data_25665 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Resonance Assignments of an Enzymatically Active Domain from the Catalytic Component (CDTa) of a Clostridium difficile Binary Toxin ; _BMRB_accession_number 25665 _BMRB_flat_file_name bmr25665.str _Entry_type original _Submission_date 2015-06-17 _Accession_date 2015-06-17 _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 Roth Braden M. . 2 Weber David J. . 3 Rustandi Richard R. . 4 Ruiz Raquel . . 5 Varney Kristen M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 spectral_peak_list 7 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 331 "13C chemical shifts" 734 "15N chemical shifts" 176 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-04-21 original BMRB . stop_ _Original_release_date 2016-04-21 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; (1)H, (13)C, and (15)N resonance assignments of an enzymatically active domain from the catalytic component (CDTa, residues 216-420) of a binary toxin from Clostridium difficile ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26886352 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Roth Braden M. . 2 Ruiz Raquel . . 3 Varney Kristen M. . 4 Rustandi Richard R. . 5 Weber David J. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 10 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 213 _Page_last 217 _Year 2016 _Details . loop_ _Keyword ADP-ribosyltranferase CDTa 'Clostridium difficile' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name cMSD1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label cMSD1 $cMSD1 stop_ _System_molecular_weight 22723.4955 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function cytotoxin stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_cMSD1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common cMSD1 _Molecular_mass 22723.4955 _Mol_thiol_state 'not present' loop_ _Biological_function ADP-ribosyltransferase stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 205 _Mol_residue_sequence ; SSLDFKDDVSKGDSWGKANY NDWSNKLTPNELADVNDYMR GGYTAINNYLISNGPVNNPN PELDSKITNIENALKREPIP TNLTVYRRSGPQEFGLTLTS PEYDFNKLENIDAFKSKWEG QALSYPNFISTSIGSVNMSA FAKRKIVLRITIPKGSPGAY LSAIPGYAGEYEVLLNHGSK FKINKIDSYKDGTITKLIVD ATLIP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 216 SER 2 217 SER 3 218 LEU 4 219 ASP 5 220 PHE 6 221 LYS 7 222 ASP 8 223 ASP 9 224 VAL 10 225 SER 11 226 LYS 12 227 GLY 13 228 ASP 14 229 SER 15 230 TRP 16 231 GLY 17 232 LYS 18 233 ALA 19 234 ASN 20 235 TYR 21 236 ASN 22 237 ASP 23 238 TRP 24 239 SER 25 240 ASN 26 241 LYS 27 242 LEU 28 243 THR 29 244 PRO 30 245 ASN 31 246 GLU 32 247 LEU 33 248 ALA 34 249 ASP 35 250 VAL 36 251 ASN 37 252 ASP 38 253 TYR 39 254 MET 40 255 ARG 41 256 GLY 42 257 GLY 43 258 TYR 44 259 THR 45 260 ALA 46 261 ILE 47 262 ASN 48 263 ASN 49 264 TYR 50 265 LEU 51 266 ILE 52 267 SER 53 268 ASN 54 269 GLY 55 270 PRO 56 271 VAL 57 272 ASN 58 273 ASN 59 274 PRO 60 275 ASN 61 276 PRO 62 277 GLU 63 278 LEU 64 279 ASP 65 280 SER 66 281 LYS 67 282 ILE 68 283 THR 69 284 ASN 70 285 ILE 71 286 GLU 72 287 ASN 73 