1 1 23 GLY N . . . . . . . . . . 182 . 50014 3 >> 87 3 1 . . 30.690 . . 1 1 1 22 ARG CB . . . . . . . . . . 187 . 50014 3 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_4 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label . _Number_of_spectral_dimensions . loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 N 15N 3 C 13C stop_ _Sample_label $sample_1 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_4 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_4 >> _Spectral_peak_list.Entry_ID 50014 >> _Spectral_peak_list.ID 4 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Chem_shift_reference_ID . >> _Spectral_peak_list.Chem_shift_reference_label . >> _Spectral_peak_list.Experiment_ID 4 >> _Spectral_peak_list.Experiment_name . >> _Spectral_peak_list.Experiment_class . >> _Spectral_peak_list.Experiment_type . >> _Spectral_peak_list.Number_of_spectral_dimensions . >> _Spectral_peak_list.Chemical_shift_list . >> _Spectral_peak_list.Assigned_chem_shift_list_ID 1 >> _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 1H . folded 8389.26174497 Hz . . . . . . 50014 4 >> 2 . . N 15 15N . folded 1440.32191306 Hz . . . . . . 50014 4 >> 3 . . C 13 13C . folded 9154.83497851 Hz . . . . . . 50014 4 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Restraint >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . . 50014 4 >> 2 1.0 . . 50014 4 >> 3 1.0 . . 50014 4 >> 4 1.0 . . 50014 4 >> 5 1.0 . . 50014 4 >> 6 1.0 . . 50014 4 >> 7 1.0 . . 50014 4 >> 8 1.0 . . 50014 4 >> 9 1.0 . . 50014 4 >> 10 1.0 . . 50014 4 >> 11 1.0 . . 50014 4 >> 12 1.0 . . 50014 4 >> 13 1.0 . . 50014 4 >> 14 1.0 . . 50014 4 >> 15 1.0 . . 50014 4 >> 16 1.0 . . 50014 4 >> 17 1.0 . . 50014 4 >> 18 1.0 . . 50014 4 >> 19 1.0 . . 50014 4 >> 20 1.0 . . 50014 4 >> 21 1.0 . . 50014 4 >> 22 1.0 . . 50014 4 >> 23 1.0 . . 50014 4 >> 24 1.0 . . 50014 4 >> 25 1.0 . . 50014 4 >> 26 1.0 . . 50014 4 >> 27 1.0 . . 50014 4 >> 28 1.0 . . 50014 4 >> 29 1.0 . . 50014 4 >> 30 1.0 . . 50014 4 >> 31 1.0 . . 50014 4 >> 32 1.0 . . 50014 4 >> 33 1.0 . . 50014 4 >> 34 1.0 . . 50014 4 >> 35 1.0 . . 50014 4 >> 36 1.0 . . 50014 4 >> 37 1.0 . . 50014 4 >> 38 1.0 . . 50014 4 >> 39 1.0 . . 50014 4 >> 40 1.0 . . 50014 4 >> 41 1.0 . . 50014 4 >> 42 1.0 . . 50014 4 >> 43 1.0 . . 50014 4 >> 44 1.0 . . 50014 4 >> 45 1.0 . . 50014 4 >> 46 1.0 . . 50014 4 >> 47 1.0 . . 50014 4 >> 48 1.0 . . 50014 4 >> 49 1.0 . . 50014 4 >> 50 1.0 . . 50014 4 >> 51 1.0 . . 50014 4 >> 52 1.0 . . 50014 4 >> 53 1.0 . . 50014 4 >> 54 1.0 . . 50014 4 >> 55 1.0 . . 50014 4 >> 56 1.0 . . 50014 4 >> 57 1.0 . . 50014 4 >> 58 1.0 . . 50014 4 >> 59 1.0 . . 50014 4 >> 60 1.0 . . 50014 4 >> 61 1.0 . . 50014 4 >> 62 1.0 . . 50014 4 >> 63 1.0 . . 50014 4 >> 64 1.0 . . 50014 4 >> 65 1.0 . . 50014 4 >> 66 1.0 . . 50014 4 >> 67 1.0 . . 50014 4 >> 68 1.0 . . 50014 4 >> 69 1.0 . . 50014 4 >> 70 1.0 . . 50014 4 >> 71 1.0 . . 50014 4 >> 72 1.0 . . 50014 4 >> 73 1.0 . . 50014 4 >> 74 1.0 . . 50014 4 >> 75 1.0 . . 50014 4 >> 76 1.0 . . 50014 4 >> 77 1.0 . . 50014 4 >> 78 1.0 . . 50014 4 >> 79 1.0 . . 50014 4 >> 80 1.0 . . 50014 4 >> 81 1.0 . . 50014 4 >> 82 1.0 . . 50014 4 >> 83 1.0 . . 50014 4 >> 84 1.0 . . 50014 4 >> 85 1.0 . . 50014 4 >> 86 1.0 . . 50014 4 >> 87 1.0 . . 50014 4 >> 88 1.0 . . 50014 4 >> 89 1.0 . . 50014 4 >> 90 1.0 . . 50014 4 >> 91 1.0 . . 50014 4 >> 92 1.0 . . 50014 4 >> 93 1.0 . . 50014 4 >> 94 1.0 . . 50014 4 >> 95 1.0 . . 50014 4 >> 96 1.0 . . 50014 4 >> 97 1.0 . . 50014 4 >> 98 1.0 . . 50014 4 >> 99 1.0 . . 50014 4 >> 100 1.0 . . 50014 4 >> 101 1.0 . . 50014 4 >> 102 1.0 . . 50014 4 >> 103 1.0 . . 50014 4 >> 104 1.0 . . 50014 4 >> 105 1.0 . . 50014 4 >> 106 1.0 . . 50014 4 >> 107 1.0 . . 50014 4 >> 108 1.0 . . 50014 4 >> 109 1.0 . . 50014 4 >> 110 1.0 . . 50014 4 >> 111 1.0 . . 50014 4 >> 112 1.0 . . 50014 4 >> 113 1.0 . . 50014 4 >> 114 1.0 . . 50014 4 >> 115 1.0 . . 50014 4 >> 116 1.0 . . 50014 4 >> 117 1.0 . . 50014 4 >> 118 1.0 . . 50014 4 >> 119 1.0 . . 50014 4 >> 120 1.0 . . 50014 4 >> 121 1.0 . . 50014 4 >> 122 1.0 . . 50014 4 >> 123 1.0 . . 50014 4 >> 124 1.0 . . 50014 4 >> 125 1.0 . . 50014 4 >> 126 1.0 . . 50014 4 >> 127 1.0 . . 50014 4 >> 128 1.0 . . 50014 4 >> 129 1.0 . . 50014 4 >> 130 1.0 . . 50014 4 >> 131 1.0 . . 50014 4 >> 132 1.0 . . 50014 4 >> 133 1.0 . . 50014 4 >> 134 1.0 . . 50014 4 >> 135 1.0 . . 50014 4 >> 136 1.0 . . 50014 4 >> 137 1.0 . . 50014 4 >> 138 1.0 . . 50014 4 >> 139 1.0 . . 50014 4 >> 140 1.0 . . 50014 4 >> 141 1.0 . . 50014 4 >> 142 1.0 . . 50014 4 >> 143 1.0 . . 50014 4 >> 144 1.0 . . 50014 4 >> 145 1.0 . . 50014 4 >> 146 1.0 . . 50014 4 >> 147 1.0 . . 50014 4 >> 148 1.0 . . 50014 4 >> 149 1.0 . . 50014 4 >> 150 1.0 . . 50014 4 >> 151 1.0 . . 50014 4 >> 152 1.0 . . 50014 4 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 688031.68750 . height 50014 4 >> 1 14807426.12500 . volume 50014 4 >> 2 3605531.25000 . height 50014 4 >> 2 78084666.12500 . volume 50014 4 >> 3 -5273567.00000 . height 50014 4 >> 3 -114716606.25000 . volume 50014 4 >> 4 -772339.37500 . height 50014 4 >> 4 -16642180.21880 . volume 50014 4 >> 5 2143709.00000 . height 50014 4 >> 5 48732527.62500 . volume 50014 4 >> 6 649171.87500 . height 50014 4 >> 6 17390300.15620 . volume 50014 4 >> 7 -2148739.00000 . height 50014 4 >> 7 -47786443.12500 . volume 50014 4 >> 8 1371492.75000 . height 50014 4 >> 8 29595988.50000 . volume 50014 4 >> 9 -2075750.00000 . height 50014 4 >> 9 -46494583.25000 . volume 50014 4 >> 10 -557088.00000 . height 50014 4 >> 10 -12346042.53120 . volume 50014 4 >> 11 581868.25000 . height 50014 4 >> 11 12480906.71880 . volume 50014 4 >> 12 3270157.75000 . height 50014 4 >> 12 71819313.25000 . volume 50014 4 >> 13 946282.87500 . height 50014 4 >> 13 20527390.87500 . volume 50014 4 >> 14 -1074226.50000 . height 50014 4 >> 14 -23233724.50000 . volume 50014 4 >> 15 -2739212.50000 . height 50014 4 >> 15 -61543971.75000 . volume 50014 4 >> 16 -3070429.25000 . height 50014 4 >> 16 -71324409.25000 . volume 50014 4 >> 17 -4552262.50000 . height 50014 4 >> 17 -101338010.25000 . volume 50014 4 >> 18 4731338.50000 . height 50014 4 >> 18 104292257.50000 . volume 50014 4 >> 19 2538650.50000 . height 50014 4 >> 19 61506815.87500 . volume 50014 4 >> 20 -1573710.25000 . height 50014 4 >> 20 -34609015.37500 . volume 50014 4 >> 21 -2889272.25000 . height 50014 4 >> 21 -63044537.37500 . volume 50014 4 >> 22 1026772.75000 . height 50014 4 >> 22 22267739.12500 . volume 50014 4 >> 23 3125704.50000 . height 50014 4 >> 23 68099239.62500 . volume 50014 4 >> 24 2155263.50000 . height 50014 4 >> 24 46738851.25000 . volume 50014 4 >> 25 966972.62500 . height 50014 4 >> 25 21110978.50000 . volume 50014 4 >> 26 -2934624.25000 . height 50014 4 >> 26 -64307372.25000 . volume 50014 4 >> 27 -884244.37500 . height 50014 4 >> 27 -18867683.81250 . volume 50014 4 >> 28 3315629.00000 . height 50014 4 >> 28 71557009.37500 . volume 50014 4 >> 29 3171736.75000 . height 50014 4 >> 29 68488542.12500 . volume 50014 4 >> 30 -3817637.75000 . height 50014 4 >> 30 -84716677.50000 . volume 50014 4 >> 31 -1317491.00000 . height 50014 4 >> 31 -28416313.25000 . volume 50014 4 >> 32 10152611.00000 . height 50014 4 >> 32 218146037.00000 . volume 50014 4 >> 33 1195692.12500 . height 50014 4 >> 33 25927151.50000 . volume 50014 4 >> 34 4614154.50000 . height 50014 4 >> 34 98614102.00000 . volume 50014 4 >> 35 1354806.25000 . height 50014 4 >> 35 28661762.56250 . volume 50014 4 >> 36 -1881601.50000 . height 50014 4 >> 36 -41114077.25000 . volume 50014 4 >> 37 -4869825.50000 . height 50014 4 >> 37 -105418990.00000 . volume 50014 4 >> 38 4503710.50000 . height 50014 4 >> 38 98996769.25000 . volume 50014 4 >> 39 3697307.75000 . height 50014 4 >> 39 82908537.37500 . volume 50014 4 >> 40 -6502354.50000 . height 50014 4 >> 40 -145590819.50000 . volume 50014 4 >> 41 -4791155.00000 . height 50014 4 >> 41 -110399035.50000 . volume 50014 4 >> 42 -1311012.12500 . height 50014 4 >> 42 -28824987.93750 . volume 50014 4 >> 43 -4349389.00000 . height 50014 4 >> 43 -95825878.50000 . volume 50014 4 >> 44 3370732.75000 . height 50014 4 >> 44 73805349.75000 . volume 50014 4 >> 45 1801030.25000 . height 50014 4 >> 45 39525223.93750 . volume 50014 4 >> 46 4472366.50000 . height 50014 4 >> 46 96888099.00000 . volume 50014 4 >> 47 1721157.75000 . height 50014 4 >> 47 36457548.25000 . volume 50014 4 >> 48 -5073197.00000 . height 50014 4 >> 48 -114753324.50000 . volume 50014 4 >> 49 -5073197.00000 . height 50014 4 >> 49 -114753324.50000 . volume 50014 4 >> 50 -1832871.62500 . height 50014 4 >> 50 -41061142.75000 . volume 50014 4 >> 51 -1382426.75000 . height 50014 4 >> 51 -32178939.37500 . volume 50014 4 >> 52 1540321.50000 . height 50014 4 >> 52 33233511.68750 . volume 50014 4 >> 53 2456535.50000 . height 50014 4 >> 53 53523825.50000 . volume 50014 4 >> 54 4465254.00000 . height 50014 4 >> 54 97341673.75000 . volume 50014 4 >> 55 -628236.75000 . height 50014 4 >> 55 -13890271.03120 . volume 50014 4 >> 56 600980.56250 . height 50014 4 >> 56 13085357.96880 . volume 50014 4 >> 57 -2140432.00000 . height 50014 4 >> 57 -47966755.50000 . volume 50014 4 >> 58 2751719.50000 . height 50014 4 >> 58 60829103.37500 . volume 50014 4 >> 59 -3119082.50000 . height 50014 4 >> 59 -68138579.00000 . volume 50014 4 >> 60 2146391.50000 . height 50014 4 >> 60 46652286.50000 . volume 50014 4 >> 61 981838.75000 . height 50014 4 >> 61 21807265.68750 . volume 50014 4 >> 62 -915421.37500 . height 50014 4 >> 62 -20175538.31250 . volume 50014 4 >> 63 5812889.50000 . height 50014 4 >> 63 125510123.00000 . volume 50014 4 >> 64 617511.12500 . height 50014 4 >> 64 13570448.75000 . volume 50014 4 >> 65 -921873.75000 . height 50014 4 >> 65 -19857014.93750 . volume 50014 4 >> 66 2162763.25000 . height 50014 4 >> 66 46419721.75000 . volume 50014 4 >> 67 -2394777.50000 . height 50014 4 >> 67 -54100672.50000 . volume 50014 4 >> 68 2959271.50000 . height 50014 4 >> 68 64273297.50000 . volume 50014 4 >> 69 -1499975.75000 . height 50014 4 >> 69 -34798085.00000 . volume 50014 4 >> 70 1122222.75000 . height 50014 4 >> 70 23306356.06250 . volume 50014 4 >> 71 2324997.50000 . height 50014 4 >> 71 52650847.50000 . volume 50014 4 >> 72 -1707826.87500 . height 50014 4 >> 72 -38428500.87500 . volume 50014 4 >> 73 2118774.25000 . height 50014 4 >> 73 46740268.25000 . volume 50014 4 >> 74 692546.87500 . height 50014 4 >> 74 15166540.03120 . volume 50014 4 >> 75 -271976.28125 . height 50014 4 >> 75 -6475813.12500 . volume 50014 4 >> 76 621105.87500 . height 50014 4 >> 76 13361229.68750 . volume 50014 4 >> 77 -453799.25000 . height 50014 4 >> 77 -10422835.62500 . volume 50014 4 >> 78 3827217.00000 . height 50014 4 >> 78 97357865.75000 . volume 50014 4 >> 79 2074751.37500 . height 50014 4 >> 79 45866197.62500 . volume 50014 4 >> 80 1827614.25000 . height 50014 4 >> 80 41943042.62500 . volume 50014 4 >> 81 -3214401.50000 . height 50014 4 >> 81 -73550097.50000 . volume 50014 4 >> 82 1455482.25000 . height 50014 4 >> 82 31145575.81250 . volume 50014 4 >> 83 4274670.50000 . height 50014 4 >> 83 91989483.50000 . volume 50014 4 >> 84 -4326278.50000 . height 50014 4 >> 84 -97084431.00000 . volume 50014 4 >> 85 1727798.00000 . height 50014 4 >> 85 37835873.37500 . volume 50014 4 >> 86 4017058.75000 . height 50014 4 >> 86 87191237.50000 . volume 50014 4 >> 87 3114035.75000 . height 50014 4 >> 87 67406656.75000 . volume 50014 4 >> 88 2885805.00000 . height 50014 4 >> 88 62033653.62500 . volume 50014 4 >> 89 -3279024.50000 . height 50014 4 >> 89 -70552098.62500 . volume 50014 4 >> 90 785321.37500 . height 50014 4 >> 90 17204303.71880 . volume 50014 4 >> 91 6913587.50000 . height 50014 4 >> 91 149419640.25000 . volume 50014 4 >> 92 -871847.81250 . height 50014 4 >> 92 -18721108.81250 . volume 50014 4 >> 93 -3179167.00000 . height 50014 4 >> 93 -70008332.00000 . volume 50014 4 >> 94 3171654.50000 . height 50014 4 >> 94 68501325.75000 . volume 50014 4 >> 95 4758344.50000 . height 50014 4 >> 95 103726558.25000 . volume 50014 4 >> 96 5605877.50000 . height 50014 4 >> 96 121630087.25000 . volume 50014 4 >> 97 886435.56250 . height 50014 4 >> 97 19277862.56250 . volume 50014 4 >> 98 -943268.75000 . height 50014 4 >> 98 -20419344.68750 . volume 50014 4 >> 99 -3941515.50000 . height 50014 4 >> 99 -84879730.50000 . volume 50014 4 >> 100 -1105804.37500 . height 50014 4 >> 100 -24298243.87500 . volume 50014 4 >> 101 3638053.50000 . height 50014 4 >> 101 79129208.87500 . volume 50014 4 >> 102 1124134.75000 . height 50014 4 >> 102 24609565.56250 . volume 50014 4 >> 103 -2453158.50000 . height 50014 4 >> 103 -54270274.87500 . volume 50014 4 >> 104 2719995.50000 . height 50014 4 >> 104 58878611.75000 . volume 50014 4 >> 105 778430.12500 . height 50014 4 >> 105 17280484.00000 . volume 50014 4 >> 106 -1342445.12500 . height 50014 4 >> 106 -29368242.68750 . volume 50014 4 >> 107 964697.00000 . height 50014 4 >> 107 22364964.37500 . volume 50014 4 >> 108 -1450246.75000 . height 50014 4 >> 108 -32109081.50000 . volume 50014 4 >> 109 -583205.06250 . height 50014 4 >> 109 -12692214.68750 . volume 50014 4 >> 110 2036688.25000 . height 50014 4 >> 110 44097687.00000 . volume 50014 4 >> 111 -661663.37500 . height 50014 4 >> 111 -14366387.12500 . volume 50014 4 >> 112 -2046710.75000 . height 50014 4 >> 112 -44988285.12500 . volume 50014 4 >> 113 2459317.50000 . height 50014 4 >> 113 53331791.87500 . volume 50014 4 >> 114 -2277681.50000 . height 50014 4 >> 114 -50521584.12500 . volume 50014 4 >> 115 -874811.75000 . height 50014 4 >> 115 -19212720.34380 . volume 50014 4 >> 116 1146464.12500 . height 50014 4 >> 116 25739289.43750 . volume 50014 4 >> 117 2525092.25000 . height 50014 4 >> 117 55096229.37500 . volume 50014 4 >> 118 1108317.75000 . height 50014 4 >> 118 23977838.87500 . volume 50014 4 >> 119 -1332638.00000 . height 50014 4 >> 119 -28949858.75000 . volume 50014 4 >> 120 -2133992.50000 . height 50014 4 >> 120 -47211225.37500 . volume 50014 4 >> 121 -475110.96875 . height 50014 4 >> 121 -10834953.53120 . volume 50014 4 >> 122 564521.00000 . height 50014 4 >> 122 12314220.96880 . volume 50014 4 >> 123 -1361996.50000 . height 50014 4 >> 123 -30387976.62500 . volume 50014 4 >> 124 1009432.81250 . height 50014 4 >> 124 22053511.25000 . volume 50014 4 >> 125 -2824892.25000 . height 50014 4 >> 125 -63711736.50000 . volume 50014 4 >> 126 4569188.50000 . height 50014 4 >> 126 98298685.25000 . volume 50014 4 >> 127 1254104.00000 . height 50014 4 >> 127 27367174.37500 . volume 50014 4 >> 128 -1990380.37500 . height 50014 4 >> 128 -43520955.25000 . volume 50014 4 >> 129 -1947665.00000 . height 50014 4 >> 129 -47444367.93750 . volume 50014 4 >> 130 -5094679.00000 . height 50014 4 >> 130 -110357737.25000 . volume 50014 4 >> 131 -1623585.87500 . height 50014 4 >> 131 -35165545.50000 . volume 50014 4 >> 132 5027904.50000 . height 50014 4 >> 132 109794209.25000 . volume 50014 4 >> 133 1857195.25000 . height 50014 4 >> 133 40069553.12500 . volume 50014 4 >> 134 2048034.75000 . height 50014 4 >> 134 43869083.37500 . volume 50014 4 >> 135 4172790.75000 . height 50014 4 >> 135 89656240.00000 . volume 50014 4 >> 136 -2007133.75000 . height 50014 4 >> 136 -43416438.62500 . volume 50014 4 >> 137 -3466447.25000 . height 50014 4 >> 137 -76965873.00000 . volume 50014 4 >> 138 1466845.87500 . height 50014 4 >> 138 32839912.25000 . volume 50014 4 >> 139 -3769654.25000 . height 50014 4 >> 139 -83153903.75000 . volume 50014 4 >> 140 -1594409.25000 . height 50014 4 >> 140 -34978430.25000 . volume 50014 4 >> 141 5491243.00000 . height 50014 4 >> 141 119739383.75000 . volume 50014 4 >> 142 -2601100.50000 . height 50014 4 >> 142 -58907458.37500 . volume 50014 4 >> 143 3790544.00000 . height 50014 4 >> 143 81613506.75000 . volume 50014 4 >> 144 -1933669.50000 . height 50014 4 >> 144 -45206005.12500 . volume 50014 4 >> 145 3116120.75000 . height 50014 4 >> 145 70677389.87500 . volume 50014 4 >> 146 1995539.00000 . height 50014 4 >> 146 44639716.12500 . volume 50014 4 >> 147 3775349.25000 . height 50014 4 >> 147 84847556.50000 . volume 50014 4 >> 148 -4375829.50000 . height 50014 4 >> 148 -99460101.00000 . volume 50014 4 >> 149 -2469856.25000 . height 50014 4 >> 149 -55040411.62500 . volume 50014 4 >> 150 -986637.37500 . height 50014 4 >> 150 -21403161.18750 . volume 50014 4 >> 151 3743754.50000 . height 50014 4 >> 151 82752560.00000 . volume 50014 4 >> 152 -4324680.00000 . height 50014 4 >> 152 -100319496.00000 . volume 50014 4 >> >> stop_ >> >> loop_ >> _Peak_char.Peak_ID >> _Peak_char.Spectral_dim_ID >> _Peak_char.Chem_shift_val >> _Peak_char.Chem_shift_val_err >> _Peak_char.Line_width_val >> _Peak_char.Line_width_val_err >> _Peak_char.Phase_val >> _Peak_char.Phase_val_err >> _Peak_char.Decay_rate_val >> _Peak_char.Decay_rate_val_err >> _Peak_char.Coupling_pattern >> _Peak_char.Bounding_box_upper_val >> _Peak_char.Bounding_box_lower_val >> _Peak_char.Bounding_box_range_val >> _Peak_char.Details >> _Peak_char.Derivation_method_ID >> _Peak_char.Entry_ID >> _Peak_char.Spectral_peak_list_ID >> >> 1 1 8.142 . 24.1143791468 . . . . . . . . . . . 50014 4 >> 1 2 124.792 . 24.8188557492 . . . . . . . . . . . 50014 4 >> 1 3 57.751 . 83.2121878121 . . . . . . . . . . . 50014 4 >> 2 1 8.280 . 22.5756342379 . . . . . . . . . . . 50014 4 >> 2 2 121.056 . 24.5032716051 . . . . . . . . . . . 50014 4 >> 2 3 54.431 . 84.5462162239 . . . . . . . . . . . 50014 4 >> 3 1 8.278 . 23.0669225222 . . . . . . . . . . . 50014 4 >> 3 2 121.050 . 24.9642854391 . . . . . . . . . . . 50014 4 >> 3 3 41.197 . 91.4964237625 . . . . . . . . . . . 50014 4 >> 4 1 8.075 . 22.2049803542 . . . . . . . . . . . 50014 4 >> 4 2 121.355 . 24.9746518117 . . . . . . . . . . . 50014 4 >> 4 3 63.718 . 92.4938074649 . . . . . . . . . . . 50014 4 >> 5 1 8.074 . 26.7662107944 . . . . . . . . . . . 50014 4 >> 5 2 121.335 . 27.8944919440 . . . . . . . . . . . 50014 4 >> 5 3 58.111 . 94.9247362705 . . . . . . . . . . . 50014 4 >> 6 1 8.073 . 26.2919238350 . . . . . . . . . . . 50014 4 >> 6 2 121.340 . 29.6749110596 . . . . . . . . . . . 50014 4 >> 6 3 58.558 . 188.9038252410 . . . . . . . . . . . 50014 4 >> 7 1 8.075 . 25.7456312644 . . . . . . . . . . . 50014 4 >> 7 2 121.321 . 27.7662107668 . . . . . . . . . . . 50014 4 >> 7 3 39.489 . 90.8607174123 . . . . . . . . . . . 50014 4 >> 8 1 8.001 . 25.4249812773 . . . . . . . . . . . 50014 4 >> 8 2 115.890 . 23.8566503391 . . . . . . . . . . . 50014 4 >> 8 3 58.571 . 90.8043769139 . . . . . . . . . . . 50014 4 >> 9 1 8.000 . 25.9919004552 . . . . . . . . . . . 50014 4 >> 9 2 115.892 . 25.3739610474 . . . . . . . . . . . 50014 4 >> 9 3 63.742 . 96.6936642196 . . . . . . . . . . . 50014 4 >> 10 1 8.001 . 27.2787507348 . . . . . . . . . . . 50014 4 >> 10 2 115.899 . 23.3343396936 . . . . . . . . . . . 50014 4 >> 10 3 30.515 . 111.4292282830 . . . . . . . . . . . 50014 4 >> 11 1 8.001 . 26.7307080278 . . . . . . . . . . . 50014 4 >> 11 2 115.901 . 23.1151649602 . . . . . . . . . . . 50014 4 >> 11 3 56.393 . 86.6023033720 . . . . . . . . . . . 50014 4 >> 12 1 7.957 . 24.0866269841 . . . . . . . . . . . 50014 4 >> 12 2 120.273 . 25.5517990655 . . . . . . . . . . . 50014 4 >> 12 3 56.400 . 98.1102253228 . . . . . . . . . . . 50014 4 >> 13 1 7.957 . 20.1535704952 . . . . . . . . . . . 50014 4 >> 13 2 120.252 . 22.1235559676 . . . . . . . . . . . 50014 4 >> 13 3 55.814 . 246.2236661250 . . . . . . . . . . . 50014 4 >> 14 1 7.957 . 21.8448272887 . . . . . . . . . . . 50014 4 >> 14 2 120.259 . 23.8618013317 . . . . . . . . . . . 50014 4 >> 14 3 41.864 . 93.7006605022 . . . . . . . . . . . 50014 4 >> 15 1 7.958 . 24.4677816861 . . . . . . . . . . . 50014 4 >> 15 2 120.278 . 26.2872749531 . . . . . . . . . . . 50014 4 >> 15 3 30.502 . 105.0279654560 . . . . . . . . . . . 50014 4 >> 16 1 7.959 . 23.1926823222 . . . . . . . . . . . 50014 4 >> 16 2 120.880 . 26.6964783870 . . . . . . . . . . . 50014 4 >> 16 3 42.119 . 135.5628785870 . . . . . . . . . . . 50014 4 >> 17 1 7.957 . 21.7546952651 . . . . . . . . . . . 50014 4 >> 17 2 120.876 . 25.2571622911 . . . . . . . . . . . 50014 4 >> 17 3 41.883 . 114.4994444030 . . . . . . . . . . . 50014 4 >> 18 1 7.957 . 22.4324980838 . . . . . . . . . . . 50014 4 >> 18 2 120.874 . 26.0740667861 . . . . . . . . . . . 50014 4 >> 18 3 55.829 . 96.3662618075 . . . . . . . . . . . 50014 4 >> 19 1 7.957 . 21.9098323544 . . . . . . . . . . . 50014 4 >> 19 2 120.880 . 25.0019306098 . . . . . . . . . . . 50014 4 >> 19 3 56.077 . 137.9863385250 . . . . . . . . . . . 50014 4 >> 20 1 8.018 . 23.6054644889 . . . . . . . . . . . 50014 4 >> 20 2 122.113 . 25.0875873235 . . . . . . . . . . . 50014 4 >> 20 3 38.415 . 94.2700678639 . . . . . . . . . . . 50014 4 >> 21 1 8.018 . 22.8652818091 . . . . . . . . . . . 50014 4 >> 21 2 122.094 . 24.3779307861 . . . . . . . . . . . 50014 4 >> 21 3 42.088 . 101.2636562220 . . . . . . . . . . . 50014 4 >> 22 1 8.019 . 28.8793754658 . . . . . . . . . . . 50014 4 >> 22 2 122.103 . 25.5137675704 . . . . . . . . . . . 50014 4 >> 22 3 53.947 . 84.3023014268 . . . . . . . . . . . 50014 4 >> 23 1 8.018 . 23.4729541628 . . . . . . . . . . . 50014 4 >> 23 2 122.096 . 24.5693116222 . . . . . . . . . . . 50014 4 >> 23 3 56.025 . 88.8027204168 . . . . . . . . . . . 50014 4 >> 24 1 8.405 . 24.5915413303 . . . . . . . . . . . 50014 4 >> 24 2 118.677 . 24.9103287921 . . . . . . . . . . . 50014 4 >> 24 3 53.973 . 83.2589790735 . . . . . . . . . . . 50014 4 >> 25 1 8.405 . 25.1202075273 . . . . . . . . . . . 50014 4 >> 25 2 118.684 . 25.0597934262 . . . . . . . . . . . 50014 4 >> 25 3 57.272 . 83.0197024773 . . . . . . . . . . . 50014 4 >> 26 1 8.405 . 24.2863925511 . . . . . . . . . . . 50014 4 >> 26 2 118.680 . 24.6892653614 . . . . . . . . . . . 50014 4 >> 26 3 38.448 . 93.7598657717 . . . . . . . . . . . 50014 4 >> 27 1 8.404 . 23.7260988895 . . . . . . . . . . . 50014 4 >> 27 2 118.685 . 23.7238405810 . . . . . . . . . . . 50014 4 >> 27 3 30.066 . 93.9131992347 . . . . . . . . . . . 50014 4 >> 28 1 8.280 . 23.9191139304 . . . . . . . . . . . 50014 4 >> 28 2 120.953 . 25.4178303340 . . . . . . . . . . . 50014 4 >> 28 3 45.677 . 80.3772921762 . . . . . . . . . . . 50014 4 >> 29 1 8.279 . 23.1695555201 . . . . . . . . . . . 50014 4 >> 29 2 120.964 . 24.3837685777 . . . . . . . . . . . 50014 4 >> 29 3 57.278 . 96.8321281564 . . . . . . . . . . . 50014 4 >> 30 1 8.279 . 22.9456630729 . . . . . . . . . . . 50014 4 >> 30 2 120.993 . 25.6123661530 . . . . . . . . . . . 50014 4 >> 30 3 30.084 . 111.1269267230 . . . . . . . . . . . 50014 4 >> 31 1 8.257 . 24.3322711263 . . . . . . . . . . . 50014 4 >> 31 2 109.411 . 23.7649626716 . . . . . . . . . . . 50014 4 >> 31 3 39.132 . 86.6830626336 . . . . . . . . . . . 50014 4 >> 32 1 8.257 . 23.7861035654 . . . . . . . . . . . 50014 4 >> 32 2 109.409 . 24.2047715862 . . . . . . . . . . . 50014 4 >> 32 3 45.702 . 80.1576597247 . . . . . . . . . . . 50014 4 >> 33 1 8.257 . 23.1375530262 . . . . . . . . . . . 50014 4 >> 33 2 109.412 . 24.1078470763 . . . . . . . . . . . 50014 4 >> 33 3 58.191 . 86.5145868091 . . . . . . . . . . . 50014 4 >> 34 1 8.213 . 22.4409987462 . . . . . . . . . . . 50014 4 >> 34 2 120.365 . 24.6020418874 . . . . . . . . . . . 50014 4 >> 34 3 58.180 . 85.0415487899 . . . . . . . . . . . 50014 4 >> 35 1 8.214 . 22.3342404270 . . . . . . . . . . . 50014 4 >> 35 2 120.353 . 23.5912454475 . . . . . . . . . . . 50014 4 >> 35 3 54.392 . 85.5390640386 . . . . . . . . . . . 50014 4 >> 36 1 8.214 . 21.7274431414 . . . . . . . . . . . 50014 4 >> 36 2 120.359 . 24.7094830072 . . . . . . . . . . . 50014 4 >> 36 3 41.129 . 94.1287391560 . . . . . . . . . . . 50014 4 >> 37 1 8.213 . 22.5916354848 . . . . . . . . . . . 50014 4 >> 37 2 120.373 . 24.7226180382 . . . . . . . . . . . 50014 4 >> 37 3 39.150 . 89.2662676653 . . . . . . . . . . . 50014 4 >> 38 1 8.095 . 22.3699932130 . . . . . . . . . . . 50014 4 >> 38 2 120.494 . 24.3726080938 . . . . . . . . . . . 50014 4 >> 38 3 54.329 . 102.3578623670 . . . . . . . . . . . 50014 4 >> 39 1 8.096 . 22.4870023311 . . . . . . . . . . . 50014 4 >> 39 2 120.530 . 24.4187953271 . . . . . . . . . . . 50014 4 >> 39 3 54.132 . 116.0964860860 . . . . . . . . . . . 50014 4 >> 40 1 8.095 . 22.9562889010 . . . . . . . . . . . 50014 4 >> 40 2 120.495 . 25.1540565900 . . . . . . . . . . . 50014 4 >> 40 3 41.168 . 109.4874591440 . . . . . . . . . . . 50014 4 >> 41 1 8.094 . 22.7996516948 . . . . . . . . . . . 50014 4 >> 41 2 120.530 . 25.6105633056 . . . . . . . . . . . 50014 4 >> 41 3 41.405 . 131.3994112460 . . . . . . . . . . . 50014 4 >> 42 1 8.258 . 22.8482804842 . . . . . . . . . . . 50014 4 >> 42 2 123.612 . 24.1558371569 . . . . . . . . . . . 50014 4 >> 42 3 33.083 . 109.0964860970 . . . . . . . . . . . 50014 4 >> 43 1 8.258 . 22.7866506817 . . . . . . . . . . . 50014 4 >> 43 2 123.622 . 24.4349565662 . . . . . . . . . . . 50014 4 >> 43 3 41.326 . 101.6461713740 . . . . . . . . . . . 50014 4 >> 44 1 8.258 . 23.6174654241 . . . . . . . . . . . 50014 4 >> 44 2 123.608 . 24.6740699333 . . . . . . . . . . . 50014 4 >> 44 3 54.117 . 92.1947458241 . . . . . . . . . . . 50014 4 >> 45 1 8.258 . 23.0492961487 . . . . . . . . . . . 50014 4 >> 45 2 123.616 . 25.3872677781 . . . . . . . . . . . 50014 4 >> 45 3 62.027 . 88.8493070517 . . . . . . . . . . . 50014 4 >> 46 1 8.071 . 22.8230285164 . . . . . . . . . . . 50014 4 >> 46 2 120.825 . 25.4541448315 . . . . . . . . . . . 50014 4 >> 46 3 61.999 . 84.3465007525 . . . . . . . . . . . 50014 4 >> 47 1 8.069 . 21.5521794838 . . . . . . . . . . . 50014 4 >> 47 2 120.821 . 24.2086348307 . . . . . . . . . . . 50014 4 >> 47 3 55.608 . 108.6420788320 . . . . . . . . . . . 50014 4 >> 48 1 8.073 . 26.2892986304 . . . . . . . . . . . 50014 4 >> 48 2 120.825 . 25.3948225672 . . . . . . . . . . . 50014 4 >> 48 3 32.976 . 119.7845378410 . . . . . . . . . . . 50014 4 >> 49 1 8.072 . 26.2892986304 . . . . . . . . . . . 50014 4 >> 49 2 120.820 . 25.3948225672 . . . . . . . . . . . 50014 4 >> 49 3 32.922 . 119.7845378410 . . . . . . . . . . . 50014 4 >> 50 1 8.501 . 23.4293257630 . . . . . . . . . . . 50014 4 >> 50 2 120.958 . 23.9319836053 . . . . . . . . . . . 50014 4 >> 50 3 32.887 . 191.8556308210 . . . . . . . . . . . 50014 4 >> 51 1 8.500 . 22.8897837184 . . . . . . . . . . . 50014 4 >> 51 2 120.965 . 24.6097683762 . . . . . . . . . . . 50014 4 >> 51 3 32.416 . 