288 ALA 74 289 LEU 75 290 LYS 76 291 ARG 77 292 GLU 78 293 PRO 79 294 ILE 80 295 PRO 81 296 THR 82 297 ASN 83 298 LEU 84 299 THR 85 300 VAL 86 301 TYR 87 302 ARG 88 303 ARG 89 304 SER 90 305 GLY 91 306 PRO 92 307 GLN 93 308 GLU 94 309 PHE 95 310 GLY 96 311 LEU 97 312 THR 98 313 LEU 99 314 THR 100 315 SER 101 316 PRO 102 317 GLU 103 318 TYR 104 319 ASP 105 320 PHE 106 321 ASN 107 322 LYS 108 323 LEU 109 324 GLU 110 325 ASN 111 326 ILE 112 327 ASP 113 328 ALA 114 329 PHE 115 330 LYS 116 331 SER 117 332 LYS 118 333 TRP 119 334 GLU 120 335 GLY 121 336 GLN 122 337 ALA 123 338 LEU 124 339 SER 125 340 TYR 126 341 PRO 127 342 ASN 128 343 PHE 129 344 ILE 130 345 SER 131 346 THR 132 347 SER 133 348 ILE 134 349 GLY 135 350 SER 136 351 VAL 137 352 ASN 138 353 MET 139 354 SER 140 355 ALA 141 356 PHE 142 357 ALA 143 358 LYS 144 359 ARG 145 360 LYS 146 361 ILE 147 362 VAL 148 363 LEU 149 364 ARG 150 365 ILE 151 366 THR 152 367 ILE 153 368 PRO 154 369 LYS 155 370 GLY 156 371 SER 157 372 PRO 158 373 GLY 159 374 ALA 160 375 TYR 161 376 LEU 162 377 SER 163 378 ALA 164 379 ILE 165 380 PRO 166 381 GLY 167 382 TYR 168 383 ALA 169 384 GLY 170 385 GLU 171 386 TYR 172 387 GLU 173 388 VAL 174 389 LEU 175 390 LEU 176 391 ASN 177 392 HIS 178 393 GLY 179 394 SER 180 395 LYS 181 396 PHE 182 397 LYS 183 398 ILE 184 399 ASN 185 400 LYS 186 401 ILE 187 402 ASP 188 403 SER 189 404 TYR 190 405 LYS 191 406 ASP 192 407 GLY 193 408 THR 194 409 ILE 195 410 THR 196 411 LYS 197 412 LEU 198 413 ILE 199 414 VAL 200 415 ASP 201 416 ALA 202 417 THR 203 418 LEU 204 419 ILE 205 420 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value UniProt Q9KH42 Q9KH42 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $cMSD1 'Clostridium difficile' 1496 Bacteria . Clostridium difficile B1/NAP1/027 CDTa stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $cMSD1 'recombinant technology' 'Escherichia coli' Escherichia coli BL21(DE3) pSUMO(Kan)-cMSD1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_13C15N-cMSD1 _Saveframe_category sample _Sample_type isotropic _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $cMSD1 0.4 mM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'Sodium Azide' 0.02 % 'natural abundance' Hepes 15 mM 'natural abundance' NaCl 50 mM 'natural abundance' DTT 5 mM 'natural abundance' EDTA 50 mM 'natural abundance' stop_ save_ save_15N-cMSD1 _Saveframe_category sample _Sample_type isotropic _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $cMSD1 0.4 mM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'Sodium Azide' 0.02 % 'natural abundance' Hepes 15 mM 'natural abundance' NaCl 50 mM 'natural abundance' DTT 5 mM 'natural abundance' EDTA 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.4 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'resonance assignment' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $13C15N-cMSD1 save_ save_2D_1H-15N_HSQC/HMQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC/HMQC' _Sample_label $15N-cMSD1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $13C15N-cMSD1 save_ save_CBCACONH_(H[N[co[{CA|ca[C]}]]])_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'CBCACONH (H[N[co[{CA|ca[C]}]]])' _Sample_label $13C15N-cMSD1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $13C15N-cMSD1 save_ save_HNcaCO_(HNcaCO)_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'HNcaCO (HNcaCO)' _Sample_label $13C15N-cMSD1 save_ save_HNcoCA_(H[N[co[{CA|ca[C]}]]])_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'HNcoCA (H[N[co[{CA|ca[C]}]]])' _Sample_label $13C15N-cMSD1 save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $13C15N-cMSD1 save_ save_3D_HNHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $13C15N-cMSD1 save_ ####################### # Sample conditions # ####################### save_cMSD1_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.065 . M pH 7.000 . pH pressure 1.000 . atm temperature 298.000 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio TSP C 13 'methyl protons' ppm 0.0 external indirect . . . 0.251449530 TSP H 1 'methyl protons' ppm 0.0 na indirect . . . 1.000000000 TSP N 15 'methyl protons' ppm 0.0 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_chem_shift_list _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '3D HNCACB' '2D 1H-15N HSQC/HMQC' '3D HNCO' 'CBCACONH (H[N[co[{CA|ca[C]}]]])' '3D HNCA' 'HNcaCO (HNcaCO)' 'HNcoCA (H[N[co[{CA|ca[C]}]]])' '3D C(CO)NH' '3D HNHA' stop_ loop_ _Sample_label $13C15N-cMSD1 $15N-cMSD1 stop_ _Sample_conditions_label $cMSD1_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name cMSD1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 SER C C 174.054 . 1 2 2 2 SER CA C 58.224 0.027 1 3 2 2 SER CB C 63.346 0.081 1 4 3 3 LEU H H 8.215 0.004 1 5 3 3 LEU HA H 4.220 . 1 6 3 3 LEU C C 176.365 0.02 1 7 3 3 LEU CA C 54.952 0.089 1 8 3 3 LEU CB C 41.653 0.096 1 9 3 3 LEU CG C 26.512 0.114 1 10 3 3 LEU CD1 C 24.472 0.063 1 11 3 3 LEU CD2 C 23.095 . 1 12 3 3 LEU N N 124.254 0.102 1 13 4 4 ASP H H 7.969 0.007 1 14 4 4 ASP HA H 4.443 . 1 15 4 4 ASP C C 175.249 0.014 1 16 4 4 ASP CA C 53.800 0.091 1 17 4 4 ASP CB C 40.924 0.249 1 18 4 4 ASP N N 121.047 0.177 1 19 5 5 PHE H H 7.941 0.004 1 20 5 5 PHE HA H 4.466 . 1 21 5 5 PHE C C 175.048 0.035 1 22 5 5 PHE CA C 57.394 0.082 1 23 5 5 PHE CB C 38.746 0.074 1 24 5 5 PHE N N 121.244 0.109 1 25 6 6 LYS H H 8.048 0.003 1 26 6 6 LYS HA H 4.180 . 1 27 6 6 LYS C C 175.384 0.019 1 28 6 6 LYS CA C 55.791 0.089 1 29 6 6 LYS CB C 32.537 0.061 1 30 6 6 LYS CG C 23.931 . 1 31 6 6 LYS CD C 28.519 . 1 32 6 6 LYS CE C 41.495 . 1 33 6 6 LYS N N 123.805 0.114 1 34 7 7 ASP H H 8.091 0.004 1 35 7 7 ASP HA H 4.477 . 1 36 7 7 ASP C C 175.324 0.001 1 37 7 7 ASP CA C 53.859 0.048 1 38 7 7 ASP CB C 41.092 0.342 1 39 7 7 ASP N N 122.153 0.099 1 40 8 8 ASP H H 8.170 0.004 1 41 8 8 ASP HA H 4.544 . 1 42 8 8 ASP C C 176.252 . 1 43 8 8 ASP CA C 53.894 0.021 1 44 8 8 ASP CB C 40.744 . 1 45 8 8 ASP N N 121.635 0.116 1 46 9 9 VAL C C 176.674 . 1 47 9 9 VAL CA C 64.018 0.148 1 48 9 9 VAL CB C 29.881 0.013 1 49 9 9 VAL CG1 C 21.102 . 1 50 9 9 VAL CG2 C 18.690 . 1 51 10 10 SER H H 8.336 0.004 1 52 10 10 SER HA H 4.224 . 