216.1718079700 . . . . . . . . . . . 50014 4 >> 52 1 8.501 . 23.1910571956 . . . . . . . . . . . 50014 4 >> 52 2 120.955 . 24.5637957676 . . . . . . . . . . . 50014 4 >> 52 3 63.044 . 82.3258821990 . . . . . . . . . . . 50014 4 >> 53 1 8.501 . 24.1388810561 . . . . . . . . . . . 50014 4 >> 53 2 120.965 . 24.6253072038 . . . . . . . . . . . 50014 4 >> 53 3 55.602 . 86.7359926903 . . . . . . . . . . . 50014 4 >> 54 1 8.219 . 28.1576942277 . . . . . . . . . . . 50014 4 >> 54 2 109.869 . 25.1741883859 . . . . . . . . . . . 50014 4 >> 54 3 45.297 . 79.2543019026 . . . . . . . . . . . 50014 4 >> 55 1 8.219 . 27.0707345249 . . . . . . . . . . . 50014 4 >> 55 2 109.869 . 23.9859402523 . . . . . . . . . . . 50014 4 >> 55 3 39.496 . 98.4357178875 . . . . . . . . . . . 50014 4 >> 56 1 8.219 . 25.6778759844 . . . . . . . . . . . 50014 4 >> 56 2 109.870 . 23.7266736269 . . . . . . . . . . . 50014 4 >> 56 3 58.105 . 96.6105858576 . . . . . . . . . . . 50014 4 >> 57 1 7.992 . 23.9888693662 . . . . . . . . . . . 50014 4 >> 57 2 121.225 . 25.5011476386 . . . . . . . . . . . 50014 4 >> 57 3 29.370 . 107.7574102310 . . . . . . . . . . . 50014 4 >> 58 1 7.993 . 24.4637813744 . . . . . . . . . . . 50014 4 >> 58 2 121.224 . 26.1226578159 . . . . . . . . . . . 50014 4 >> 58 3 57.750 . 89.6520568409 . . . . . . . . . . . 50014 4 >> 59 1 8.066 . 23.2604376022 . . . . . . . . . . . 50014 4 >> 59 2 122.253 . 24.7455828800 . . . . . . . . . . . 50014 4 >> 59 3 40.751 . 96.9654082217 . . . . . . . . . . . 50014 4 >> 60 1 8.066 . 24.1587576050 . . . . . . . . . . . 50014 4 >> 60 2 122.248 . 24.5889927062 . . . . . . . . . . . 50014 4 >> 60 3 53.906 . 84.7317442574 . . . . . . . . . . . 50014 4 >> 61 1 8.065 . 22.9101603063 . . . . . . . . . . . 50014 4 >> 61 2 122.256 . 24.9246227964 . . . . . . . . . . . 50014 4 >> 61 3 57.729 . 94.4201273028 . . . . . . . . . . . 50014 4 >> 62 1 8.066 . 23.4818298545 . . . . . . . . . . . 50014 4 >> 62 2 122.254 . 24.3142301781 . . . . . . . . . . . 50014 4 >> 62 3 29.361 . 102.7841675910 . . . . . . . . . . . 50014 4 >> 63 1 7.397 . 26.6660779915 . . . . . . . . . . . 50014 4 >> 63 2 108.106 . 24.3351775479 . . . . . . . . . . . 50014 4 >> 63 3 45.677 . 78.6712527737 . . . . . . . . . . . 50014 4 >> 64 1 7.397 . 28.0969394933 . . . . . . . . . . . 50014 4 >> 64 2 108.096 . 23.5318802582 . . . . . . . . . . . 50014 4 >> 64 3 53.904 . 86.0674096812 . . . . . . . . . . . 50014 4 >> 65 1 7.397 . 25.4534834983 . . . . . . . . . . . 50014 4 >> 65 2 108.124 . 22.4014090912 . . . . . . . . . . . 50014 4 >> 65 3 40.778 . 91.9637907058 . . . . . . . . . . . 50014 4 >> 66 1 7.907 . 24.3580231331 . . . . . . . . . . . 50014 4 >> 66 2 120.187 . 24.6102405505 . . . . . . . . . . . 50014 4 >> 66 3 45.664 . 79.3156898549 . . . . . . . . . . . 50014 4 >> 67 1 7.908 . 24.8489363882 . . . . . . . . . . . 50014 4 >> 67 2 120.193 . 25.3555033240 . . . . . . . . . . . 50014 4 >> 67 3 32.756 . 114.9962775630 . . . . . . . . . . . 50014 4 >> 68 1 7.907 . 25.8330130737 . . . . . . . . . . . 50014 4 >> 68 2 120.191 . 24.6755723062 . . . . . . . . . . . 50014 4 >> 68 3 56.622 . 85.6813476702 . . . . . . . . . . . 50014 4 >> 69 1 8.279 . 23.8923618457 . . . . . . . . . . . 50014 4 >> 69 2 120.318 . 27.3072573297 . . . . . . . . . . . 50014 4 >> 69 3 32.637 . 141.9447701050 . . . . . . . . . . . 50014 4 >> 70 1 8.279 . 23.9108632875 . . . . . . . . . . . 50014 4 >> 70 2 120.323 . 23.5408515703 . . . . . . . . . . . 50014 4 >> 70 3 56.636 . 80.6048368526 . . . . . . . . . . . 50014 4 >> 71 1 8.278 . 24.2662659827 . . . . . . . . . . . 50014 4 >> 71 2 120.309 . 27.7720914833 . . . . . . . . . . . 50014 4 >> 71 3 55.566 . 95.4462610295 . . . . . . . . . . . 50014 4 >> 72 1 8.201 . 51.4812617494 . . . . . . . . . . . 50014 4 >> 72 2 122.095 . 25.6259948208 . . . . . . . . . . . 50014 4 >> 72 3 30.652 . 105.5261627930 . . . . . . . . . . . 50014 4 >> 73 1 8.201 . 53.4210379092 . . . . . . . . . . . 50014 4 >> 73 2 122.095 . 25.6879784313 . . . . . . . . . . . 50014 4 >> 73 3 56.423 . 89.1310777526 . . . . . . . . . . . 50014 4 >> 74 1 8.200 . 24.5295364985 . . . . . . . . . . . 50014 4 >> 74 2 122.077 . 24.0948408200 . . . . . . . . . . . 50014 4 >> 74 3 55.592 . 93.9082881985 . . . . . . . . . . . 50014 4 >> 75 1 8.206 . 68.1705622865 . . . . . . . . . . . 50014 4 >> 75 2 122.130 . 25.1385821499 . . . . . . . . . . . 50014 4 >> 75 3 32.650 . 143.4066218750 . . . . . . . . . . . 50014 4 >> 76 1 8.285 . 22.3972453367 . . . . . . . . . . . 50014 4 >> 76 2 109.675 . 25.8785007685 . . . . . . . . . . . 50014 4 >> 76 3 56.486 . 84.4909670668 . . . . . . . . . . . 50014 4 >> 77 1 8.287 . 23.7119727887 . . . . . . . . . . . 50014 4 >> 77 2 109.679 . 28.5013003299 . . . . . . . . . . . 50014 4 >> 77 3 30.624 . 97.3351001121 . . . . . . . . . . . 50014 4 >> 78 1 8.287 . 29.0192613666 . . . . . . . . . . . 50014 4 >> 78 2 109.683 . 46.8872531714 . . . . . . . . . . . 50014 4 >> 78 3 45.254 . 94.3096289887 . . . . . . . . . . . 50014 4 >> 79 1 8.090 . 25.6579994355 . . . . . . . . . . . 50014 4 >> 79 2 120.845 . 27.0843481267 . . . . . . . . . . . 50014 4 >> 79 3 45.176 . 81.4694520559 . . . . . . . . . . . 50014 4 >> 80 1 8.088 . 30.4768749531 . . . . . . . . . . . 50014 4 >> 80 2 120.837 . 27.0875245721 . . . . . . . . . . . 50014 4 >> 80 3 56.251 . 98.3871531964 . . . . . . . . . . . 50014 4 >> 81 1 8.047 . 23.7198484024 . . . . . . . . . . . 50014 4 >> 81 2 121.284 . 25.2962669096 . . . . . . . . . . . 50014 4 >> 81 3 32.778 . 147.6219279310 . . . . . . . . . . . 50014 4 >> 82 1 8.047 . 22.7362717558 . . . . . . . . . . . 50014 4 >> 82 2 121.277 . 24.1871723617 . . . . . . . . . . . 50014 4 >> 82 3 56.217 . 84.6014653809 . . . . . . . . . . . 50014 4 >> 83 1 8.047 . 23.2733136055 . . . . . . . . . . . 50014 4 >> 83 2 121.282 . 25.0321497661 . . . . . . . . . . . 50014 4 >> 83 3 62.442 . 83.7427161374 . . . . . . . . . . . 50014 4 >> 84 1 8.280 . 23.1046754642 . . . . . . . . . . . 50014 4 >> 84 2 124.641 . 27.2238756377 . . . . . . . . . . . 50014 4 >> 84 3 32.842 . 115.1250558450 . . . . . . . . . . . 50014 4 >> 85 1 8.281 . 22.7706494347 . . . . . . . . . . . 50014 4 >> 85 2 124.654 . 27.7100864103 . . . . . . . . . . . 50014 4 >> 85 3 62.448 . 85.5870148502 . . . . . . . . . . . 50014 4 >> 86 1 8.280 . 22.4244974604 . . . . . . . . . . . 50014 4 >> 86 2 124.644 . 27.1450332578 . . . . . . . . . . . 50014 4 >> 86 3 56.397 . 86.0715022113 . . . . . . . . . . . 50014 4 >> 87 1 7.998 . 23.6660942135 . . . . . . . . . . . 50014 4 >> 87 2 123.570 . 24.6195552621 . . . . . . . . . . . 50014 4 >> 87 3 52.518 . 84.3358601741 . . . . . . . . . . . 50014 4 >> 88 1 7.998 . 23.8977372646 . . . . . . . . . . . 50014 4 >> 88 2 123.561 . 24.8453189735 . . . . . . . . . . . 50014 4 >> 88 3 45.301 . 78.9121663819 . . . . . . . . . . . 50014 4 >> 89 1 7.998 . 23.3024408753 . . . . . . . . . . . 50014 4 >> 89 2 123.564 . 24.3978694198 . . . . . . . . . . . 50014 4 >> 89 3 19.244 . 84.3437723990 . . . . . . . . . . . 50014 4 >> 90 1 8.359 . 28.3784614313 . . . . . . . . . . . 50014 4 >> 90 2 109.287 . 24.1830515676 . . . . . . . . . . . 50014 4 >> 90 3 55.534 . 89.4344706545 . . . . . . . . . . . 50014 4 >> 91 1 8.356 . 25.9610230491 . . . . . . . . . . . 50014 4 >> 91 2 109.289 . 25.1046499864 . . . . . . . . . . . 50014 4 >> 91 3 45.312 . 78.2194374449 . . . . . . . . . . . 50014 4 >> 92 1 8.358 . 24.4566558191 . . . . . . . . . . . 50014 4 >> 92 2 109.270 . 24.5833695394 . . . . . . . . . . . 50014 4 >> 92 3 42.216 . 88.5328862621 . . . . . . . . . . . 50014 4 >> 93 1 7.988 . 23.0097930703 . . . . . . . . . . . 50014 4 >> 93 2 121.396 . 25.1336028571 . . . . . . . . . . . 50014 4 >> 93 3 42.255 . 97.8553971120 . . . . . . . . . . . 50014 4 >> 94 1 7.987 . 22.4304979280 . . . . . . . . . . . 50014 4 >> 94 2 121.410 . 25.7517005017 . . . . . . . . . . . 50014 4 >> 94 3 55.548 . 84.1847093938 . . . . . . . . . . . 50014 4 >> 95 1 7.989 . 24.0248721718 . . . . . . . . . . . 50014 4 >> 95 2 121.335 . 27.4975865048 . . . . . . . . . . . 50014 4 >> 95 3 45.361 . 80.2588816371 . . . . . . . . . . . 50014 4 >> 96 1 8.169 . 25.9365211397 . . . . . . . . . . . 50014 4 >> 96 2 107.528 . 24.8495900048 . . . . . . . . . . . 50014 4 >> 96 3 45.394 . 79.3757136304 . . . . . . . . . . . 50014 4 >> 97 1 8.168 . 25.8072610669 . . . . . . . . . . . 50014 4 >> 97 2 107.520 . 24.6119575481 . . . . . . . . . . . 50014 4 >> 97 3 52.938 . 81.1758812264 . . . . . . . . . . . 50014 4 >> 98 1 8.167 . 24.9486941619 . . . . . . . . . . . 50014 4 >> 98 2 107.533 . 23.6716438563 . . . . . . . . . . . 50014 4 >> 98 3 19.016 . 86.0899185970 . . . . . . . . . . . 50014 4 >> 99 1 8.135 . 22.7443973890 . . . . . . . . . . . 50014 4 >> 99 2 123.634 . 24.6326688307 . . . . . . . . . . . 50014 4 >> 99 3 19.024 . 85.4602146244 . . . . . . . . . . . 50014 4 >> 100 1 8.135 . 23.3651957656 . . . . . . . . . . . 50014 4 >> 100 2 123.650 . 24.1528109488 . . . . . . . . . . . 50014 4 >> 100 3 42.094 . 98.2635587858 . . . . . . . . . . . 50014 4 >> 101 1 8.135 . 23.4360762891 . . . . . . . . . . . 50014 4 >> 101 2 123.633 . 24.7439517324 . . . . . . . . . . . 50014 4 >> 101 3 52.909 . 85.0171300266 . . . . . . . . . . . 50014 4 >> 102 1 8.136 . 23.5774623068 . . . . . . . . . . . 50014 4 >> 102 2 123.636 . 24.1798321973 . . . . . . . . . . . 50014 4 >> 102 3 55.486 . 93.3720303310 . . . . . . . . . . . 50014 4 >> 103 1 8.096 . 23.2393109558 . . . . . . . . . . . 50014 4 >> 103 2 122.484 . 24.6364033003 . . . . . . . . . . . 50014 4 >> 103 3 42.083 . 102.7527915270 . . . . . . . . . . . 50014 4 >> 104 1 8.094 . 23.8248565853 . . . . . . . . . . . 50014 4 >> 104 2 122.475 . 24.6215512717 . . . . . . . . . . . 50014 4 >> 104 3 55.477 . 84.2451424224 . . . . . . . . . . . 50014 4 >> 105 1 8.094 . 23.4662036368 . . . . . . . . . . . 50014 4 >> 105 2 122.465 . 24.0759967723 . . . . . . . . . . . 50014 4 >> 105 3 53.257 . 92.4963652962 . . . . . . . . . . . 50014 4 >> 106 1 8.095 . 24.6342946619 . . . . . . . . . . . 50014 4 >> 106 2 122.481 . 24.7959982197 . . . . . . . . . . . 50014 4 >> 106 3 38.503 . 92.0388204253 . . . . . . . . . . . 50014 4 >> 107 1 8.255 . 27.5440214064 . . . . . . . . . . . 50014 4 >> 107 2 117.180 . 25.3768799431 . . . . . . . . . . . 50014 4 >> 107 3 53.207 . 151.8186811840 . . . . . . . . . . . 50014 4 >> 108 1 8.253 . 26.7988383370 . . . . . . . . . . . 50014 4 >> 108 2 117.195 . 25.4862097602 . . . . . . . . . . . 50014 4 >> 108 3 38.519 . 92.0699236544 . . . . . . . . . . . 50014 4 >> 109 1 8.254 . 24.7338024162 . . . . . . . . . . . 50014 4 >> 109 2 117.186 . 25.6389796145 . . . . . . . . . . . 50014 4 >> 109 3 19.298 . 81.3818719107 . . . . . . . . . . . 50014 4 >> 110 1 8.142 . 24.8190590599 . . . . . . . . . . . 50014 4 >> 110 2 124.789 . 24.5674765811 . . . . . . . . . . . 50014 4 >> 110 3 52.750 . 84.1866192412 . . . . . . . . . . . 50014 4 >> 111 1 8.142 . 23.6628439602 . . . . . . . . . . . 50014 4 >> 111 2 124.798 . 22.8086916341 . . . . . . . . . . . 50014 4 >> 111 3 38.701 . 94.0736264166 . . . . . . . . . . . 50014 4 >> 112 1 8.142 . 25.3242234256 . . . . . . . . . . . 50014 4 >> 112 2 124.792 . 25.7212452582 . . . . . . . . . . . 50014 4 >> 112 3 19.315 . 85.7265019196 . . . . . . . . . . . 50014 4 >> 113 1 8.121 . 24.0888771595 . . . . . . . . . . . 50014 4 >> 113 2 120.631 . 24.6785770518 . . . . . . . . . . . 50014 4 >> 113 3 57.757 . 85.9339931982 . . . . . . . . . . . 50014 4 >> 114 1 8.122 . 24.1148791857 . . . . . . . . . . . 50014 4 >> 114 2 120.623 . 24.7672170488 . . . . . . . . . . . 50014 4 >> 114 3 38.683 . 96.1051583839 . . . . . . . . . . . 50014 4 >> 115 1 8.121 . 26.0315285433 . . . . . . . . . . . 50014 4 >> 115 2 120.613 . 24.2624627029 . . . . . . . . . . . 50014 4 >> 115 3 30.833 . 91.3807415769 . . . . . . . . . . . 50014 4 >> 116 1 8.112 . 43.3676294832 . . . . . . . . . . . 50014 4 >> 116 2 120.681 . 25.5254860785 . . . . . . . . . . . 50014 4 >> 116 3 56.223 . 87.1487925649 . . . . . . . . . . . 50014 4 >> 117 1 8.207 . 24.2142619303 . . . . . . . . . . . 50014 4 >> 117 2 119.651 . 25.4661638142 . . . . . . . . . . . 50014 4 >> 117 3 56.105 . 88.2570497299 . . . . . . . . . . . 50014 4 >> 118 1 8.206 . 23.2424361994 . . . . . . . . . . . 50014 4 >> 118 2 119.657 . 25.2294757061 . . . . . . . . . . . 50014 4 >> 118 3 52.487 . 81.7521094717 . . . . . . . . . . . 50014 4 >> 119 1 8.207 . 24.0976278414 . . . . . . . . . . . 50014 4 >> 119 2 119.656 . 25.2648887799 . . . . . . . . . . . 50014 4 >> 119 3 19.213 . 83.8935940824 . . . . . . . . . . . 50014 4 >> 120 1 8.207 . 23.9554917652 . . . . . . . . . . . 50014 4 >> 120 2 119.667 . 25.4577505263 . . . . . . . . . . . 50014 4 >> 120 3 30.728 . 108.3161770150 . . . . . . . . . . . 50014 4 >> 121 1 8.392 . 27.6300281086 . . . . . . . . . . . 50014 4 >> 121 2 119.878 . 26.7546416780 . . . . . . . . . . . 50014 4 >> 121 3 30.737 . 100.1103812250 . . . . . . . . . . . 50014 4 >> 122 1 8.392 . 25.1009560271 . . . . . . . . . . . 50014 4 >> 122 2 119.870 . 24.8599349149 . . . . . . . . . . . 50014 4 >> 122 3 56.122 . 87.4873812261 . . . . . . . . . . . 50014 4 >> 123 1 8.392 . 