1 53 10 10 SER C C 175.071 . 1 54 10 10 SER CA C 61.231 0.074 1 55 10 10 SER CB C 61.705 0.118 1 56 10 10 SER N N 118.491 0.079 1 57 11 11 LYS H H 7.501 0.003 1 58 11 11 LYS HA H 3.983 . 1 59 11 11 LYS C C 179.083 0.01 1 60 11 11 LYS CA C 58.633 0.05 1 61 11 11 LYS CB C 31.984 0.106 1 62 11 11 LYS CG C 25.329 0.022 1 63 11 11 LYS CD C 28.770 . 1 64 11 11 LYS CE C 41.601 . 1 65 11 11 LYS N N 124.536 0.078 1 66 12 12 GLY H H 7.698 0.004 1 67 12 12 GLY C C 174.091 0.004 1 68 12 12 GLY CA C 45.747 0.068 1 69 12 12 GLY N N 110.400 0.085 1 70 13 13 ASP H H 8.662 0.006 1 71 13 13 ASP C C 177.457 0.012 1 72 13 13 ASP CA C 56.337 0.047 1 73 13 13 ASP CB C 42.183 0.06 1 74 13 13 ASP N N 123.577 0.073 1 75 14 14 SER H H 7.739 0.004 1 76 14 14 SER HA H 3.982 . 1 77 14 14 SER CA C 61.661 0.06 1 78 14 14 SER CB C 61.915 0.066 1 79 14 14 SER N N 114.626 0.089 1 80 15 15 TRP H H 7.792 0.003 1 81 15 15 TRP HA H 3.998 . 1 82 15 15 TRP HE1 H 10.275 . 1 83 15 15 TRP C C 178.915 0.013 1 84 15 15 TRP CA C 61.713 0.053 1 85 15 15 TRP CB C 28.967 0.06 1 86 15 15 TRP N N 125.282 0.079 1 87 15 15 TRP NE1 N 132.281 . 1 88 16 16 GLY H H 8.957 0.004 1 89 16 16 GLY C C 175.934 . 1 90 16 16 GLY CA C 47.021 0.178 1 91 16 16 GLY N N 111.951 0.088 1 92 17 17 LYS H H 8.547 0.007 1 93 17 17 LYS C C 177.466 0.009 1 94 17 17 LYS CA C 59.988 0.029 1 95 17 17 LYS CB C 31.892 0.077 1 96 17 17 LYS CG C 28.644 0.067 1 97 17 17 LYS CE C 45.396 0.008 1 98 17 17 LYS N N 122.736 0.139 1 99 18 18 ALA H H 7.819 0.005 1 100 18 18 ALA HA H 4.172 . 1 101 18 18 ALA C C 179.414 0.024 1 102 18 18 ALA CA C 54.279 0.045 1 103 18 18 ALA CB C 17.271 0.016 1 104 18 18 ALA N N 121.368 0.121 1 105 19 19 ASN H H 7.178 0.005 1 106 19 19 ASN HA H 4.212 . 1 107 19 19 ASN C C 174.809 . 1 108 19 19 ASN CA C 54.990 0.084 1 109 19 19 ASN CB C 40.127 0.06 1 110 19 19 ASN N N 113.260 0.087 1 111 20 20 TYR H H 8.036 0.005 1 112 20 20 TYR HA H 4.597 . 1 113 20 20 TYR C C 175.378 0.026 1 114 20 20 TYR CA C 59.431 0.093 1 115 20 20 TYR CB C 38.069 0.075 1 116 20 20 TYR N N 115.843 0.101 1 117 21 21 ASN H H 8.120 0.004 1 118 21 21 ASN HA H 4.369 . 1 119 21 21 ASN C C 175.916 0.0 1 120 21 21 ASN CA C 56.520 0.046 1 121 21 21 ASN CB C 38.169 0.065 1 122 21 21 ASN N N 123.558 0.097 1 123 22 22 ASP H H 8.419 0.006 1 124 22 22 ASP HA H 4.779 . 1 125 22 22 ASP C C 176.056 0.006 1 126 22 22 ASP CA C 53.167 0.124 1 127 22 22 ASP CB C 40.464 0.019 1 128 22 22 ASP N N 118.204 0.082 1 129 23 23 TRP H H 7.673 0.003 1 130 23 23 TRP HE1 H 10.393 . 1 131 23 23 TRP C C 177.487 0.008 1 132 23 23 TRP CA C 61.741 0.073 1 133 23 23 TRP CB C 29.079 0.032 1 134 23 23 TRP N N 123.600 0.077 1 135 23 23 TRP NE1 N 132.146 . 1 136 24 24 SER H H 8.908 0.003 1 137 24 24 SER HA H 3.366 . 1 138 24 24 SER C C 175.221 . 1 139 24 24 SER CA C 61.591 0.121 1 140 24 24 SER N N 112.144 0.103 1 141 25 25 ASN H H 7.383 0.003 1 142 25 25 ASN HA H 4.548 . 1 143 25 25 ASN C C 175.614 0.014 1 144 25 25 ASN CA C 53.903 0.064 1 145 25 25 ASN CB C 38.154 0.051 1 146 25 25 ASN N N 118.089 0.263 1 147 26 26 LYS H H 7.800 0.003 1 148 26 26 LYS HA H 4.177 . 