26.8767194060 . . . . . . . . . . . 50014 4 >> 123 2 119.871 . 26.0002788176 . . . . . . . . . . . 50014 4 >> 123 3 38.785 . 94.9707090258 . . . . . . . . . . . 50014 4 >> 124 1 8.392 . 25.8841420580 . . . . . . . . . . . 50014 4 >> 124 2 119.875 . 24.5901087546 . . . . . . . . . . . 50014 4 >> 124 3 53.231 . 85.3669049369 . . . . . . . . . . . 50014 4 >> 125 1 7.979 . 22.9972920962 . . . . . . . . . . . 50014 4 >> 125 2 120.208 . 25.8311974869 . . . . . . . . . . . 50014 4 >> 125 3 32.732 . 128.4694324930 . . . . . . . . . . . 50014 4 >> 126 1 7.979 . 22.5193798542 . . . . . . . . . . . 50014 4 >> 126 2 120.212 . 25.1370583146 . . . . . . . . . . . 50014 4 >> 126 3 62.431 . 84.4121858614 . . . . . . . . . . . 50014 4 >> 127 1 7.980 . 22.3329903295 . . . . . . . . . . . 50014 4 >> 127 2 120.218 . 25.2948074617 . . . . . . . . . . . 50014 4 >> 127 3 53.199 . 94.4116694071 . . . . . . . . . . . 50014 4 >> 128 1 7.979 . 22.3408659433 . . . . . . . . . . . 50014 4 >> 128 2 120.215 . 25.0348969621 . . . . . . . . . . . 50014 4 >> 128 3 38.782 . 94.4528675440 . . . . . . . . . . . 50014 4 >> 129 1 8.089 . 40.7479253391 . . . . . . . . . . . 50014 4 >> 129 2 120.832 . 26.2963321150 . . . . . . . . . . . 50014 4 >> 129 3 33.156 . 111.9001420860 . . . . . . . . . . . 50014 4 >> 130 1 8.225 . 22.0713449405 . . . . . . . . . . . 50014 4 >> 130 2 124.437 . 24.5859664981 . . . . . . . . . . . 50014 4 >> 130 3 19.365 . 90.1889967968 . . . . . . . . . . . 50014 4 >> 131 1 8.225 . 22.0180907906 . . . . . . . . . . . 50014 4 >> 131 2 124.435 . 24.2281227525 . . . . . . . . . . . 50014 4 >> 131 3 30.190 . 96.0123943671 . . . . . . . . . . . 50014 4 >> 132 1 8.225 . 22.5533825039 . . . . . . . . . . . 50014 4 >> 132 2 124.438 . 24.6971635500 . . . . . . . . . . . 50014 4 >> 132 3 52.534 . 90.0220215666 . . . . . . . . . . . 50014 4 >> 133 1 8.226 . 21.9230833870 . . . . . . . . . . . 50014 4 >> 133 2 124.429 . 24.3908404612 . . . . . . . . . . . 50014 4 >> 133 3 56.635 . 87.9258276230 . . . . . . . . . . . 50014 4 >> 134 1 8.358 . 23.2024330821 . . . . . . . . . . . 50014 4 >> 134 2 120.244 . 23.8742924886 . . . . . . . . . . . 50014 4 >> 134 3 52.522 . 82.1373529767 . . . . . . . . . . . 50014 4 >> 135 1 8.357 . 23.0840488568 . . . . . . . . . . . 50014 4 >> 135 2 120.242 . 24.3329025262 . . . . . . . . . . . 50014 4 >> 135 3 56.562 . 83.4215889382 . . . . . . . . . . . 50014 4 >> 136 1 8.358 . 23.4428268151 . . . . . . . . . . . 50014 4 >> 136 2 120.249 . 23.7798576250 . . . . . . . . . . . 50014 4 >> 136 3 19.358 . 90.0072884581 . . . . . . . . . . . 50014 4 >> 137 1 8.358 . 23.1788062409 . . . . . . . . . . . 50014 4 >> 137 2 120.242 . 24.5839704885 . . . . . . . . . . . 50014 4 >> 137 3 30.182 . 113.8787439970 . . . . . . . . . . . 50014 4 >> 138 1 8.279 . 23.2774389270 . . . . . . . . . . . 50014 4 >> 138 2 121.056 . 24.0001054819 . . . . . . . . . . . 50014 4 >> 138 3 56.598 . 240.0800962800 . . . . . . . . . . . 50014 4 >> 139 1 8.359 . 23.2401860240 . . . . . . . . . . . 50014 4 >> 139 2 122.432 . 24.6989020100 . . . . . . . . . . . 50014 4 >> 139 3 30.173 . 103.7107164170 . . . . . . . . . . . 50014 4 >> 140 1 8.358 . 23.1318025781 . . . . . . . . . . . 50014 4 >> 140 2 122.434 . 24.4631582505 . . . . . . . . . . . 50014 4 >> 140 3 32.952 . 98.5612221455 . . . . . . . . . . . 50014 4 >> 141 1 8.359 . 22.9625393880 . . . . . . . . . . . 50014 4 >> 141 2 122.428 . 24.7199566921 . . . . . . . . . . . 50014 4 >> 141 3 56.606 . 95.3424471813 . . . . . . . . . . . 50014 4 >> 142 1 8.166 . 24.2745166257 . . . . . . . . . . . 50014 4 >> 142 2 122.317 . 26.6077525401 . . . . . . . . . . . 50014 4 >> 142 3 32.663 . 123.9321807320 . . . . . . . . . . . 50014 4 >> 143 1 8.166 . 24.3228953957 . . . . . . . . . . . 50014 4 >> 143 2 122.334 . 24.5009107335 . . . . . . . . . . . 50014 4 >> 143 3 62.508 . 82.9875761156 . . . . . . . . . . . 50014 4 >> 144 1 8.164 . 44.5159689692 . . . . . . . . . . . 50014 4 >> 144 2 122.236 . 27.6767766584 . . . . . . . . . . . 50014 4 >> 144 3 30.577 . 149.7756901320 . . . . . . . . . . . 50014 4 >> 145 1 8.164 . 31.1516775381 . . . . . . . . . . . 50014 4 >> 145 2 122.227 . 27.8581774464 . . . . . . . . . . . 50014 4 >> 145 3 56.328 . 101.7505308930 . . . . . . . . . . . 50014 4 >> 146 1 8.302 . 23.4904555266 . . . . . . . . . . . 50014 4 >> 146 2 125.123 . 29.3312325436 . . . . . . . . . . . 50014 4 >> 146 3 62.487 . 89.9378518632 . . . . . . . . . . . 50014 4 >> 147 1 8.302 . 24.9071909277 . . . . . . . . . . . 50014 4 >> 147 2 125.141 . 29.8652402347 . . . . . . . . . . . 50014 4 >> 147 3 56.430 . 97.4693351010 . . . . . . . . . . . 50014 4 >> 148 1 8.305 . 24.3905256659 . . . . . . . . . . . 50014 4 >> 148 2 125.091 . 28.0242540315 . . . . . . . . . . . 50014 4 >> 148 3 32.964 . 124.0642330380 . . . . . . . . . . . 50014 4 >> 149 1 8.286 . 24.1942603716 . . . . . . . . . . . 50014 4 >> 149 2 122.823 . 25.3600104425 . . . . . . . . . . . 50014 4 >> 149 3 30.403 . 106.7430084240 . . . . . . . . . . . 50014 4 >> 150 1 8.287 . 22.8267788087 . . . . . . . . . . . 50014 4 >> 150 2 122.798 . 23.3550939011 . . . . . . . . . . . 50014 4 >> 150 3 32.959 . 97.4076743134 . . . . . . . . . . . 50014 4 >> 151 1 8.286 . 24.4242782961 . . . . . . . . . . . 50014 4 >> 151 2 122.812 . 26.6660231435 . . . . . . . . . . . 50014 4 >> 151 3 56.449 . 90.5702841892 . . . . . . . . . . . 50014 4 >> 152 1 8.302 . 24.5845407848 . . . . . . . . . . . 50014 4 >> 152 2 125.095 . 28.3077088596 . . . . . . . . . . . 50014 4 >> 152 3 32.802 . 131.5710246770 . . . . . . . . . . . 50014 4 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Contribution_fractional_val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Ambiguity_code >> _Assigned_peak_chem_shift.Ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_ambiguity_code >> _Assigned_peak_chem_shift.Auth_ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 1 . . 8.142 . . 1 1 1 32 ALA H . . . . . . . . . . 5 . 50014 4 >> 1 2 1 . . 124.792 . . 1 1 1 32 ALA N . . . . . . . . . . 6 . 50014 4 >> 1 3 1 . . 57.751 . . 1 1 1 31 TYR CA . . . . . . . . . . 111 . 50014 4 >> 2 1 1 . . 8.280 . . 1 1 1 47 ASP H . . . . . . . . . . 85 . 50014 4 >> 2 2 1 . . 121.056 . . 1 1 1 47 ASP N . . . . . . . . . . 86 . 50014 4 >> 2 3 1 . . 54.431 . . 1 1 1 47 ASP CA . . . . . . . . . . 96 . 50014 4 >> 3 1 1 . . 8.278 . . 1 1 1 47 ASP H . . . . . . . . . . 85 . 50014 4 >> 3 2 1 . . 121.050 . . 1 1 1 47 ASP N . . . . . . . . . . 86 . 50014 4 >> 3 3 1 . . 41.197 . . 1 1 1 47 ASP CB . . . . . . . . . . 186 . 50014 4 >> 4 1 1 . . 8.075 . . 1 1 1 15 PHE H . . . . . . . . . . 80 . 50014 4 >> 4 2 1 . . 121.355 . . 1 1 1 15 PHE N . . . . . . . . . . 81 . 50014 4 >> 4 3 1 . . 63.718 . . 1 1 1 14 SER CB . . . . . . . . . . 82 . 50014 4 >> 5 1 1 . . 8.074 . . 1 1 1 15 PHE H . . . . . . . . . . 80 . 50014 4 >> 5 2 1 . . 121.335 . . 1 1 1 15 PHE N . . . . . . . . . . 81 . 50014 4 >> 5 3 1 . . 58.111 . . 1 1 1 15 PHE CA . . . . . . . . . . 180 . 50014 4 >> 6 1 1 . . 8.073 . . 1 1 1 15 PHE H . . . . . . . . . . 80 . 50014 4 >> 6 2 1 . . 121.340 . . 1 1 1 15 PHE N . . . . . . . . . . 81 . 50014 4 >> 6 3 1 . . 58.558 . . 1 1 1 14 SER CA . . . . . . . . . . 157 . 50014 4 >> 7 1 1 . . 8.075 . . 1 1 1 15 PHE H . . . . . . . . . . 80 . 50014 4 >> 7 2 1 . . 121.321 . . 1 1 1 15 PHE N . . . . . . . . . . 81 . 50014 4 >> 7 3 2 . . 39.489 . . 1 1 1 15 PHE CB . . . . . . . . . . 191 . 50014 4 >> 8 1 1 . . 8.001 . . 1 1 1 14 SER H . . . . . . . . . . 155 . 50014 4 >> 8 2 1 . . 115.890 . . 1 1 1 14 SER N . . . . . . . . . . 156 . 50014 4 >> 8 3 1 . . 58.571 . . 1 1 1 14 SER CA . . . . . . . . . . 157 . 50014 4 >> 9 1 1 . . 8.000 . . 1 1 1 14 SER H . . . . . . . . . . 155 . 50014 4 >> 9 2 1 . . 115.892 . . 1 1 1 14 SER N . . . . . . . . . . 156 . 50014 4 >> 9 3 1 . . 63.742 . . 1 1 1 14 SER CB . . . . . . . . . . 82 . 50014 4 >> 10 1 1 . . 8.001 . . 1 1 1 14 SER H . . . . . . . . . . 155 . 50014 4 >> 10 2 1 . . 115.899 . . 1 1 1 14 SER N . . . . . . . . . . 156 . 50014 4 >> 10 3 1 . . 30.515 . . 1 1 1 13 ARG CB . . . . . . . . . . 158 . 50014 4 >> 11 1 1 . . 8.001 . . 1 1 1 14 SER H . . . . . . . . . . 155 . 50014 4 >> 11 2 1 . . 115.901 . . 1 1 1 14 SER N . . . . . . . . . . 156 . 50014 4 >> 11 3 1 . . 56.393 . . 1 1 1 13 ARG CA . . . . . . . . . . 122 . 50014 4 >> 12 1 1 . . 7.957 . . 1 1 1 13 ARG H . . . . . . . . . . 120 . 50014 4 >> 12 2 1 . . 120.273 . . 1 1 1 13 ARG N . . . . . . . . . . 121 . 50014 4 >> 12 3 1 . . 56.400 . . 1 1 1 13 ARG CA . . . . . . . . . . 122 . 50014 4 >> 13 1 1 . . 7.957 . . 1 1 1 13 ARG H . . . . . . . . . . 120 . 50014 4 >> 13 2 1 . . 120.252 . . 1 1 1 13 ARG N . . . . . . . . . . 121 . 50014 4 >> 13 3 1 . . 55.814 . . 1 1 1 12 LEU CA . . . . . . . . . . 99 . 50014 4 >> 14 1 1 . . 7.957 . . 1 1 1 13 ARG H . . . . . . . . . . 120 . 50014 4 >> 14 2 1 . . 120.259 . . 1 1 1 13 ARG N . . . . . . . . . . 121 . 50014 4 >> 14 3 1 . . 41.864 . . 1 1 1 12 LEU CB . . . . . . . . . . 123 . 50014 4 >> 15 1 1 . . 7.958 . . 1 1 1 13 ARG H . . . . . . . . . . 120 . 50014 4 >> 15 2 1 . . 120.278 . . 1 1 1 13 ARG N . . . . . . . . . . 121 . 50014 4 >> 15 3 1 . . 30.502 . . 1 1 1 13 ARG CB . . . . . . . . . . 158 . 50014 4 >> 16 1 1 . . 7.959 . . 1 1 1 12 LEU H . . . . . . . . . . 97 . 50014 4 >> 16 2 1 . . 120.880 . . 1 1 1 12 LEU N . . . . . . . . . . 98 . 50014 4 >> 16 3 1 . . 42.119 . . 1 1 1 11 LEU CB . . . . . . . . . . 100 . 50014 4 >> 17 1 1 . . 7.957 . . 1 1 1 12 LEU H . . . . . . . . . . 97 . 50014 4 >> 17 2 1 . . 120.876 . . 1 1 1 12 LEU N . . . . . . . . . . 98 . 50014 4 >> 17 3 1 . . 41.883 . . 1 1 1 12 LEU CB . . . . . . . . . . 123 . 50014 4 >> 18 1 1 . . 7.957 . . 1 1 1 12 LEU H . . . . . . . . . . 97 . 50014 4 >> 18 2 1 . . 120.874 . . 1 1 1 12 LEU N . . . . . . . . . . 98 . 50014 4 >> 18 3 1 . . 55.829 . . 1 1 1 12 LEU CA . . . . . . . . . . 99 . 50014 4 >> 19 1 1 . . 7.957 . . 1 1 1 12 LEU H . . . . . . . . . . 97 . 50014 4 >> 19 2 1 . . 120.880 . . 1 1 1 12 LEU N . . . . . . . . . . 98 . 50014 4 >> 19 3 1 . . 56.077 . . 1 1 1 11 LEU CA . . . . . . . . . . 50 . 50014 4 >> 20 1 1 . . 8.018 . . 1 1 1 11 LEU H . . . . . . . . . . 47 . 50014 4 >> 20 2 1 . . 122.113 . . 1 1 1 11 LEU N . . . . . . . . . . 48 . 50014 4 >> 20 3 1 . . 38.415 . . 1 1 1 10 ASN CB . . . . . . . . . . 49 . 50014 4 >> 21 1 1 . . 8.018 . . 1 1 1 11 LEU H . . . . . . . . . . 47 . 50014 4 >> 21 2 1 . . 122.094 . . 1 1 1 11 LEU N . . . . . . . . . . 48 . 50014 4 >> 21 3 1 . . 42.088 . . 1 1 1 11 LEU CB . . . . . . . . . . 100 . 50014 4 >> 22 1 1 . . 8.019 . . 1 1 1 11 LEU H . . . . . . . . . . 47 . 50014 4 >> 22 2 1 . . 122.103 . . 1 1 1 11 LEU N . . . . . . . . . . 48 . 50014 4 >> 22 3 1 . . 53.947 . . 1 1 1 10 ASN CA . . . . . . . . . . 149 . 50014 4 >> 23 1 1 . . 8.018 . . 1 1 1 11 LEU H . . . . . . . . . . 47 . 50014 4 >> 23 2 1 . . 122.096 . . 1 1 1 11 LEU N . . . . . . . . . . 48 . 50014 4 >> 23 3 1 . . 56.025 . . 1 1 1 11 LEU CA . . . . . . . . . . 50 . 50014 4 >> 24 1 1 . . 8.405 . . 1 1 1 10 ASN H . . . . . . . . . . 147 . 50014 4 >> 24 2 1 . . 118.677 . . 1 1 1 10 ASN N . . . . . . . . . . 148 . 50014 4 >> 24 3 1 . . 53.973 . . 1 1 1 10 ASN CA . . . . . . . . . . 149 . 50014 4 >> 25 1 1 . . 8.405 . . 1 1 1 10 ASN H . . . . . . . . . . 147 . 50014 4 >> 25 2 1 . . 118.684 . . 1 1 1 10 ASN N . . . . . . . . . . 148 . 50014 4 >> 25 3 1 . . 57.272 . . 1 1 1 9 GLU CA . . . . . . . . . . 189 . 50014 4 >> 26 1 1 . . 8.405 . . 1 1 1 10 ASN H . . . . . . . . . . 147 . 50014 4 >> 26 2 1 . . 118.680 . . 1 1 1 10 ASN N . . . . . . . . . . 148 . 50014 4 >> 26 3 1 . . 38.448 . . 1 1 1 10 ASN CB . . . . . . . . . . 49 . 50014 4 >> 27 1 1 . . 8.404 . . 1 1 1 10 ASN H . . . . . . . . . . 147 . 50014 4 >> 27 2 1 . . 118.685 . . 1 1 1 10 ASN N . . . . . . . . . . 148 . 50014 4 >> 27 3 1 . . 30.066 . . 1 1 1 9 GLU CB . . . . . . . . . . 150 . 50014 4 >> 28 1 1 . . 8.280 . . 1 1 1 9 GLU H . . . . . . . . . . 83 . 50014 4 >> 28 2 1 . . 120.953 . . 1 1 1 9 GLU N . . . . . . . . . . 84 . 50014 4 >> 28 3 1 . . 45.677 . . 1 1 1 8 GLY CA . . . . . . . . . . 175 . 50014 4 >> 29 1 1 . . 8.279 . . 1 1 1 9 GLU H . . . . . . . . . . 83 . 50014 4 >> 29 2 1 . . 120.964 . . 1 1 1 9 GLU N . . . . . . . . . . 84 . 50014 4 >> 29 3 1 . . 57.278 . . 1 1 1 9 GLU CA . . . . . . . . . . 189 . 50014 4 >> 30 1 1 . . 8.279 . . 1 1 1 9 GLU H . . . . . . . . . . 83 . 50014 4 >> 30 2 1 . . 120.993 . . 1 1 1 9 GLU N . . . . . . . . . . 84 . 50014 4 >> 30 3 1 . . 30.084 . . 1 1 1 9 GLU CB . . . . . . . . . . 150 . 50014 4 >> 31 1 1 . . 8.257 . . 1 1 1 8 GLY H . . . . . . . . . . 169 . 50014 4 >> 31 1 2 . . 8.257 . . 1 1 1 7 PHE H . . . . . . . . . . 127 . 50014 4 >> 31 2 1 . . 109.411 . . 1 1 1 8 GLY N . . . . . . . . . . 170 . 50014 4 >> 31 3 1 . . 39.132 . . 1 1 1 7 PHE CB . . . . . . . . . . 176 . 50014 4 >> 32 1 1 . . 8.257 . . 1 1 1 8 GLY H . . . . . . . . . . 169 . 50014 4 >> 32 2 1 . . 109.409 . . 1 1 1 8 GLY N . . . . . . . . . . 170 . 50014 4 >> 32 3 1 . . 45.702 . . 1 1 1 8 GLY CA . . . . . . . . . . 175 . 50014 4 >> 33 1 1 . . 8.257 . . 1 1 1 8 GLY H . . . . . . . . . . 169 . 50014 4 >> 33 2 1 . . 109.412 . . 