1 149 26 26 LYS C C 175.611 0.014 1 150 26 26 LYS CA C 55.829 0.061 1 151 26 26 LYS CB C 32.429 0.05 1 152 26 26 LYS CG C 25.309 . 1 153 26 26 LYS CD C 29.075 0.002 1 154 26 26 LYS CE C 41.738 0.083 1 155 26 26 LYS N N 119.793 0.101 1 156 27 27 LEU H H 6.688 0.003 1 157 27 27 LEU HA H 4.236 . 1 158 27 27 LEU C C 177.538 0.007 1 159 27 27 LEU CA C 53.165 0.049 1 160 27 27 LEU CB C 41.472 0.047 1 161 27 27 LEU CG C 25.291 0.037 1 162 27 27 LEU CD1 C 23.165 0.03 1 163 27 27 LEU CD2 C 21.590 0.116 1 164 27 27 LEU N N 119.908 0.065 1 165 28 28 THR H H 8.805 0.003 1 166 28 28 THR HA H 4.479 . 1 167 28 28 THR C C 172.950 . 1 168 28 28 THR CA C 60.090 0.003 1 169 28 28 THR CB C 66.998 . 1 170 28 28 THR N N 115.929 0.085 1 171 29 29 PRO C C 179.205 . 1 172 29 29 PRO CA C 65.621 0.163 1 173 29 29 PRO CB C 31.002 0.175 1 174 29 29 PRO CG C 27.410 0.005 1 175 29 29 PRO CD C 49.108 0.044 1 176 30 30 ASN H H 8.295 0.005 1 177 30 30 ASN HA H 4.348 . 1 178 30 30 ASN C C 177.274 0.005 1 179 30 30 ASN CA C 55.250 0.064 1 180 30 30 ASN CB C 37.240 0.076 1 181 30 30 ASN N N 115.690 0.105 1 182 31 31 GLU H H 7.441 0.002 1 183 31 31 GLU HA H 3.550 . 1 184 31 31 GLU C C 177.271 0.003 1 185 31 31 GLU CA C 59.363 0.09 1 186 31 31 GLU CB C 30.034 0.107 1 187 31 31 GLU CG C 35.644 0.032 1 188 31 31 GLU N N 121.142 0.087 1 189 32 32 LEU H H 8.504 0.006 1 190 32 32 LEU HA H 3.667 . 1 191 32 32 LEU C C 178.032 0.007 1 192 32 32 LEU CA C 57.094 0.089 1 193 32 32 LEU CB C 41.021 0.134 1 194 32 32 LEU CG C 25.168 0.017 1 195 32 32 LEU N N 119.691 0.162 1 196 33 33 ALA H H 7.907 0.003 1 197 33 33 ALA HA H 4.033 . 1 198 33 33 ALA C C 180.201 0.006 1 199 33 33 ALA CA C 54.730 0.039 1 200 33 33 ALA CB C 17.458 0.038 1 201 33 33 ALA N N 120.737 0.108 1 202 34 34 ASP H H 7.627 0.003 1 203 34 34 ASP HA H 4.621 . 1 204 34 34 ASP C C 178.752 0.008 1 205 34 34 ASP CA C 57.270 0.088 1 206 34 34 ASP CB C 39.304 0.072 1 207 34 34 ASP N N 121.224 0.102 1 208 35 35 VAL H H 8.613 0.002 1 209 35 35 VAL HA H 3.423 . 1 210 35 35 VAL C C 177.173 0.046 1 211 35 35 VAL CA C 66.923 0.046 1 212 35 35 VAL CB C 31.259 0.088 1 213 35 35 VAL CG1 C 23.501 0.03 1 214 35 35 VAL CG2 C 20.907 0.049 1 215 35 35 VAL N N 124.433 0.069 1 216 36 36 ASN H H 8.619 0.003 1 217 36 36 ASN HA H 4.433 . 1 218 36 36 ASN C C 177.167 0.002 1 219 36 36 ASN CA C 56.136 0.034 1 220 36 36 ASN CB C 37.695 0.081 1 221 36 36 ASN N N 120.315 0.088 1 222 37 37 ASP H H 8.162 0.003 1 223 37 37 ASP HA H 4.277 . 1 224 37 37 ASP C C 178.535 0.004 1 225 37 37 ASP CA C 56.929 0.178 1 226 37 37 ASP CB C 40.969 0.072 1 227 37 37 ASP N N 120.097 0.088 1 228 38 38 TYR H H 8.152 0.002 1 229 38 38 TYR HA H 3.483 . 1 230 38 38 TYR C C 177.460 0.003 1 231 38 38 TYR CA C 62.296 0.076 1 232 38 38 TYR CB C 37.700 0.108 1 233 38 38 TYR N N 121.655 0.112 1 234 39 39 MET H H 8.551 0.002 1 235 39 39 MET HA H 4.104 . 1 236 39 39 MET C C 177.054 0.011 1 237 39 39 MET CA C 58.744 0.068 1 238 39 39 MET CB C 33.553 0.075 1 239 39 39 MET N N 117.374 0.111 1 240 40 40 ARG H H 7.915 0.004 1 241 40 40 ARG HA H 4.507 . 1 242 40 40 ARG C C 175.508 0.014 1 243 40 40 ARG CA C 55.914 0.051 1 244 40 40 ARG CB C 29.385 0.039 1 245 40 40 ARG CG C 27.227 0.021 1 246 40 40 ARG CD C 43.280 0.02 1 247 40 40 ARG N N 118.684 0.082 1 248 41 41 GLY H H 7.284 0.002 1 249 41 41 GLY HA2 H 4.515 . 1 250 41 41 GLY HA3 H 3.169 . 1 251 41 41 GLY C C 174.654 0.01 1 252 41 41 GLY CA C 44.917 0.106 1 253 41 41 GLY N N 105.656 0.09 1 254 42 42 GLY H H 8.762 0.004 1 255 42 42 GLY HA2 H 3.946 . 1 256 42 42 GLY HA3 H 3.726 . 1 257 42 42 GLY C C 173.061 0.014 1 258 42 42 GLY CA C 45.822 0.071 1 259 42 42 GLY N N 114.284 0.114 1 260 43 43 TYR H H 7.567 0.003 1 261 43 43 TYR HA H 3.739 . 1 262 43 43 TYR C C 175.791 0.007 1 263 43 43 TYR CA C 59.020 0.033 1 264 43 43 TYR CB C 34.822 0.057 1 265 43 43 TYR N N 118.264 0.086 1 266 44 44 THR H H 6.295 0.003 1 267 44 44 THR HA H 3.885 . 1 268 44 44 THR C C 174.938 0.018 1 269 44 44 THR CA C 66.060 0.104 1 270 44 44 THR CB C 67.374 0.039 1 271 44 44 THR CG2 C 21.431 0.049 1 272 44 44 THR N N 121.062 0.105 1 273 45 45 ALA H H 8.036 0.004 1 274 45 45 ALA HA H 4.124 . 1 275 45 45 ALA C C 181.112 0.001 1 276 45 45 ALA CA C 54.609 0.048 1 277 45 45 ALA CB C 17.966 0.034 1 278 45 45 ALA N N 124.290 0.082 1 279 46 46 ILE H H 7.799 0.004 1 280 46 46 ILE HA H 3.635 . 1 281 46 46 ILE C C 176.394 0.0 1 282 46 46 ILE CA C 65.415 0.032 1 283 46 46 ILE CB C 38.936 0.021 1 284 46 46 ILE CG1 C 30.436 . 1 285 46 46 ILE CG2 C 16.634 . 1 286 46 46 ILE CD1 C 14.107 . 1 287 46 46 ILE N N 118.429 0.094 1 288 47 47 ASN H H 8.973 0.004 1 289 47 47 ASN HA H 4.853 . 1 290 47 47 ASN C C 178.050 0.016 1 291 47 47 ASN CA C 55.963 0.045 1 292 47 47 ASN CB C 37.108 0.048 1 293 47 47 ASN N N 118.274 0.072 1 294 48 48 ASN H H 8.585 0.003 1 295 48 48 ASN HA H 4.590 . 1 296 48 48 ASN C C 177.953 0.001 1 297 48 48 ASN CA C 55.887 0.053 1 298 48 48 ASN CB C 37.035 0.034 1 299 48 48 ASN N N 120.915 0.105 1 300 49 49 TYR H H 7.660 0.003 1 301 49 49 TYR HA H 4.369 . 1 302 49 49 TYR C C 176.737 0.012 1 303 49 49 TYR CA C 60.083 0.044 1 304 49 49 TYR CB C 38.676 0.184 1 305 49 49 TYR N N 124.666 0.117 1 306 50 50 LEU H H 7.979 0.004 1 307 50 50 LEU HA H 3.788 . 1 308 50 50 LEU C C 180.662 0.009 1 309 50 50 LEU CA C 57.923 0.047 1 310 50 50 LEU CB C 41.545 0.053 1 311 50 50 LEU CG C 26.465 . 1 312 50 50 LEU CD1 C 22.838 . 1 313 50 50 LEU N N 120.712 0.123 1 314 51 51 ILE H H 9.012 0.004 1 315 51 51 ILE HA H 3.598 . 1 316 51 51 ILE C C 176.622 0.003 1 317 51 51 ILE CA C 65.175 0.104 1 318 51 51 ILE CB C 38.142 0.087 1 319 51 51 ILE CG1 C 30.547 0.06 1 320 51 51 ILE CG2 C 16.944 0.025 1 321 51 51 ILE CD1 C 13.437 0.025 1 322 51 51 ILE N N 122.209 0.085 1 323 52 52 SER H H 7.661 0.003 1 324 52 52 SER HA H 4.380 . 1 325 52 52 SER C C 173.599 0.006 1 326 52 52 SER CA C 58.155 0.084 1 327 52 52 SER CB C 63.400 0.158 1 328 52 52 SER N N 113.966 0.083 1 329 53 53 ASN H H 7.848 0.003 1 330 53 53 ASN HA H 4.378 . 1 331 53 53 ASN C C 174.818 0.004 1 332 53 53 ASN CA C 52.625 0.081 1 333 53 53 ASN CB C 36.715 0.121 1 334 53 53 ASN N N 119.216 0.101 1 335 54 54 GLY H H 8.417 0.004 1 336 54 54 GLY HA2 H 3.321 . 