1 1 1 8 GLY N . . . . . . . . . . 170 . 50014 4 >> 33 3 1 . . 58.191 . . 1 1 1 7 PHE CA . . . . . . . . . . 129 . 50014 4 >> 34 1 2 . . 8.213 . . 1 1 1 7 PHE H . . . . . . . . . . 127 . 50014 4 >> 34 2 1 . . 120.365 . . 1 1 1 7 PHE N . . . . . . . . . . 128 . 50014 4 >> 34 3 1 . . 58.180 . . 1 1 1 7 PHE CA . . . . . . . . . . 129 . 50014 4 >> 35 1 2 . . 8.214 . . 1 1 1 7 PHE H . . . . . . . . . . 127 . 50014 4 >> 35 2 1 . . 120.353 . . 1 1 1 7 PHE N . . . . . . . . . . 128 . 50014 4 >> 35 3 1 . . 54.392 . . 1 1 1 6 ASP CA . . . . . . . . . . 116 . 50014 4 >> 36 1 2 . . 8.214 . . 1 1 1 7 PHE H . . . . . . . . . . 127 . 50014 4 >> 36 2 1 . . 120.359 . . 1 1 1 7 PHE N . . . . . . . . . . 128 . 50014 4 >> 36 3 1 . . 41.129 . . 1 1 1 6 ASP CB . . . . . . . . . . 130 . 50014 4 >> 37 1 2 . . 8.213 . . 1 1 1 7 PHE H . . . . . . . . . . 127 . 50014 4 >> 37 2 1 . . 120.373 . . 1 1 1 7 PHE N . . . . . . . . . . 128 . 50014 4 >> 37 3 1 . . 39.150 . . 1 1 1 7 PHE CB . . . . . . . . . . 176 . 50014 4 >> 38 1 1 . . 8.095 . . 1 1 1 6 ASP H . . . . . . . . . . 113 . 50014 4 >> 38 2 1 . . 120.494 . . 1 1 1 6 ASP N . . . . . . . . . . 114 . 50014 4 >> 38 3 1 . . 54.329 . . 1 1 1 6 ASP CA . . . . . . . . . . 116 . 50014 4 >> 39 1 1 . . 8.096 . . 1 1 1 6 ASP H . . . . . . . . . . 113 . 50014 4 >> 39 2 1 . . 120.530 . . 1 1 1 6 ASP N . . . . . . . . . . 114 . 50014 4 >> 39 3 1 . . 54.132 . . 1 1 1 5 ASP CA . . . . . . . . . . 18 . 50014 4 >> 40 1 1 . . 8.095 . . 1 1 1 6 ASP H . . . . . . . . . . 113 . 50014 4 >> 40 2 1 . . 120.495 . . 1 1 1 6 ASP N . . . . . . . . . . 114 . 50014 4 >> 40 3 1 . . 41.168 . . 1 1 1 6 ASP CB . . . . . . . . . . 130 . 50014 4 >> 41 1 1 . . 8.094 . . 1 1 1 6 ASP H . . . . . . . . . . 113 . 50014 4 >> 41 2 1 . . 120.530 . . 1 1 1 6 ASP N . . . . . . . . . . 114 . 50014 4 >> 41 3 1 . . 41.405 . . 1 1 1 5 ASP CB . . . . . . . . . . 115 . 50014 4 >> 42 1 1 . . 8.258 . . 1 1 1 5 ASP H . . . . . . . . . . 15 . 50014 4 >> 42 2 1 . . 123.612 . . 1 1 1 5 ASP N . . . . . . . . . . 16 . 50014 4 >> 42 3 1 . . 33.083 . . 1 1 1 4 VAL CB . . . . . . . . . . 17 . 50014 4 >> 43 1 1 . . 8.258 . . 1 1 1 5 ASP H . . . . . . . . . . 15 . 50014 4 >> 43 2 1 . . 123.622 . . 1 1 1 5 ASP N . . . . . . . . . . 16 . 50014 4 >> 43 3 1 . . 41.326 . . 1 1 1 5 ASP CB . . . . . . . . . . 115 . 50014 4 >> 44 1 1 . . 8.258 . . 1 1 1 5 ASP H . . . . . . . . . . 15 . 50014 4 >> 44 2 1 . . 123.608 . . 1 1 1 5 ASP N . . . . . . . . . . 16 . 50014 4 >> 44 3 1 . . 54.117 . . 1 1 1 5 ASP CA . . . . . . . . . . 18 . 50014 4 >> 45 1 1 . . 8.258 . . 1 1 1 5 ASP H . . . . . . . . . . 15 . 50014 4 >> 45 2 1 . . 123.616 . . 1 1 1 5 ASP N . . . . . . . . . . 16 . 50014 4 >> 45 3 1 . . 62.027 . . 1 1 1 4 VAL CA . . . . . . . . . . 103 . 50014 4 >> 46 1 1 . . 8.071 . . 1 1 1 4 VAL H . . . . . . . . . . 101 . 50014 4 >> 46 2 1 . . 120.825 . . 1 1 1 4 VAL N . . . . . . . . . . 102 . 50014 4 >> 46 3 1 . . 61.999 . . 1 1 1 4 VAL CA . . . . . . . . . . 103 . 50014 4 >> 47 1 1 . . 8.069 . . 1 1 1 4 VAL H . . . . . . . . . . 101 . 50014 4 >> 47 2 1 . . 120.821 . . 1 1 1 4 VAL N . . . . . . . . . . 102 . 50014 4 >> 47 3 1 . . 55.608 . . 1 1 1 3 MET CA . . . . . . . . . . 104 . 50014 4 >> 48 1 1 . . 8.073 . . 1 1 1 4 VAL H . . . . . . . . . . 101 . 50014 4 >> 48 2 1 . . 120.825 . . 1 1 1 4 VAL N . . . . . . . . . . 102 . 50014 4 >> 48 3 1 . . 32.976 . . 1 1 1 4 VAL CB . . . . . . . . . . 17 . 50014 4 >> 49 1 1 . . 8.072 . . 1 1 1 4 VAL H . . . . . . . . . . 101 . 50014 4 >> 49 2 1 . . 120.820 . . 1 1 1 4 VAL N . . . . . . . . . . 102 . 50014 4 >> 49 3 1 . . 32.922 . . 1 1 1 3 MET CB . . . . . . . . . . 105 . 50014 4 >> 50 1 1 . . 8.501 . . 1 1 1 3 MET H . . . . . . . . . . 90 . 50014 4 >> 50 2 1 . . 120.958 . . 1 1 1 3 MET N . . . . . . . . . . 91 . 50014 4 >> 50 3 1 . . 32.887 . . 1 1 1 3 MET CB . . . . . . . . . . 105 . 50014 4 >> 51 1 1 . . 8.500 . . 1 1 1 3 MET H . . . . . . . . . . 90 . 50014 4 >> 51 2 1 . . 120.965 . . 1 1 1 3 MET N . . . . . . . . . . 91 . 50014 4 >> 51 3 1 . . 32.416 . . 1 1 1 2 PRO CB . . . . . . . . . . 94 . 50014 4 >> 52 1 1 . . 8.501 . . 1 1 1 3 MET H . . . . . . . . . . 90 . 50014 4 >> 52 2 1 . . 120.955 . . 1 1 1 3 MET N . . . . . . . . . . 91 . 50014 4 >> 52 3 1 . . 63.044 . . 1 1 1 2 PRO CA . . . . . . . . . . 92 . 50014 4 >> 53 1 1 . . 8.501 . . 1 1 1 3 MET H . . . . . . . . . . 90 . 50014 4 >> 53 2 1 . . 120.965 . . 1 1 1 3 MET N . . . . . . . . . . 91 . 50014 4 >> 53 3 2 . . 55.602 . . 1 1 1 3 MET CA . . . . . . . . . . 104 . 50014 4 >> 54 1 1 . . 8.219 . . 1 1 1 16 GLY H . . . . . . . . . . 173 . 50014 4 >> 54 2 1 . . 109.869 . . 1 1 1 16 GLY N . . . . . . . . . . 174 . 50014 4 >> 54 3 1 . . 45.297 . . 1 1 1 16 GLY CA . . . . . . . . . . 75 . 50014 4 >> 55 1 1 . . 8.219 . . 1 1 1 16 GLY H . . . . . . . . . . 173 . 50014 4 >> 55 2 1 . . 109.869 . . 1 1 1 16 GLY N . . . . . . . . . . 174 . 50014 4 >> 55 3 1 . . 39.496 . . 1 1 1 15 PHE CB . . . . . . . . . . 191 . 50014 4 >> 56 1 1 . . 8.219 . . 1 1 1 16 GLY H . . . . . . . . . . 173 . 50014 4 >> 56 2 1 . . 109.870 . . 1 1 1 16 GLY N . . . . . . . . . . 174 . 50014 4 >> 56 3 1 . . 58.105 . . 1 1 1 15 PHE CA . . . . . . . . . . 180 . 50014 4 >> 57 1 1 . . 7.992 . . 1 1 1 17 TRP H . . . . . . . . . . 72 . 50014 4 >> 57 2 1 . . 121.225 . . 1 1 1 17 TRP N . . . . . . . . . . 73 . 50014 4 >> 57 3 1 . . 29.370 . . 1 1 1 17 TRP CB . . . . . . . . . . 46 . 50014 4 >> 58 1 1 . . 7.993 . . 1 1 1 17 TRP H . . . . . . . . . . 72 . 50014 4 >> 58 2 1 . . 121.224 . . 1 1 1 17 TRP N . . . . . . . . . . 73 . 50014 4 >> 58 3 1 . . 57.750 . . 1 1 1 17 TRP CA . . . . . . . . . . 74 . 50014 4 >> 59 1 1 . . 8.066 . . 1 1 1 18 ASP H . . . . . . . . . . 43 . 50014 4 >> 59 2 1 . . 122.253 . . 1 1 1 18 ASP N . . . . . . . . . . 44 . 50014 4 >> 59 3 1 . . 40.751 . . 1 1 1 18 ASP CB . . . . . . . . . . 162 . 50014 4 >> 60 1 1 . . 8.066 . . 1 1 1 18 ASP H . . . . . . . . . . 43 . 50014 4 >> 60 2 1 . . 122.248 . . 1 1 1 18 ASP N . . . . . . . . . . 44 . 50014 4 >> 60 3 1 . . 53.906 . . 1 1 1 18 ASP CA . . . . . . . . . . 161 . 50014 4 >> 61 1 1 . . 8.065 . . 1 1 1 18 ASP H . . . . . . . . . . 43 . 50014 4 >> 61 2 1 . . 122.256 . . 1 1 1 18 ASP N . . . . . . . . . . 44 . 50014 4 >> 61 3 1 . . 57.729 . . 1 1 1 17 TRP CA . . . . . . . . . . 74 . 50014 4 >> 62 1 1 . . 8.066 . . 1 1 1 18 ASP H . . . . . . . . . . 43 . 50014 4 >> 62 2 1 . . 122.254 . . 1 1 1 18 ASP N . . . . . . . . . . 44 . 50014 4 >> 62 3 1 . . 29.361 . . 1 1 1 17 TRP CB . . . . . . . . . . 46 . 50014 4 >> 63 1 1 . . 7.397 . . 1 1 1 19 GLY H . . . . . . . . . . 159 . 50014 4 >> 63 2 1 . . 108.106 . . 1 1 1 19 GLY N . . . . . . . . . . 160 . 50014 4 >> 63 3 1 . . 45.677 . . 1 1 1 19 GLY CA . . . . . . . . . . 119 . 50014 4 >> 64 1 1 . . 7.397 . . 1 1 1 19 GLY H . . . . . . . . . . 159 . 50014 4 >> 64 2 1 . . 108.096 . . 1 1 1 19 GLY N . . . . . . . . . . 160 . 50014 4 >> 64 3 1 . . 53.904 . . 1 1 1 18 ASP CA . . . . . . . . . . 161 . 50014 4 >> 65 1 1 . . 7.397 . . 1 1 1 19 GLY H . . . . . . . . . . 159 . 50014 4 >> 65 2 1 . . 108.124 . . 1 1 1 19 GLY N . . . . . . . . . . 160 . 50014 4 >> 65 3 1 . . 40.778 . . 1 1 1 18 ASP CB . . . . . . . . . . 162 . 50014 4 >> 66 1 1 . . 7.907 . . 1 1 1 20 LYS H . . . . . . . . . . 117 . 50014 4 >> 66 2 1 . . 120.187 . . 1 1 1 20 LYS N . . . . . . . . . . 118 . 50014 4 >> 66 3 1 . . 45.664 . . 1 1 1 19 GLY CA . . . . . . . . . . 119 . 50014 4 >> 67 1 1 . . 7.908 . . 1 1 1 20 LYS H . . . . . . . . . . 117 . 50014 4 >> 67 2 1 . . 120.193 . . 1 1 1 20 LYS N . . . . . . . . . . 118 . 50014 4 >> 67 3 1 . . 32.756 . . 1 1 1 20 LYS CB . . . . . . . . . . 134 . 50014 4 >> 68 1 1 . . 7.907 . . 1 1 1 20 LYS H . . . . . . . . . . 117 . 50014 4 >> 68 2 1 . . 120.191 . . 1 1 1 20 LYS N . . . . . . . . . . 118 . 50014 4 >> 68 3 1 . . 56.622 . . 1 1 1 20 LYS CA . . . . . . . . . . 133 . 50014 4 >> 69 1 1 . . 8.279 . . 1 1 1 21 MET H . . . . . . . . . . 131 . 50014 4 >> 69 2 1 . . 120.318 . . 1 1 1 21 MET N . . . . . . . . . . 132 . 50014 4 >> 69 3 1 . . 32.637 . . 1 1 1 21 MET CB . . . . . . . . . . 59 . 50014 4 >> 70 1 1 . . 8.279 . . 1 1 1 21 MET H . . . . . . . . . . 131 . 50014 4 >> 70 2 1 . . 120.323 . . 1 1 1 21 MET N . . . . . . . . . . 132 . 50014 4 >> 70 3 1 . . 56.636 . . 1 1 1 20 LYS CA . . . . . . . . . . 133 . 50014 4 >> 71 1 1 . . 8.278 . . 1 1 1 21 MET H . . . . . . . . . . 131 . 50014 4 >> 71 2 1 . . 120.309 . . 1 1 1 21 MET N . . . . . . . . . . 132 . 50014 4 >> 71 3 1 . . 55.566 . . 1 1 1 21 MET CA . . . . . . . . . . 60 . 50014 4 >> 72 1 1 . . 8.201 . . 1 1 1 22 ARG H . . . . . . . . . . 57 . 50014 4 >> 72 2 1 . . 122.095 . . 1 1 1 22 ARG N . . . . . . . . . . 58 . 50014 4 >> 72 3 1 . . 30.652 . . 1 1 1 22 ARG CB . . . . . . . . . . 187 . 50014 4 >> 73 1 1 . . 8.201 . . 1 1 1 22 ARG H . . . . . . . . . . 57 . 50014 4 >> 73 2 1 . . 122.095 . . 1 1 1 22 ARG N . . . . . . . . . . 58 . 50014 4 >> 73 3 1 . . 56.423 . . 1 1 1 22 ARG CA . . . . . . . . . . 188 . 50014 4 >> 74 1 1 . . 8.200 . . 1 1 1 22 ARG H . . . . . . . . . . 57 . 50014 4 >> 74 2 1 . . 122.077 . . 1 1 1 22 ARG N . . . . . . . . . . 58 . 50014 4 >> 74 3 1 . . 55.592 . . 1 1 1 21 MET CA . . . . . . . . . . 60 . 50014 4 >> 75 1 1 . . 8.206 . . 1 1 1 22 ARG H . . . . . . . . . . 57 . 50014 4 >> 75 2 1 . . 122.130 . . 1 1 1 22 ARG N . . . . . . . . . . 58 . 50014 4 >> 75 3 1 . . 32.650 . . 1 1 1 21 MET CB . . . . . . . . . . 59 . 50014 4 >> 76 1 1 . . 8.285 . . 1 1 1 23 GLY H . . . . . . . . . . 181 . 50014 4 >> 76 2 1 . . 109.675 . . 1 1 1 23 GLY N . . . . . . . . . . 182 . 50014 4 >> 76 3 1 . . 56.486 . . 1 1 1 22 ARG CA . . . . . . . . . . 188 . 50014 4 >> 77 1 1 . . 8.287 . . 1 1 1 23 GLY H . . . . . . . . . . 181 . 50014 4 >> 77 2 1 . . 109.679 . . 1 1 1 23 GLY N . . . . . . . . . . 182 . 50014 4 >> 77 3 1 . . 30.624 . . 1 1 1 22 ARG CB . . . . . . . . . . 187 . 50014 4 >> 78 1 1 . . 8.287 . . 1 1 1 23 GLY H . . . . . . . . . . 181 . 50014 4 >> 78 2 1 . . 109.683 . . 1 1 1 23 GLY N . . . . . . . . . . 182 . 50014 4 >> 78 3 1 . . 45.254 . . 1 1 1 23 GLY CA . . . . . . . . . . 108 . 50014 4 >> 79 1 1 . . 8.090 . . 1 1 1 24 LYS H . . . . . . . . . . 106 . 50014 4 >> 79 2 1 . . 120.845 . . 1 1 1 24 LYS N . . . . . . . . . . 107 . 50014 4 >> 79 3 1 . . 45.176 . . 1 1 1 23 GLY CA . . . . . . . . . . 108 . 50014 4 >> 80 1 1 . . 8.088 . . 1 1 1 24 LYS H . . . . . . . . . . 106 . 50014 4 >> 80 2 1 . . 120.837 . . 1 1 1 24 LYS N . . . . . . . . . . 107 . 50014 4 >> 80 3 1 . . 56.251 . . 1 1 1 24 LYS CA . . . . . . . . . . 78 . 50014 4 >> 81 1 1 . . 8.047 . . 1 1 1 25 VAL H . . . . . . . . . . 76 . 50014 4 >> 81 2 1 . . 121.284 . . 1 1 1 25 VAL N . . . . . . . . . . 77 . 50014 4 >> 81 3 2 . . 32.778 . . 1 1 1 25 VAL CB . . . . . . . . . . 4 . 50014 4 >> 82 1 1 . . 8.047 . . 1 1 1 25 VAL H . . . . . . . . . . 76 . 50014 4 >> 82 2 1 . . 121.277 . . 1 1 1 25 VAL N . . . . . . . . . . 77 . 50014 4 >> 82 3 1 . . 56.217 . . 1 1 1 24 LYS CA . . . . . . . . . . 78 . 50014 4 >> 83 1 1 . . 8.047 . . 1 1 1 25 VAL H . . . . . . . . . . 76 . 50014 4 >> 83 2 1 . . 121.282 . . 1 1 1 25 VAL N . . . . . . . . . . 77 . 50014 4 >> 83 3 2 . . 62.442 . . 1 1 1 25 VAL CA . . . . . . . . . . 251 . 50014 4 >> 84 1 2 . . 8.280 . . 1 1 1 43 LYS H . . . . . . . . . . 194 . 50014 4 >> 84 2 2 . . 124.641 . . 1 1 1 43 LYS N . . . . . . . . . . 195 . 50014 4 >> 84 3 3 . . 32.842 . . 1 1 1 43 LYS CB . . . . . . . . . . 33 . 50014 4 >> 85 1 1 . . 8.281 . . 1 1 1 43 LYS H . . . . . . . . . . 194 . 50014 4 >> 85 2 1 . . 124.654 . . 1 1 1 43 LYS N . . . . . . . . . . 195 . 50014 4 >> 85 3 3 . . 62.448 . . 1 1 1 42 VAL CA . . . . . . . . . . 205 . 50014 4 >> 86 1 1 . . 8.280 . . 1 1 1 43 LYS H . . . . . . . . . . 194 . 50014 4 >> 86 2 1 . . 124.644 . . 1 1 1 43 LYS N . . . . . . . . . . 195 . 50014 4 >> 86 3 2 . . 56.397 . . 1 1 1 43 LYS CA . . . . . . . . . . 199 . 50014 4 >> 87 1 1 . . 7.998 . . 1 1 1 39 ALA H . . . . . . . . . . 24 . 50014 4 >> 87 2 1 . . 123.570 . . 1 1 1 39 ALA N . . . . . . . . . . 25 . 50014 4 >> 87 3 1 . . 52.518 . . 1 1 1 39 ALA CA . . . . . . . . . . 145 . 50014 4 >> 88 1 1 . . 7.998 . . 1 1 1 39 ALA H . . . . . . . . . . 24 . 50014 4 >> 88 2 1 . . 123.561 . . 1 1 1 39 ALA N . . . . . . . . . . 25 . 50014 4 >> 88 3 1 . . 45.301 . . 1 1 1 38 GLY CA . . . . . . . . . . 26 . 50014 4 >> 89 1 1 . . 7.998 . . 1 1 1 39 ALA H . . . . . . . . . . 24 . 50014 4 >> 89 2 1 . . 123.564 . . 1 1 1 39 ALA N . . . . . . . . . . 25 . 50014 4 >> 89 3 1 . . 19.244 . . 1 1 1 39 ALA CB . . . . . . . . . . 146 . 50014 4 >> 90 1 1 . . 8.359 . . 1 1 1 38 GLY H . . . . . . . . . . 167 . 50014 4 >> 90 2 1 . . 109.287 . . 1 1 1 38 GLY N . . . . . . . . . . 168 . 50014 4 >> 90 3 1 . . 55.534 . . 1 1 1 37 LEU CA . . . . . . . . . . 185 . 50014 4 >> 91 1 1 . . 8.356 . . 1 1 1 38 GLY H . . . . . . . . . . 167 . 50014 4 >> 91 2 1 . . 109.289 . . 1 1 1 38 GLY N . . . . . . . . . . 168 . 50014 4 >> 91 3 1 . . 45.312 . . 1 1 1 38 GLY CA . . . . . . . . . . 26 . 50014 4 >> 92 1 1 . . 8.358 . . 1 1 1 38 GLY H . . . . . . . . . . 167 . 50014 4 >> 92 2 1 . . 109.270 . . 1 1 1 38 GLY N . . . . . . . . . . 168 . 50014 4 >> 92 3 1 . . 42.216 . . 1 1 1 37 LEU CB . . . . . . . . . . 184 . 50014 4 >> 93 1 1 . . 7.988 . . 1 1 1 37 LEU H . . . . . . . . . . 70 . 50014 4 >> 93 2 1 . . 121.396 . . 1 1 1 37 LEU N . . . . . . . . . . 71 . 50014 4 >> 93 3 1 . . 42.255 . . 1 1 1 37 LEU CB . . . . . . . . . . 184 . 50014 4 >> 94 1 1 . . 7.987 . . 1 1 1 37 LEU H . . . . . . . . . . 70 . 50014 4 >> 94 2 1 . . 121.410 . . 1 1 1 37 LEU N . . . . . . . . . . 71 . 50014 4 >> 94 3 1 . . 55.548 . . 1 1 1 37 LEU CA . . . . . . . . . . 185 . 50014 4 >> 95 1 1 . . 7.989 . . 1 1 1 37 LEU H . . . . . . . . . . 70 . 50014 4 >> 95 2 1 . . 121.335 . . 1 1 1 37 LEU N . . . . . . . . . . 71 . 50014 4 >> 95 3 1 . . 45.361 . . 1 1 1 36 GLY CA . . . . . . . . . . 165 . 50014 4 >> 96 1 1 . . 8.169 . . 1 1 1 36 GLY H . . . . . . . . . . 163 . 50014 4 >> 96 2 1 . . 107.528 . . 1 1 1 36 GLY N . . . . . . . . . . 164 . 50014 4 >> 96 3 1 . . 45.394 . . 1 1 1 36 GLY CA . . . . . . . . . . 165 . 50014 4 >> 97 1 1 . . 8.168 . . 1 1 1 36 GLY H . . . . . . . . . . 163 . 50014 4 >> 97 2 1 . . 107.520 . . 1 1 1 36 GLY N . . . . . . . . . . 164 . 50014 4 >> 97 3 1 . . 52.938 . . 1 1 1 35 ALA CA . . . . . . . . . . 22 . 50014 4 >> 98 1 1 . . 8.167 . . 1 1 1 36 GLY H . . . . . . . . . . 163 . 50014 4 >> 98 2 1 . . 107.533 . . 1 1 1 36 GLY N . . . . . . . . . . 164 . 50014 4 >> 98 3 1 . . 19.016 . . 1 1 1 35 ALA CB . . . . . . . . . . 166 . 50014 4 >> 99 1 1 . . 8.135 . . 1 1 1 35 ALA H . . . . . . . . . . 20 . 50014 4 >> 99 2 1 . . 123.634 . . 1 1 1 35 ALA N . . . . . . . . . . 21 . 50014 4 >> 99 3 1 . . 19.024 . . 1 1 1 35 ALA CB . . . . . . . . . . 166 . 50014 4 >> 100 1 1 . . 8.135 . . 1 1 1 35 ALA H . . . . . . . . . . 20 . 50014 4 >> 100 2 1 . . 123.650 . . 1 1 1 35 ALA N . . . . . . . . . . 21 . 50014 4 >> 100 3 1 . . 42.094 . . 1 1 1 34 LEU CB . . . . . . . . . . 23 . 50014 4 >> 101 1 1 . . 8.135 . . 1 1 1 35 ALA H . . . . . . . . . . 20 . 50014 4 >> 101 2 1 . . 123.633 . . 1 1 1 35 ALA N . . . . . . . . . . 21 . 50014 4 >> 101 3 1 . . 52.909 . . 1 1 1 35 ALA CA . . . . . . . . . . 22 . 50014 4 >> 102 1 1 . . 8.136 . . 1 1 1 35 ALA H . . . . . . . . . . 20 . 50014 4 >> 102 2 1 . . 123.636 . . 1 1 1 35 ALA N . . . . . . . . . . 21 . 50014 4 >> 102 3 1 . . 55.486 . . 1 1 1 34 LEU CA . . . . . . . . . . 41 . 50014 4 >> 103 1 1 . . 8.096 . . 1 1 1 34 LEU H . . . . . . . . . . 39 . 50014 4 >> 103 2 1 . . 122.484 . . 1 1 1 34 LEU N . . . . . . . . . . 40 . 50014 4 >> 103 3 1 . . 42.083 . . 1 1 1 34 LEU CB . . . . . . . . . . 23 . 50014 4 >> 104 1 1 . . 8.094 . . 1 1 1 34 LEU H . . . . . . . . . . 39 . 50014 4 >> 104 2 1 . . 122.475 . . 1 1 1 34 LEU N . . . . . . . . . . 40 . 50014 4 >> 104 3 2 . . 55.477 . . 1 1 1 34 LEU CA . . . . . . . . . . 41 . 50014 4 >> 105 1 1 . . 8.094 . . 1 1 1 34 LEU H . . . . . . . . . . 39 . 50014 4 >> 105 2 1 . . 122.465 . . 1 1 1 34 LEU N . . . . . . . . . . 40 . 50014 4 >> 105 3 1 . . 53.257 . . 1 1 1 33 ASN CA . . . . . . . . . . 153 . 50014 4 >> 106 1 1 . . 8.095 . . 1 1 1 34 LEU H . . . . . . . . . . 39 . 50014 4 >> 106 2 1 . . 122.481 . . 1 1 1 34 LEU N . . . . . . . . . . 40 . 50014 4 >> 106 3 1 . . 38.503 . . 1 1 1 33 ASN CB . . . . . . . . . . 42 . 50014 4 >> 107 1 1 . . 8.255 . . 1 1 1 33 ASN H . . . . . . . . . . 151 . 50014 4 >> 107 2 1 . . 117.180 . . 1 1 1 33 ASN N . . . . . . . . . . 152 . 50014 4 >> 107 3 1 . . 53.207 . . 1 1 1 33 ASN CA . . . . . . . . . . 153 . 50014 4 >> 108 1 1 . . 8.253 . . 1 1 1 33 ASN H . . . . . . . . . . 151 . 50014 4 >> 108 2 1 . . 117.195 . . 1 1 1 33 ASN N . . . . . . . . . . 152 . 50014 4 >> 108 3 1 . . 38.519 . . 1 1 1 33 ASN CB . . . . . . . . . . 42 . 50014 4 >> 109 1 1 . . 8.254 . . 1 1 1 33 ASN H . . . . . . . . . . 151 . 50014 4 >> 109 2 1 . . 117.186 . . 1 1 1 33 ASN N . . . . . . . . . . 152 . 50014 4 >> 109 3 1 . . 19.298 . . 1 1 1 32 ALA CB . . . . . . . . . . 154 . 50014 4 >> 110 1 1 . . 8.142 . . 1 1 1 32 ALA H . . . . . . . . . . 5 . 50014 4 >> 110 2 1 . . 124.789 . . 1 1 1 32 ALA N . . . . . . . . . . 6 . 50014 4 >> 110 3 1 . . 52.750 . . 1 1 1 32 ALA CA . . . . . . . . . . 8 . 50014 4 >> 111 1 1 . . 8.142 . . 1 1 1 32 ALA H . . . . . . . . . . 5 . 50014 4 >> 111 2 1 . . 124.798 . . 1 1 1 32 ALA N . . . . . . . . . . 6 . 50014 4 >> 111 3 1 . . 38.701 . . 1 1 1 31 TYR CB . . . . . . . . . . 7 . 50014 4 >> 112 1 1 . . 8.142 . . 1 1 1 32 ALA H . . . . . . . . . . 5 . 50014 4 >> 112 2 1 . . 124.792 . . 1 1 1 32 ALA N . . . . . . . . . . 6 . 50014 4 >> 112 3 1 . . 19.315 . . 1 1 1 32 ALA CB . . . . . . . . . . 154 . 50014 4 >> 113 1 1 . . 8.121 . . 1 1 1 31 TYR H . . . . . . . . . . 109 . 50014 4 >> 113 2 1 . . 120.631 . . 1 1 1 31 TYR N . . . . . . . . . . 110 . 50014 4 >> 113 3 1 . . 57.757 . . 1 1 1 31 TYR CA . . . . . . . . . . 111 . 50014 4 >> 114 1 1 . . 8.122 . . 1 1 1 31 TYR H . . . . . . . . . . 109 . 50014 4 >> 114 2 1 . . 120.623 . . 1 1 1 31 TYR N . . . . . . . . . . 110 . 50014 4 >> 114 3 1 . . 38.683 . . 1 1 1 31 TYR CB . . . . . . . . . . 7 . 50014 4 >> 115 1 1 . . 8.121 . . 1 1 1 31 TYR H . . . . . . . . . . 109 . 50014 4 >> 115 2 1 . . 120.613 . . 1 1 1 31 TYR N . . . . . . . . . . 110 . 50014 4 >> 115 3 1 . . 30.833 . . 1 1 1 30 ARG CB . . . . . . . . . . 112 . 50014 4 >> 116 1 1 . . 8.112 . . 1 1 1 31 TYR H . . . . . . . . . . 109 . 50014 4 >> 116 2 1 . . 120.681 . . 1 1 1 31 TYR N . . . . . . . . . . 110 . 50014 4 >> 116 3 1 . . 56.223 . . 1 1 1 30 ARG CA . . . . . . . . . . 56 . 50014 4 >> 117 1 1 . . 8.207 . . 1 1 1 40 ARG H . . . . . . . . . . 143 . 50014 4 >> 117 2 1 . . 119.651 . . 1 1 1 40 ARG N . . . . . . . . . . 144 . 50014 4 >> 117 3 1 . . 56.105 . . 1 1 1 40 ARG CA . . . . . . . . . . 140 . 50014 4 >> 118 1 1 . . 8.206 . . 1 1 1 40 ARG H . . . . . . . . . . 143 . 50014 4 >> 118 2 1 . . 119.657 . . 1 1 1 40 ARG N . . . . . . . . . . 144 . 50014 4 >> 118 3 1 . . 52.487 . . 1 1 1 39 ALA CA . . . . . . . . . . 145 . 50014 4 >> 119 1 1 . . 8.207 . . 1 1 1 40 ARG H . . . . . . . . . . 143 . 50014 4 >> 119 2 1 . . 119.656 . . 1 1 1 40 ARG N . . . . . . . . . . 144 . 50014 4 >> 119 3 1 . . 19.213 . . 1 1 1 39 ALA CB . . . . . . . . . . 146 . 50014 4 >> 120 1 1 . . 8.207 . . 1 1 1 40 ARG H . . . . . . . . . . 143 . 50014 4 >> 120 2 1 . . 119.667 . . 1 1 1 40 ARG N . . . . . . . . . . 144 . 50014 4 >> 120 3 1 . . 30.728 . . 1 1 1 40 ARG CB . . . . . . . . . . 142 . 50014 4 >> 121 1 1 . . 8.392 . . 1 1 1 41 ASN H . . . . . . . . . . 138 . 50014 4 >> 121 2 1 . . 119.878 . . 1 1 1 41 ASN N . . . . . . . . . . 139 . 50014 4 >> 121 3 2 . . 30.737 . . 1 1 1 40 ARG CB . . . . . . . . . . 142 . 50014 4 >> 122 1 1 . . 8.392 . . 1 1 1 41 ASN H . . . . . . . . . . 138 . 50014 4 >> 122 2 1 . . 119.870 . . 1 1 1 41 ASN N . . . . . . . . . . 139 . 50014 4 >> 122 3 1 . . 56.122 . . 1 1 1 40 ARG CA . . . . . . . . . . 140 . 50014 4 >> 123 1 1 . . 8.392 . . 1 1 1 41 ASN H . . . . . . . . . . 138 . 50014 4 >> 123 2 1 . . 119.871 . . 1 1 1 41 ASN N . . . . . . . . . . 139 . 50014 4 >> 123 3 1 . . 38.785 . . 1 1 1 41 ASN CB . . . . . . . . . . 126 . 50014 4 >> 124 1 1 . . 8.392 . . 1 1 1 41 ASN H . . . . . . . . . . 138 . 50014 4 >> 124 2 1 . . 119.875 . . 1 1 1 41 ASN N . . . . . . . . . . 139 . 50014 4 >> 124 3 1 . . 53.231 . . 1 1 1 41 ASN CA . . . . . . . . . . 141 . 50014 4 >> 125 1 1 . . 7.979 . . 1 1 1 42 VAL H . . . . . . . . . . 200 . 50014 4 >> 125 2 1 . . 120.208 . . 1 1 1 42 VAL N . . . . . . . . . . 201 . 50014 4 >> 125 3 2 . . 32.732 . . 1 1 1 42 VAL CB . . . . . . . . . . 250 . 50014 4 >> 126 1 1 . . 7.979 . . 1 1 1 42 VAL H . . . . . . . . . . 200 . 50014 4 >> 126 2 1 . . 120.212 . . 1 1 1 42 VAL N . . . . . . . . . . 201 . 50014 4 >> 126 3 1 . . 62.431 . . 1 1 1 42 VAL CA . . . . . . . . . . 205 . 50014 4 >> 127 1 1 . . 7.980 . . 1 1 1 42 VAL H . . . . . . . . . . 200 . 50014 4 >> 127 2 2 . . 120.218 . . 1 1 1 42 VAL N . . . . . . . . . . 201 . 50014 4 >> 127 3 1 . . 53.199 . . 1 1 1 41 ASN CA . . . . . . . . . . 141 . 50014 4 >> 128 1 1 . . 7.979 . . 1 1 1 42 VAL H . . . . . . . . . . 200 . 50014 4 >> 128 2 3 . . 120.215 . . 1 1 1 42 VAL N . . . . . . . . . . 201 . 50014 4 >> 128 3 1 . . 38.782 . . 1 1 1 41 ASN CB . . . . . . . . . . 126 . 50014 4 >> 129 1 1 . . 8.089 . . 1 1 1 24 LYS H . . . . . . . . . . 106 . 50014 4 >> 129 2 1 . . 120.832 . . 1 1 1 24 LYS N . . . . . . . . . . 107 . 50014 4 >> 129 3 1 . . 33.156 . . 1 1 1 24 LYS CB . . . . . . . . . . 79 . 50014 4 >> 130 1 1 . . 8.225 . . 1 1 1 45 ALA H . . . . . . . . . . 11 . 50014 4 >> 130 2 1 . . 124.437 . . 1 1 1 45 ALA N . . . . . . . . . . 12 . 50014 4 >> 130 3 1 . . 19.365 . . 1 1 1 45 ALA CB . . . . . . . . . . 137 . 50014 4 >> 131 1 1 . . 8.225 . . 1 1 1 45 ALA H . . . . . . . . . . 11 . 50014 4 >> 131 2 1 . . 124.435 . . 1 1 1 45 ALA N . . . . . . . . . . 12 . 50014 4 >> 131 3 1 . . 30.190 . . 1 1 1 44 GLU CB . . . . . . . . . . 14 . 50014 4 >> 132 1 1 . . 8.225 . . 1 1 1 45 ALA H . . . . . . . . . . 11 . 50014 4 >> 132 2 1 . . 124.438 . . 1 1 1 45 ALA N . . . . . . . . . . 12 . 50014 4 >> 132 3 1 . . 52.534 . . 1 1 1 45 ALA CA . . . . . . . . . . 13 . 50014 4 >> 133 1 1 . . 8.226 . . 1 1 1 45 ALA H . . . . . . . . . . 11 . 50014 4 >> 133 2 1 . . 124.429 . . 1 1 1 45 ALA N . . . . . . . . . . 12 . 50014 4 >> 133 3 1 . . 56.635 . . 1 1 1 44 GLU CA . . . . . . . . . . 34 . 50014 4 >> 134 1 1 . . 8.358 . . 1 1 1 46 GLU H . . . . . . . . . . 135 . 50014 4 >> 134 2 1 . . 120.244 . . 1 1 1 46 GLU N . . . . . . . . . . 136 . 50014 4 >> 134 3 1 . . 52.522 . . 1 1 1 45 ALA CA . . . . . . . . . . 13 . 50014 4 >> 135 1 1 . . 8.357 . . 1 1 1 46 GLU H . . . . . . . . . . 135 . 50014 4 >> 135 2 1 . . 120.242 . . 1 1 1 46 GLU N . . . . . . . . . . 136 . 50014 4 >> 135 3 1 . . 56.562 . . 1 1 1 46 GLU CA . . . . . . . . . . 87 . 50014 4 >> 136 1 2 . . 8.358 . . 1 1 1 46 GLU H . . . . . . . . . . 135 . 50014 4 >> 136 2 1 . . 120.249 . . 1 1 1 46 GLU N . . . . . . . . . . 136 . 50014 4 >> 136 3 1 . . 19.358 . . 1 1 1 45 ALA CB . . . . . . . . . . 137 . 50014 4 >> 137 1 1 . . 8.358 . . 1 1 1 46 GLU H . . . . . . . . . . 135 . 50014 4 >> 137 2 1 . . 120.242 . . 1 1 1 46 GLU N . . . . . . . . . . 136 . 50014 4 >> 137 3 1 . . 30.182 . . 1 1 1 46 GLU CB . . . . . . . . . . 95 . 50014 4 >> 138 1 1 . . 8.279 . . 1 1 1 47 ASP H . . . . . . . . . . 85 . 50014 4 >> 138 2 1 . . 121.056 . . 1 1 1 47 ASP N . . . . . . . . . . 86 . 50014 4 >> 138 3 1 . . 56.598 . . 1 1 1 46 GLU CA . . . . . . . . . . 87 . 50014 4 >> 139 1 1 . . 8.359 . . 1 1 1 44 GLU H . . . . . . . . . . 31 . 50014 4 >> 139 2 1 . . 122.432 . . 1 1 1 44 GLU N . . . . . . . . . . 32 . 50014 4 >> 139 3 1 . . 30.173 . . 1 1 1 44 GLU CB . . . . . . . . . . 14 . 50014 4 >> 140 1 1 . . 8.358 . . 1 1 1 44 GLU H . . . . . . . . . . 31 . 50014 4 >> 140 2 1 . . 122.434 . . 1 1 1 44 GLU N . . . . . . . . . . 32 . 50014 4 >> 140 3 1 . . 32.952 . . 1 1 1 43 LYS CB . . . . . . . . . . 33 . 50014 4 >> 141 1 1 . . 8.359 . . 1 1 1 44 GLU H . . . . . . . . . . 31 . 50014 4 >> 141 2 1 . . 122.428 . . 1 1 1 44 GLU N . . . . . . . . . . 32 . 50014 4 >> 141 3 1 . . 56.606 . . 1 1 1 44 GLU CA . . . . . . . . . . 34 . 50014 4 >> 142 1 1 . . 8.166 . . 1 1 1 28 VAL H . . . . . . . . . . 35 . 50014 4 >> 142 2 1 . . 122.317 . . 1 1 1 28 VAL N . . . . . . . . . . 36 . 50014 4 >> 142 3 1 . . 32.663 . . 1 1 1 28 VAL CB . . . . . . . . . . 203 . 50014 4 >> 143 1 1 . . 8.166 . . 1 1 1 28 VAL H . . . . . . . . . . 35 . 50014 4 >> 143 2 1 . . 122.334 . . 1 1 1 28 VAL N . . . . . . . . . . 36 . 50014 4 >> 143 3 1 . . 62.508 . . 1 1 1 28 VAL CA . . . . . . . . . . 37 . 50014 4 >> 144 1 1 . . 8.164 . . 1 1 1 30 ARG H . . . . . . . . . . 51 . 50014 4 >> 144 2 1 . . 122.236 . . 1 1 1 30 ARG N . . . . . . . . . . 52 . 50014 4 >> 145 1 1 . . 8.164 . . 1 1 1 30 ARG H . . . . . . . . . . 51 . 50014 4 >> 145 2 1 . . 122.227 . . 1 1 1 30 ARG N . . . . . . . . . . 52 . 50014 4 >> 145 3 1 . . 56.328 . . 1 1 1 30 ARG CA . . . . . . . . . . 56 . 50014 4 >> 146 1 1 . . 8.302 . . 1 1 1 26 LYS H . . . . . . . . . . 254 . 50014 4 >> 146 2 1 . . 125.123 . . 1 1 1 26 LYS N . . . . . . . . . . 255 . 50014 4 >> 146 3 1 . . 62.487 . . 1 1 1 25 VAL CA . . . . . . . . . . 251 . 50014 4 >> 147 1 1 . . 8.302 . . 1 1 1 26 LYS H . . . . . . . . . . 254 . 50014 4 >> 147 2 1 . . 125.141 . . 1 1 1 26 LYS N . . . . . . . . . . 255 . 50014 4 >> 147 3 2 . . 56.430 . . 1 1 1 26 LYS CA . . . . . . . . . . 261 . 50014 4 >> 148 1 1 . . 8.305 . . 1 1 1 26 LYS H . . . . . . . . . . 254 . 50014 4 >> 148 2 1 . . 125.091 . . 1 1 1 26 LYS N . . . . . . . . . . 255 . 50014 4 >> 148 3 1 . . 32.964 . . 1 1 1 26 LYS CB . . . . . . . . . . 262 . 50014 4 >> 149 1 1 . . 8.286 . . 1 1 1 27 GLU H . . . . . . . . . . 27 . 50014 4 >> 149 2 1 . . 122.823 . . 1 1 1 27 GLU N . . . . . . . . . . 28 . 50014 4 >> 149 3 1 . . 30.403 . . 1 1 1 27 GLU CB . . . . . . . . . . 38 . 50014 4 >> 150 1 1 . . 8.287 . . 1 1 1 27 GLU H . . . . . . . . . . 27 . 50014 4 >> 150 2 1 . . 122.798 . . 1 1 1 27 GLU N . . . . . . . . . . 28 . 50014 4 >> 150 3 1 . . 32.959 . . 1 1 1 26 LYS CB . . . . . . . . . . 262 . 50014 4 >> 151 1 1 . . 8.286 . . 1 1 1 27 GLU H . . . . . . . . . . 27 . 50014 4 >> 151 2 1 . . 122.812 . . 1 1 1 27 GLU N . . . . . . . . . . 28 . 50014 4 >> 151 3 1 . . 56.449 . . 