1 337 54 54 GLY C C 171.871 . 1 338 54 54 GLY CA C 47.977 0.027 1 339 54 54 GLY N N 109.595 0.085 1 340 55 55 PRO C C 176.512 . 1 341 55 55 PRO CA C 65.257 0.083 1 342 55 55 PRO CB C 31.220 0.083 1 343 55 55 PRO CG C 27.450 0.058 1 344 55 55 PRO CD C 49.367 . 1 345 56 56 VAL H H 6.679 0.003 1 346 56 56 VAL HA H 3.893 . 1 347 56 56 VAL C C 176.471 0.007 1 348 56 56 VAL CA C 62.966 0.048 1 349 56 56 VAL CB C 32.928 0.019 1 350 56 56 VAL CG1 C 20.525 0.043 1 351 56 56 VAL N N 112.078 0.093 1 352 57 57 ASN H H 8.005 0.003 1 353 57 57 ASN HA H 4.551 . 1 354 57 57 ASN C C 175.894 0.009 1 355 57 57 ASN CA C 54.513 0.065 1 356 57 57 ASN CB C 39.433 0.032 1 357 57 57 ASN N N 116.811 0.09 1 358 58 58 ASN H H 9.170 0.002 1 359 58 58 ASN HA H 4.871 . 1 360 58 58 ASN C C 170.056 . 1 361 58 58 ASN CA C 51.742 0.002 1 362 58 58 ASN CB C 37.965 . 1 363 58 58 ASN N N 118.023 0.093 1 364 59 59 PRO C C 176.618 . 1 365 59 59 PRO CA C 63.495 0.065 1 366 59 59 PRO CB C 31.816 0.075 1 367 59 59 PRO CG C 27.185 0.005 1 368 59 59 PRO CD C 49.652 0.037 1 369 60 60 ASN H H 8.727 0.012 1 370 60 60 ASN HA H 5.082 0.005 1 371 60 60 ASN C C 172.025 . 1 372 60 60 ASN CA C 48.916 0.015 1 373 60 60 ASN CB C 39.686 . 1 374 60 60 ASN N N 121.499 0.088 1 375 61 61 PRO C C 178.463 . 1 376 61 61 PRO CA C 64.457 0.077 1 377 61 61 PRO CB C 31.829 0.112 1 378 61 61 PRO CG C 26.619 0.016 1 379 61 61 PRO CD C 50.295 0.036 1 380 62 62 GLU H H 7.738 0.003 1 381 62 62 GLU HA H 4.018 . 1 382 62 62 GLU C C 179.058 0.01 1 383 62 62 GLU CA C 59.035 0.026 1 384 62 62 GLU CB C 28.882 0.038 1 385 62 62 GLU CG C 36.305 0.133 1 386 62 62 GLU N N 119.131 0.085 1 387 63 63 LEU H H 7.241 0.002 1 388 63 63 LEU HA H 3.917 . 1 389 63 63 LEU C C 178.424 0.003 1 390 63 63 LEU CA C 56.884 0.034 1 391 63 63 LEU CB C 41.016 0.031 1 392 63 63 LEU CG C 25.340 0.043 1 393 63 63 LEU CD1 C 22.246 0.027 1 394 63 63 LEU N N 119.984 0.08 1 395 64 64 ASP H H 8.688 0.003 1 396 64 64 ASP HA H 4.423 . 1 397 64 64 ASP C C 178.556 0.01 1 398 64 64 ASP CA C 57.878 0.039 1 399 64 64 ASP CB C 39.313 0.06 1 400 64 64 ASP N N 121.148 0.09 1 401 65 65 SER H H 7.722 0.004 1 402 65 65 SER HA H 4.138 . 1 403 65 65 SER C C 175.919 0.013 1 404 65 65 SER CA C 60.868 0.118 1 405 65 65 SER CB C 62.191 0.084 1 406 65 65 SER N N 115.002 0.081 1 407 66 66 LYS H H 7.144 0.003 1 408 66 66 LYS HA H 4.532 . 1 409 66 66 LYS C C 178.275 0.009 1 410 66 66 LYS CA C 58.907 0.06 1 411 66 66 LYS CB C 32.596 0.115 1 412 66 66 LYS CG C 25.054 0.0 1 413 66 66 LYS CD C 29.793 . 1 414 66 66 LYS CE C 41.768 . 1 415 66 66 LYS N N 122.228 0.096 1 416 67 67 ILE H H 8.479 0.003 1 417 67 67 ILE HA H 3.572 . 1 418 67 67 ILE C C 177.080 0.014 1 419 67 67 ILE CA C 66.080 0.084 1 420 67 67 ILE CB C 37.572 0.076 1 421 67 67 ILE CG1 C 32.165 0.03 1 422 67 67 ILE CG2 C 16.352 0.029 1 423 67 67 ILE CD1 C 13.879 0.03 1 424 67 67 ILE N N 120.320 0.139 1 425 68 68 THR H H 8.169 0.004 1 426 68 68 THR HA H 3.993 . 