1 1 1 27 GLU CA . . . . . . . . . . 30 . 50014 4 >> 152 1 1 . . 8.302 . . 1 1 1 29 LYS H . . . . . . . . . . 252 . 50014 4 >> 152 2 1 . . 125.095 . . 1 1 1 29 LYS N . . . . . . . . . . 253 . 50014 4 >> 152 3 1 . . 32.802 . . 1 1 1 29 LYS CB . . . . . . . . . . 53 . 50014 4 >> >> stop_ >> >>save_ >> ; save_ save_spectral_peak_list_5 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label . _Number_of_spectral_dimensions . loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H HN 2 N N 3 C CO stop_ _Sample_label $sample_1 _Sample_conditions_label $sample_conditions_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_spectral_peak_list_5 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode spectral_peak_list_5 >> _Spectral_peak_list.Entry_ID 50014 >> _Spectral_peak_list.ID 5 >> _Spectral_peak_list.Name . >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $sample_1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $sample_conditions_1 >> _Spectral_peak_list.Chem_shift_reference_ID . >> _Spectral_peak_list.Chem_shift_reference_label . >> _Spectral_peak_list.Experiment_ID 6 >> _Spectral_peak_list.Experiment_name . >> _Spectral_peak_list.Experiment_class . >> _Spectral_peak_list.Experiment_type . >> _Spectral_peak_list.Number_of_spectral_dimensions . >> _Spectral_peak_list.Chemical_shift_list . >> _Spectral_peak_list.Assigned_chem_shift_list_ID 1 >> _Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1 >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _Spectral_dim.Axis_code >> _Spectral_dim.Spectrometer_frequency >> _Spectral_dim.Atom_type >> _Spectral_dim.Atom_isotope_number >> _Spectral_dim.Spectral_region >> _Spectral_dim.Magnetization_linkage_ID >> _Spectral_dim.Under_sampling_type >> _Spectral_dim.Sweep_width >> _Spectral_dim.Sweep_width_units >> _Spectral_dim.Value_first_point >> _Spectral_dim.Absolute_peak_positions >> _Spectral_dim.Acquisition >> _Spectral_dim.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_reduced_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 . . H 1 HN . folded 9803.92156863 Hz . . . . . . 50014 5 >> 2 . . N 15 N . folded 1421.26208073 Hz . . . . . . 50014 5 >> 3 . . C 13 CO . folded 1803.75180375 Hz . . . . . . 50014 5 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Restraint >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . . 50014 5 >> 2 1.0 . . 50014 5 >> 3 1.0 . . 50014 5 >> 4 1.0 . . 50014 5 >> 5 1.0 . . 50014 5 >> 6 1.0 . . 50014 5 >> 7 1.0 . . 50014 5 >> 8 1.0 . . 50014 5 >> 9 1.0 . . 50014 5 >> 10 1.0 . . 50014 5 >> 11 1.0 . . 50014 5 >> 12 1.0 . . 50014 5 >> 13 1.0 . . 50014 5 >> 14 1.0 . . 50014 5 >> 15 1.0 . . 50014 5 >> 16 1.0 . . 50014 5 >> 17 1.0 . . 50014 5 >> 18 1.0 . . 50014 5 >> 19 1.0 . . 50014 5 >> 20 1.0 . . 50014 5 >> 21 1.0 . . 50014 5 >> 22 1.0 . . 50014 5 >> 23 1.0 . . 50014 5 >> 24 1.0 . . 50014 5 >> 25 1.0 . . 50014 5 >> 26 1.0 . . 50014 5 >> 27 1.0 . . 50014 5 >> 28 1.0 . . 50014 5 >> 29 1.0 . . 50014 5 >> 30 1.0 . . 50014 5 >> 31 1.0 . . 50014 5 >> 32 1.0 . . 50014 5 >> 33 1.0 . . 50014 5 >> 34 1.0 . . 50014 5 >> 35 1.0 . . 50014 5 >> 36 1.0 . . 50014 5 >> 37 1.0 . . 50014 5 >> 38 1.0 . . 50014 5 >> 39 1.0 . . 50014 5 >> 40 1.0 . . 50014 5 >> 41 1.0 . . 50014 5 >> 42 1.0 . . 50014 5 >> 43 1.0 . . 50014 5 >> 44 1.0 . . 50014 5 >> >> stop_ >> >> loop_ >> _Peak_general_char.Peak_ID >> _Peak_general_char.Intensity_val >> _Peak_general_char.Intensity_val_err >> _Peak_general_char.Measurement_method >> _Peak_general_char.Entry_ID >> _Peak_general_char.Spectral_peak_list_ID >> >> 1 13746686.00 . height 50014 5 >> 1 291169000.00 . volume 50014 5 >> 2 10769659.00 . height 50014 5 >> 2 240992975.50 . volume 50014 5 >> 3 7722345.50 . height 50014 5 >> 3 159240595.75 . volume 50014 5 >> 4 21211400.00 . height 50014 5 >> 4 418167639.00 . volume 50014 5 >> 5 26184916.00 . height 50014 5 >> 5 506497606.00 . volume 50014 5 >> 6 21639602.00 . height 50014 5 >> 6 433631184.00 . volume 50014 5 >> 7 16272713.00 . height 50014 5 >> 7 325651707.00 . volume 50014 5 >> 8 14092411.00 . height 50014 5 >> 8 285543809.50 . volume 50014 5 >> 9 13129164.00 . height 50014 5 >> 9 266821542.00 . volume 50014 5 >> 10 21103036.00 . height 50014 5 >> 10 424043058.00 . volume 50014 5 >> 11 13124139.00 . height 50014 5 >> 11 270120624.00 . volume 50014 5 >> 12 21047244.00 . height 50014 5 >> 12 445700899.00 . volume 50014 5 >> 13 8939027.00 . height 50014 5 >> 13 186275360.00 . volume 50014 5 >> 14 13462246.00 . height 50014 5 >> 14 276157243.00 . volume 50014 5 >> 15 17959014.00 . height 50014 5 >> 15 368334845.00 . volume 50014 5 >> 16 18565954.00 . height 50014 5 >> 16 370197970.00 . volume 50014 5 >> 17 13491390.00 . height 50014 5 >> 17 274054455.50 . volume 50014 5 >> 18 8611181.00 . height 50014 5 >> 18 182402659.50 . volume 50014 5 >> 19 20095164.00 . height 50014 5 >> 19 406227487.00 . volume 50014 5 >> 20 20733210.00 . height 50014 5 >> 20 416709508.00 . volume 50014 5 >> 21 16897688.00 . height 50014 5 >> 21 336400739.00 . volume 50014 5 >> 22 10792882.00 . height 50014 5 >> 22 222316026.00 . volume 50014 5 >> 23 10204218.00 . height 50014 5 >> 23 213296923.00 . volume 50014 5 >> 24 25247096.00 . height 50014 5 >> 24 505939193.00 . volume 50014 5 >> 25 22472796.00 . height 50014 5 >> 25 452697650.00 . volume 50014 5 >> 26 10497536.00 . height 50014 5 >> 26 219463919.50 . volume 50014 5 >> 27 22491508.00 . height 50014 5 >> 27 457857105.00 . volume 50014 5 >> 28 21794130.00 . height 50014 5 >> 28 441957026.00 . volume 50014 5 >> 29 9908736.00 . height 50014 5 >> 29 204261112.50 . volume 50014 5 >> 30 18630152.00 . height 50014 5 >> 30 377473000.00 . volume 50014 5 >> 31 14097466.00 . height 50014 5 >> 31 291344121.00 . volume 50014 5 >> 32 23093106.00 . height 50014 5 >> 32 465243377.00 . volume 50014 5 >> 33 12560092.00 . height 50014 5 >> 33 259945551.00 . volume 50014 5 >> 34 4553432.50 . height 50014 5 >> 34 97595962.25 . volume 50014 5 >> 35 11767958.00 . height 50014 5 >> 35 242243488.50 . volume 50014 5 >> 36 10054360.00 . height 50014 5 >> 36 208252800.00 . volume 50014 5 >> 37 4255378.00 . height 50014 5 >> 37 91022924.50 . volume 50014 5 >> 38 6746562.00 . height 50014 5 >> 38 142816975.50 . volume 50014 5 >> 39 6377523.00 . height 50014 5 >> 39 134667790.50 . volume 50014 5 >> 40 5421825.00 . height 50014 5 >> 40 116222880.50 . volume 50014 5 >> 41 16582858.00 . height 50014 5 >> 41 345383830.50 . volume 50014 5 >> 42 9654355.00 . height 50014 5 >> 42 200808460.50 . volume 50014 5 >> 43 8180799.50 . height 50014 5 >> 43 173855806.50 . volume 50014 5 >> 44 8512033.00 . height 50014 5 >> 44 181917547.50 . volume 50014 5 >> >> stop_ >> >> loop_ >> _Peak_char.Peak_ID >> _Peak_char.Spectral_dim_ID >> _Peak_char.Chem_shift_val >> _Peak_char.Chem_shift_val_err >> _Peak_char.Line_width_val >> _Peak_char.Line_width_val_err >> _Peak_char.Phase_val >> _Peak_char.Phase_val_err >> _Peak_char.Decay_rate_val >> _Peak_char.Decay_rate_val_err >> _Peak_char.Coupling_pattern >> _Peak_char.Bounding_box_upper_val >> _Peak_char.Bounding_box_lower_val >> _Peak_char.Bounding_box_range_val >> _Peak_char.Details >> _Peak_char.Derivation_method_ID >> _Peak_char.Entry_ID >> _Peak_char.Spectral_peak_list_ID >> >> 1 1 8.302 . 18.2512928458 . . . . . . . . . . . 50014 5 >> 1 2 125.111 . 26.1833691136 . . . . . . . . . . . 50014 5 >> 1 3 176.014 . 28.2901125553 . . . . . . . . . . . 50014 5 >> 2 1 8.301 . 19.1161445543 . . . . . . . . . . . 50014 5 >> 2 2 125.244 . 28.0684793094 . . . . . . . . . . . 50014 5 >> 2 3 176.071 . 29.6198207923 . . . . . . . . . . . 50014 5 >> 3 1 8.142 . 19.7060552298 . . . . . . . . . . . 50014 5 >> 3 2 124.800 . 24.8857969212 . . . . . . . . . . . 50014 5 >> 3 3 175.611 . 18.2323125534 . . . . . . . . . . . 50014 5 >> 4 1 8.281 . 16.8672379325 . . . . . . . . . . . 50014 5 >> 4 2 124.670 . 24.6084121020 . . . . . . . . . . . 50014 5 >> 4 3 175.954 . 16.3172553112 . . . . . . . . . . . 50014 5 >> 5 1 8.226 . 15.8928188623 . . . . . . . . . . . 50014 5 >> 5 2 124.453 . 23.6723455534 . . . . . . . . . . . 50014 5 >> 5 3 176.155 . 17.2398156590 . . . . . . . . . . . 50014 5 >> 6 1 8.259 . 17.6217918303 . . . . . . . . . . . 50014 5 >> 6 2 123.624 . 23.9933050445 . . . . . . . . . . . 50014 5 >> 6 3 175.545 . 16.9772176343 . . . . . . . . . . . 50014 5 >> 7 1 8.135 . 17.3855645984 . . . . . . . . . . . 50014 5 >> 7 2 123.646 . 24.4766609312 . . . . . . . . . . . 50014 5 >> 7 3 177.349 . 17.8116719100 . . . . . . . . . . . 50014 5 >> 8 1 7.997 . 18.5697686438 . . . . . . . . . . . 50014 5 >> 8 2 123.576 . 24.2036071062 . . . . . . . . . . . 50014 5 >> 8 3 173.922 . 18.3404696108 . . . . . . . . . . . 50014 5 >> 9 1 8.287 . 17.8022127525 . . . . . . . . . . . 50014 5 >> 9 2 122.830 . 24.6260537554 . . . . . . . . . . . 50014 5 >> 9 3 176.268 . 18.1905441470 . . . . . . . . . . . 50014 5 >> 10 1 8.360 . 17.3646737547 . . . . . . . . . . . 50014 5 >> 10 2 122.451 . 23.9545272927 . . . . . . . . . . . 50014 5 >> 10 3 176.503 . 17.8169399973 . . . . . . . . . . . 50014 5 >> 11 1 8.094 . 19.2850243812 . . . . . . . . . . . 50014 5 >> 11 2 122.491 . 24.1548754804 . . . . . . . . . . . 50014 5 >> 11 3 175.367 . 18.6653708311 . . . . . . . . . . . 50014 5 >> 12 1 8.164 . 19.7636146171 . . . . . . . . . . . 50014 5 >> 12 2 122.309 . 27.0399529193 . . . . . . . . . . . 50014 5 >> 12 3 176.181 . 18.6011324197 . . . . . . . . . . . 50014 5 >> 13 1 8.202 . 20.3887329382 . . . . . . . . . . . 50014 5 >> 13 2 122.115 . 24.4733782706 . . . . . . . . . . . 50014 5 >> 13 3 176.254 . 18.4809340199 . . . . . . . . . . . 50014 5 >> 14 1 8.065 . 18.8897053401 . . . . . . . . . . . 50014 5 >> 14 2 122.269 . 24.1831910753 . . . . . . . . . . . 50014 5 >> 14 3 176.016 . 18.3046681196 . . . . . . . . . . . 50014 5 >> 15 1 8.017 . 18.0654666003 . . . . . . . . . . . 50014 5 >> 15 2 122.120 . 24.1393516726 . . . . . . . . . . . 50014 5 >> 15 3 175.745 . 19.8227911112 . . . . . . . . . . . 50014 5 >> 16 1 7.987 . 17.0787759856 . . . . . . . . . . . 50014 5 >> 16 2 121.418 . 24.8534044737 . . . . . . . . . . . 50014 5 >> 16 3 174.476 . 16.9661438998 . . . . . . . . . . . 50014 5 >> 17 1 7.992 . 18.6577147129 . . . . . . . . . . . 50014 5 >> 17 2 121.241 . 25.4305385608 . . . . . . . . . . . 50014 5 >> 17 3 174.224 . 17.6092805973 . . . . . . . . . . . 50014 5 >> 18 1 8.075 . 20.8014366673 . . . . . . . . . . . 50014 5 >> 18 2 121.350 . 29.2040522021 . . . . . . . . . . . 50014 5 >> 18 3 174.214 . 16.8091764010 . . . . . . . . . . . 50014 5 >> 19 1 8.046 . 17.8834386900 . . . . . . . . . . . 50014 5 >> 19 2 121.299 . 24.5208603676 . . . . . . . . . . . 50014 5 >> 19 3 176.635 . 17.6940000418 . . . . . . . . . . . 50014 5 >> 20 1 8.280 . 17.0904631708 . . . . . . . . . . . 50014 5 >> 20 2 121.065 . 24.7718038852 . . . . . . . . . . . 50014 5 >> 20 3 176.393 . 17.4993495921 . . . . . . . . . . . 50014 5 >> 21 1 8.280 . 16.7453990263 . . . . . . . . . . . 50014 5 >> 21 2 120.975 . 24.3658128959 . . . . . . . . . . . 50014 5 >> 21 3 174.563 . 17.9574044064 . . . . . . . . . . . 50014 5 >> 22 1 8.501 . 19.3078143924 . . . . . . . . . . . 50014 5 >> 22 2 120.982 . 24.1519104967 . . . . . . . . . . . 50014 5 >> 22 3 176.649 . 17.7369510801 . . . . . . . . . . . 50014 5 >> 23 1 8.087 . 20.3056078331 . . . . . . . . . . . 50014 5 >> 23 2 120.847 . 26.0019756434 . . . . . . . . . . . 50014 5 >> 23 3 173.823 . 17.8364534227 . . . . . . . . . . . 50014 5 >> 24 1 8.070 . 17.2827173682 . . . . . . . . . . . 50014 5 >> 24 2 120.847 . 24.0632574825 . . . . . . . . . . . 50014 5 >> 24 3 176.077 . 16.9362018119 . . . . . . . . . . . 50014 5 >> 25 1 7.957 . 17.4548111710 . . . . . . . . . . . 50014 5 >> 25 2 120.895 . 24.4902998565 . . . . . . . . . . . 50014 5 >> 25 3 177.667 . 18.2570940660 . . . . . . . . . . . 50014 5 >> 26 1 8.121 . 20.3716404298 . . . . . . . . . . . 50014 5 >> 26 2 120.639 . 23.8283460556 . . . . . . . . . . . 50014 5 >> 26 3 175.915 . 18.5927464849 . . . . . . . . . . . 50014 5 >> 27 1 8.095 . 17.0115746704 . . . . . . . . . . . 50014 5 >> 27 2 120.508 . 24.7435518257 . . . . . . . . . . . 50014 5 >> 27 3 175.683 . 19.3063572888 . . . . . . . . . . . 50014 5 >> 28 1 8.214 . 17.3053612896 . . . . . . . . . . . 50014 5 >> 28 2 120.382 . 23.7829818042 . . . . . . . . . . . 50014 5 >> 28 3 176.173 . 19.4282758804 . . . . . . . . . . . 50014 5 >> 29 1 8.279 . 19.1450703378 . . . . . . . . . . . 50014 5 >> 29 2 120.331 . 25.4806467862 . . . . . . . . . . . 50014 5 >> 29 3 176.841 . 17.5397203426 . . . . . . . . . . . 50014 5 >> 30 1 8.359 . 17.7345731679 . . . . . . . . . . . 50014 5 >> 30 2 120.254 . 23.9663872277 . . . . . . . . . . . 50014 5 >> 30 3 177.815 . 19.0735400841 . . . . . . . . . . . 50014 5 >> 31 1 7.957 . 18.7441998837 . . . . . . . . . . . 50014 5 >> 31 2 120.276 . 25.6050066761 . . . . . . . . . . . 50014 5 >> 31 3 177.700 . 18.5485053028 . . . . . . . . . . . 50014 5 >> 32 1 7.979 . 17.6064523996 . . . . . . . . . . . 50014 5 >> 32 2 120.232 . 24.1658459203 . . . . . . . . . . . 50014 5 >> 32 3 175.031 . 17.5472461816 . . . . . . . . . . . 50014 5 >> 33 1 7.907 . 19.0749472263 . . . . . . . . . . . 50014 5 >> 33 2 120.212 . 24.2801248655 . . . . . . . . . . . 50014 5 >> 33 3 174.423 . 18.9701673100 . . . . . . . . . . . 50014 5 >> 34 1 8.393 . 23.8273950184 . . . . . . . . . . . 50014 5 >> 34 2 119.897 . 25.1087954669 . . . . . . . . . . . 50014 5 >> 34 3 175.965 . 17.6023460742 . . . . . . . . . . . 50014 5 >> 35 1 8.207 . 18.9959126360 . . . . . . . . . . . 50014 5 >> 35 2 119.676 . 24.3624243430 . . . . . . . . . . . 50014 5 >> 35 3 177.740 . 18.9878530317 . . . . . . . . . . . 50014 5 >> 36 1 8.406 . 19.4747950517 . . . . . . . . . . . 50014 5 >> 36 2 118.696 . 23.9856172652 . . . . . . . . . . . 50014 5 >> 36 3 176.715 . 19.1811595816 . . . . . . . . . . . 50014 5 >> 37 1 8.255 . 23.0554564326 . . . . . . . . . . . 50014 5 >> 37 2 117.211 . 23.9253857381 . . . . . . . . . . . 50014 5 >> 37 3 177.216 . 19.6999049118 . . . . . . . . . . . 50014 5 >> 38 1 8.000 . 21.4302072338 . . . . . . . . . . . 50014 5 >> 38 2 115.908 . 24.4483241579 . . . . . . . . . . . 50014 5 >> 38 3 176.463 . 19.0909570258 . . . . . . . . . . . 50014 5 >> 39 1 8.219 . 22.0367721483 . . . . . . . . . . . 50014 5 >> 39 2 109.897 . 24.6113982642 . . . . . . . . . . . 50014 5 >> 39 3 176.262 . 18.8781370504 . . . . . . . . . . . 50014 5 >> 40 1 8.286 . 23.0184957093 . . . . . . . . . . . 50014 5 >> 40 2 109.698 . 24.7916692763 . . . . . . . . . . . 50014 5 >> 40 3 176.671 . 19.1390686393 . . . . . . . . . . . 50014 5 >> 41 1 8.258 . 19.0759698550 . . . . . . . . . . . 50014 5 >> 41 2 109.424 . 24.4865300914 . . . . . . . . . . . 50014 5 >> 41 3 176.567 . 19.7109248903 . . . . . . . . . . . 50014 5 >> 42 1 8.358 . 20.3909242854 . . . . . . . . . . . 50014 5 >> 42 2 109.302 . 24.1573321813 . . . . . . . . . . . 50014 5 >> 42 3 178.091 . 18.8846415256 . . . . . . . . . . . 50014 5 >> 43 1 8.168 . 21.1687064638 . . . . . . . . . . . 50014 5 >> 43 2 107.542 . 24.3426860226 . . . . . . . . . . . 50014 5 >> 43 3 178.280 . 20.2546398791 . . . . . . . . . . . 50014 5 >> 44 1 7.395 . 21.6943376205 . . . . . . . . . . . 50014 5 >> 44 2 108.117 . 23.9137799446 . . . . . . . . . . . 50014 5 >> 44 3 176.631 . 20.7799165624 . . . . . . . . . . . 50014 5 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Set_ID >> _Assigned_peak_chem_shift.Magnetization_linkage_ID >> _Assigned_peak_chem_shift.Assembly_atom_ID >> _Assigned_peak_chem_shift.Val >> _Assigned_peak_chem_shift.Contribution_fractional_val >> _Assigned_peak_chem_shift.Figure_of_merit >> _Assigned_peak_chem_shift.Assigned_chem_shift_list_ID >> _Assigned_peak_chem_shift.Atom_chem_shift_ID >> _Assigned_peak_chem_shift.Entity_assembly_ID >> _Assigned_peak_chem_shift.Entity_ID >> _Assigned_peak_chem_shift.Comp_index_ID >> _Assigned_peak_chem_shift.Comp_ID >> _Assigned_peak_chem_shift.Atom_ID >> _Assigned_peak_chem_shift.Ambiguity_code >> _Assigned_peak_chem_shift.Ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_atom_peak_num >> _Assigned_peak_chem_shift.Auth_entity_ID >> _Assigned_peak_chem_shift.Auth_seq_ID >> _Assigned_peak_chem_shift.Auth_comp_ID >> _Assigned_peak_chem_shift.Auth_atom_ID >> _Assigned_peak_chem_shift.Auth_ambiguity_code >> _Assigned_peak_chem_shift.Auth_ambiguity_set_ID >> _Assigned_peak_chem_shift.Auth_amb_atom_grp_ID >> _Assigned_peak_chem_shift.Resonance_ID >> _Assigned_peak_chem_shift.Details >> _Assigned_peak_chem_shift.Entry_ID >> _Assigned_peak_chem_shift.Spectral_peak_list_ID >> >> 1 1 1 . . 8.302 . . 1 1 1 29 LYS H . . . . . . . . . . 252 . 50014 5 >> 1 2 1 . . 125.111 . . 1 1 1 29 LYS N . . . . . . . . . . 253 . 50014 5 >> 1 3 2 . . 176.014 . . 1 1 1 28 VAL C . . . . . . . . . . 264 . 50014 5 >> 2 1 1 . . 8.301 . . 1 1 1 26 LYS H . . . . . . . . . . 254 . 50014 5 >> 2 2 1 . . 125.244 . . 1 1 1 26 LYS N . . . . . . . . . . 255 . 50014 5 >> 2 3 1 . . 176.071 . . 1 1 1 25 VAL C . . . . . . . . . . 263 . 50014 5 >> 3 1 1 . . 8.142 . . 1 1 1 32 ALA H . . . . . . . . . . 5 . 50014 5 >> 3 2 1 . . 124.800 . . 1 1 1 32 ALA N . . . . . . . . . . 6 . 50014 5 >> 3 3 1 . . 175.611 . . 1 1 1 31 TYR C . . . . . . . . . . 206 . 50014 5 >> 4 1 2 . . 8.281 . . 1 1 1 43 LYS H . . . . . . . . . . 194 . 50014 5 >> 4 2 2 . . 124.670 . . 1 1 1 43 LYS N . . . . . . . . . . 195 . 50014 5 >> 4 3 1 . . 175.954 . . 1 1 1 42 VAL C . . . . . . . . . . 207 . 50014 5 >> 5 1 1 . . 8.226 . . 1 1 1 45 ALA H . . . . . . . . . . 11 . 50014 5 >> 5 2 1 . . 124.453 . . 1 1 1 45 ALA N . . . . . . . . . . 12 . 50014 5 >> 5 3 1 . . 176.155 . . 1 1 1 44 GLU C . . . . . . . . . . 208 . 50014 5 >> 6 1 1 . . 8.259 . . 1 1 1 5 ASP H . . . . . . . . . . 15 . 50014 5 >> 6 2 1 . . 123.624 . . 1 1 1 5 ASP N . . . . . . . . . . 16 . 50014 5 >> 6 3 2 . . 175.545 . . 1 1 1 4 VAL C . . . . . . . . . . 209 . 50014 5 >> 7 1 1 . . 8.135 . . 1 1 1 35 ALA H . . . . . . . . . . 20 . 50014 5 >> 7 2 1 . . 123.646 . . 1 1 1 35 ALA N . . . . . . . . . . 21 . 50014 5 >> 7 3 1 . . 177.349 . . 1 1 1 34 LEU C . . . . . . . . . . 210 . 50014 5 >> 8 1 1 . . 7.997 . . 1 1 1 39 ALA H . . . . . . . . . . 24 . 50014 5 >> 8 2 1 . . 123.576 . . 1 1 1 39 ALA N . . . . . . . . . . 25 . 50014 5 >> 8 3 1 . . 173.922 . . 1 1 1 38 GLY C . . . . . . . . . . 211 . 50014 5 >> 9 1 1 . . 8.287 . . 1 1 1 27 GLU H . . . . . . . . . . 27 . 50014 5 >> 9 2 1 . . 122.830 . . 1 1 1 27 GLU N . . . . . . . . . . 28 . 50014 5 >> 9 3 2 . . 176.268 . . 1 1 1 26 LYS C . . . . . . . . . . 259 . 50014 5 >> 10 1 1 . . 8.360 . . 1 1 1 44 GLU H . . . . . . . . . . 31 . 50014 5 >> 10 2 1 . . 122.451 . . 1 1 1 44 GLU N . . . . . . . . . . 32 . 50014 5 >> 10 3 1 . . 176.503 . . 1 1 1 43 LYS C . . . . . . . . . . 214 . 50014 5 >> 11 1 1 . . 8.094 . . 1 1 1 34 LEU H . . . . . . . . . . 39 . 50014 5 >> 11 2 1 . . 122.491 . . 1 1 1 34 LEU N . . . . . . . . . . 40 . 50014 5 >> 11 3 1 . . 175.367 . . 1 1 1 33 ASN C . . . . . . . . . . 213 . 50014 5 >> 12 1 1 . . 8.164 . . 1 1 1 28 VAL H . . . . . . . . . . 35 . 50014 5 >> 12 2 1 . . 122.309 . . 1 1 1 28 VAL N . . . . . . . . . . 36 . 50014 5 >> 12 3 2 . . 176.181 . . 1 1 1 27 GLU C . . . . . . . . . . 216 . 50014 5 >> 13 1 1 . . 8.202 . . 1 1 1 22 ARG H . . . . . . . . . . 57 . 50014 5 >> 13 2 1 . . 122.115 . . 1 1 1 22 ARG N . . . . . . . . . . 58 . 50014 5 >> 13 3 1 . . 176.254 . . 1 1 1 21 MET C . . . . . . . . . . 215 . 50014 5 >> 14 1 1 . . 8.065 . . 1 1 1 18 ASP H . . . . . . . . . . 43 . 50014 5 >> 14 2 1 . . 122.269 . . 1 1 1 18 ASP N . . . . . . . . . . 44 . 50014 5 >> 14 3 1 . . 176.016 . . 1 1 1 17 TRP C . . . . . . . . . . 217 . 50014 5 >> 15 1 1 . . 8.017 . . 1 1 1 11 LEU H . . . . . . . . . . 47 . 50014 5 >> 15 2 1 . . 122.120 . . 1 1 1 11 LEU N . . . . . . . . . . 48 . 50014 5 >> 15 3 1 . . 175.745 . . 1 1 1 10 ASN C . . . . . . . . . . 218 . 50014 5 >> 16 1 1 . . 7.987 . . 1 1 1 37 LEU H . . . . . . . . . . 70 . 50014 5 >> 16 2 1 . . 121.418 . . 1 1 1 37 LEU N . . . . . . . . . . 71 . 50014 5 >> 16 3 1 . . 174.476 . . 1 1 1 36 GLY C . . . . . . . . . . 219 . 50014 5 >> 17 1 1 . . 7.992 . . 1 1 1 17 TRP H . . . . . . . . . . 72 . 50014 5 >> 17 2 1 . . 121.241 . . 1 1 1 17 TRP N . . . . . . . . . . 73 . 50014 5 >> 17 3 1 . . 174.224 . . 1 1 1 16 GLY C . . . . . . . . . . 220 . 50014 5 >> 18 1 1 . . 8.075 . . 1 1 1 15 PHE H . . . . . . . . . . 80 . 50014 5 >> 18 2 1 . . 121.350 . . 1 1 1 15 PHE N . . . . . . . . . . 81 . 50014 5 >> 18 3 1 . . 174.214 . . 1 1 1 14 SER C . . . . . . . . . . 221 . 50014 5 >> 19 1 1 . . 8.046 . . 1 1 1 25 VAL H . . . . . . . . . . 76 . 50014 5 >> 19 2 1 . . 121.299 . . 1 1 1 25 VAL N . . . . . . . . . . 77 . 50014 5 >> 19 3 1 . . 176.635 . . 1 1 1 24 LYS C . . . . . . . . . . 222 . 50014 5 >> 20 1 1 . . 8.280 . . 1 1 1 47 ASP H . . . . . . . . . . 85 . 50014 5 >> 20 2 1 . . 121.065 . . 1 1 1 47 ASP N . . . . . . . . . . 86 . 50014 5 >> 20 3 1 . . 176.393 . . 1 1 1 46 GLU C . . . . . . . . . . 223 . 50014 5 >> 21 1 1 . . 8.280 . . 1 1 1 9 GLU H . . . . . . . . . . 83 . 50014 5 >> 21 2 1 . . 120.975 . . 1 1 1 9 GLU N . . . . . . . . . . 84 . 50014 5 >> 21 3 1 . . 174.563 . . 1 1 1 8 GLY C . . . . . . . . . . 224 . 50014 5 >> 22 1 1 . . 8.501 . . 1 1 1 3 MET H . . . . . . . . . . 90 . 50014 5 >> 22 2 1 . . 120.982 . . 1 1 1 3 MET N . . . . . . . . . . 91 . 50014 5 >> 22 3 1 . . 176.649 . . 1 1 1 2 PRO C . . . . . . . . . . 225 . 50014 5 >> 23 1 1 . . 8.087 . . 1 1 1 24 LYS H . . . . . . . . . . 106 . 50014 5 >> 23 2 1 . . 120.847 . . 1 1 1 24 LYS N . . . . . . . . . . 107 . 50014 5 >> 23 3 1 . . 173.823 . . 1 1 1 23 GLY C . . . . . . . . . . 226 . 50014 5 >> 24 1 1 . . 8.070 . . 1 1 1 4 VAL H . . . . . . . . . . 101 . 50014 5 >> 24 2 1 . . 120.847 . . 1 1 1 4 VAL N . . . . . . . . . . 102 . 50014 5 >> 24 3 1 . . 176.077 . . 1 1 1 3 MET C . . . . . . . . . . 227 . 50014 5 >> 25 1 1 . . 7.957 . . 1 1 1 12 LEU H . . . . . . . . . . 97 . 50014 5 >> 25 2 1 . . 120.895 . . 1 1 1 12 LEU N . . . . . . . . . . 98 . 50014 5 >> 25 3 1 . . 177.667 . . 1 1 1 11 LEU C . . . . . . . . . . 228 . 50014 5 >> 26 1 1 . . 8.121 . . 1 1 1 31 TYR H . . . . . . . . . . 109 . 50014 5 >> 26 2 1 . . 120.639 . . 1 1 1 31 TYR N . . . . . . . . . . 110 . 50014 5 >> 26 3 1 . . 175.915 . . 1 1 1 30 ARG C . . . . . . . . . . 229 . 50014 5 >> 27 1 1 . . 8.095 . . 1 1 1 6 ASP H . . . . . . . . . . 113 . 50014 5 >> 27 2 1 . . 120.508 . . 1 1 1 6 ASP N . . . . . . . . . . 114 . 50014 5 >> 27 3 1 . . 175.683 . . 1 1 1 5 ASP C . . . . . . . . . . 230 . 50014 5 >> 28 1 1 . . 8.214 . . 1 1 1 7 PHE H . . . . . . . . . . 127 . 50014 5 >> 28 2 1 . . 120.382 . . 1 1 1 7 PHE N . . . . . . . . . . 128 . 50014 5 >> 28 3 1 . . 176.173 . . 1 1 1 6 ASP C . . . . . . . . . . 231 . 50014 5 >> 29 1 1 . . 8.279 . . 1 1 1 21 MET H . . . . . . . . . . 131 . 50014 5 >> 29 2 1 . . 120.331 . . 1 1 1 21 MET N . . . . . . . . . . 132 . 50014 5 >> 29 3 1 . . 176.841 . . 1 1 1 20 LYS C . . . . . . . . . . 232 . 50014 5 >> 30 1 1 . . 8.359 . . 1 1 1 46 GLU H . . . . . . . . . . 135 . 50014 5 >> 30 2 1 . . 120.254 . . 1 1 1 46 GLU N . . . . . . . . . . 136 . 50014 5 >> 30 3 1 . . 177.815 . . 1 1 1 45 ALA C . . . . . . . . . . 233 . 50014 5 >> 31 1 1 . . 7.957 . . 1 1 1 13 ARG H . . . . . . . . . . 120 . 50014 5 >> 31 2 1 . . 120.276 . . 1 1 1 13 ARG N . . . . . . . . . . 121 . 50014 5 >> 31 3 1 . . 177.700 . . 1 1 1 12 LEU C . . . . . . . . . . 234 . 50014 5 >> 32 1 1 . . 7.979 . . 1 1 1 42 VAL H . . . . . . . . . . 200 . 50014 5 >> 32 2 1 . . 120.232 . . 1 1 1 42 VAL N . . . . . . . . . . 201 . 50014 5 >> 32 3 1 . . 175.031 . . 1 1 1 41 ASN C . . . . . . . . . . 235 . 50014 5 >> 33 1 1 . . 7.907 . . 1 1 1 20 LYS H . . . . . . . . . . 117 . 50014 5 >> 33 2 1 . . 120.212 . . 1 1 1 20 LYS N . . . . . . . . . . 118 . 50014 5 >> 33 3 1 . . 174.423 . . 1 1 1 19 GLY C . . . . . . . . . . 236 . 50014 5 >> 34 1 1 . . 8.393 . . 1 1 1 41 ASN H . . . . . . . . . . 138 . 50014 5 >> 34 2 1 . . 119.897 . . 1 1 1 41 ASN N . . . . . . . . . . 139 . 50014 5 >> 34 3 1 . . 175.965 . . 1 1 1 40 ARG C . . . . . . . . . . 237 . 50014 5 >> 35 1 1 . . 8.207 . . 1 1 1 40 ARG H . . . . . . . . . . 143 . 50014 5 >> 35 2 1 . . 119.676 . . 1 1 1 40 ARG N . . . . . . . . . . 144 . 50014 5 >> 35 3 1 . . 177.740 . . 1 1 1 39 ALA C . . . . . . . . . . 248 . 50014 5 >> 36 1 1 . . 8.406 . . 1 1 1 10 ASN H . . . . . . . . . . 147 . 50014 5 >> 36 2 1 . . 118.696 . . 1 1 1 10 ASN N . . . . . . . . . . 148 . 50014 5 >> 36 3 1 . . 176.715 . . 1 1 1 9 GLU C . . . . . . . . . . 238 . 50014 5 >> 37 1 1 . . 8.255 . . 1 1 1 33 ASN H . . . . . . . . . . 151 . 50014 5 >> 37 2 1 . . 117.211 . . 1 1 1 33 ASN N . . . . . . . . . . 152 . 50014 5 >> 37 3 1 . . 177.216 . . 1 1 1 32 ALA C . . . . . . . . . . 239 . 50014 5 >> 38 1 1 . . 8.000 . . 1 1 1 14 SER H . . . . . . . . . . 155 . 50014 5 >> 38 2 1 . . 115.908 . . 1 1 1 14 SER N . . . . . . . . . . 156 . 50014 5 >> 38 3 1 . . 176.463 . . 1 1 1 13 ARG C . . . . . . . . . . 240 . 50014 5 >> 39 1 1 . . 8.219 . . 1 1 1 16 GLY H . . . . . . . . . . 173 . 50014 5 >> 39 2 1 . . 109.897 . . 1 1 1 16 GLY N . . . . . . . . . . 174 . 50014 5 >> 39 3 1 . . 176.262 . . 1 1 1 15 PHE C . . . . . . . . . . 241 . 50014 5 >> 40 1 1 . . 8.286 . . 1 1 1 23 GLY H . . . . . . . . . . 181 . 50014 5 >> 40 2 1 . . 109.698 . . 1 1 1 23 GLY N . . . . . . . . . . 182 . 50014 5 >> 40 3 2 . . 176.671 . . 1 1 1 22 ARG C . . . . . . . . . . 243 . 50014 5 >> 41 1 1 . . 8.258 . . 1 1 1 8 GLY H . . . . . . . . . . 169 . 50014 5 >> 41 2 1 . . 109.424 . . 1 1 1 8 GLY N . . . . . . . . . . 170 . 50014 5 >> 41 3 1 . . 176.567 . . 1 1 1 7 PHE C . . . . . . . . . . 244 . 50014 5 >> 42 1 1 . . 8.358 . . 1 1 1 38 GLY H . . . . . . . . . . 167 . 50014 5 >> 42 2 1 . . 109.302 . . 1 1 1 38 GLY N . . . . . . . . . . 168 . 50014 5 >> 42 3 1 . . 178.091 . . 1 1 1 37 LEU C . . . . . . . . . . 245 . 50014 5 >> 43 1 1 . . 8.168 . . 1 1 1 36 GLY H . . . . . . . . . . 163 . 50014 5 >> 43 2 1 . . 107.542 . . 1 1 1 36 GLY N . . . . . . . . . . 164 . 50014 5 >> 43 3 1 . . 178.280 . . 1 1 1 35 ALA C . . . . . . . . . . 246 . 50014 5 >> 44 1 1 . . 7.395 . . 1 1 1 19 GLY H . . . . . . . . . . 159 . 50014 5 >> 44 2 1 . . 108.117 . . 1 1 1 19 GLY N . . . . . . . . . . 160 . 50014 5 >> 44 3 1 . . 176.631 . . 1 1 1 18 ASP C . . . . . . . . . . 247 . 50014 5 >> >> stop_ >> >>save_ >> ; save_