1 427 68 68 THR C C 175.311 0.014 1 428 68 68 THR CA C 66.445 0.06 1 429 68 68 THR CB C 68.782 0.191 1 430 68 68 THR CG2 C 21.671 0.004 1 431 68 68 THR N N 117.778 0.084 1 432 69 69 ASN H H 7.876 0.004 1 433 69 69 ASN HA H 4.651 . 1 434 69 69 ASN C C 177.193 0.006 1 435 69 69 ASN CA C 55.519 0.044 1 436 69 69 ASN CB C 37.135 0.046 1 437 69 69 ASN N N 120.365 0.092 1 438 70 70 ILE H H 8.761 0.002 1 439 70 70 ILE HA H 3.382 . 1 440 70 70 ILE C C 177.071 0.035 1 441 70 70 ILE CA C 65.484 0.076 1 442 70 70 ILE CB C 37.258 0.097 1 443 70 70 ILE CG1 C 28.713 . 1 444 70 70 ILE CG2 C 16.712 0.047 1 445 70 70 ILE CD1 C 13.887 0.057 1 446 70 70 ILE N N 122.948 0.113 1 447 71 71 GLU H H 8.869 0.003 1 448 71 71 GLU HA H 4.046 . 1 449 71 71 GLU C C 178.028 0.01 1 450 71 71 GLU CA C 59.911 0.043 1 451 71 71 GLU CB C 29.862 0.029 1 452 71 71 GLU CG C 36.162 . 1 453 71 71 GLU N N 121.390 0.097 1 454 72 72 ASN H H 8.521 0.003 1 455 72 72 ASN HA H 4.827 . 1 456 72 72 ASN C C 178.775 0.001 1 457 72 72 ASN CA C 55.356 0.065 1 458 72 72 ASN CB C 36.776 0.072 1 459 72 72 ASN N N 118.029 0.11 1 460 73 73 ALA H H 8.465 0.002 1 461 73 73 ALA HA H 3.908 . 1 462 73 73 ALA C C 180.031 0.005 1 463 73 73 ALA CA C 54.742 0.047 1 464 73 73 ALA CB C 18.224 0.065 1 465 73 73 ALA N N 125.453 0.093 1 466 74 74 LEU H H 8.441 0.002 1 467 74 74 LEU HA H 4.049 . 1 468 74 74 LEU C C 177.461 0.006 1 469 74 74 LEU CA C 57.000 0.064 1 470 74 74 LEU CB C 40.579 0.057 1 471 74 74 LEU CG C 24.707 0.048 1 472 74 74 LEU CD1 C 21.397 0.005 1 473 74 74 LEU N N 118.697 0.085 1 474 75 75 LYS H H 7.717 0.004 1 475 75 75 LYS HA H 4.142 . 1 476 75 75 LYS C C 176.620 0.015 1 477 75 75 LYS CA C 56.784 0.05 1 478 75 75 LYS CB C 33.379 0.051 1 479 75 75 LYS CG C 26.395 0.034 1 480 75 75 LYS CD C 29.627 0.009 1 481 75 75 LYS CE C 41.932 0.025 1 482 75 75 LYS N N 117.630 0.129 1 483 76 76 ARG H H 7.522 0.003 1 484 76 76 ARG HA H 4.019 . 1 485 76 76 ARG C C 175.848 0.008 1 486 76 76 ARG CA C 57.753 0.038 1 487 76 76 ARG CB C 29.188 0.077 1 488 76 76 ARG CG C 24.930 0.016 1 489 76 76 ARG CD C 40.434 0.006 1 490 76 76 ARG N N 121.710 0.092 1 491 77 77 GLU H H 9.169 0.003 1 492 77 77 GLU HA H 4.913 . 1 493 77 77 GLU C C 170.367 . 1 494 77 77 GLU CA C 52.241 0.083 1 495 77 77 GLU CB C 31.007 . 1 496 77 77 GLU N N 121.461 0.1 1 497 78 78 PRO C C 174.735 . 1 498 78 78 PRO CA C 62.107 0.084 1 499 78 78 PRO CB C 32.072 0.081 1 500 78 78 PRO CG C 26.821 0.029 1 501 78 78 PRO CD C 49.707 0.013 1 502 79 79 ILE H H 8.528 0.003 1 503 79 79 ILE HA H 4.461 . 1 504 79 79 ILE C C 178.938 . 1 505 79 79 ILE CA C 56.758 . 1 506 79 79 ILE CB C 35.781 . 1 507 79 79 ILE N N 123.094 0.093 1 508 80 80 PRO C C 175.233 . 1 509 80 80 PRO CA C 64.774 0.065 1 510 80 80 PRO CB C 31.808 0.049 1 511 80 80 PRO CG C 26.968 0.015 1 512 80 80 PRO CD C 51.562 0.009 1 513 81 81 THR H H 7.514 0.003 1 514 81 81 THR HA H 4.363 . 1 515 81 81 THR C C 170.271 0.004 1 516 81 81 THR CA C 59.205 0.023 1 517 81 81 THR CB C 69.833 0.247 1 518 81 81 THR CG2 C 19.151 0.052 1 519 81 81 THR N N 115.546 0.093 1 520 82 82 ASN H H 7.982 0.003 1 521 82 82 ASN HA H 5.161 . 1 522 82 82 ASN C C 174.306 0.011 1 523 82 82 ASN CA C 53.311 0.074 1 524 82 82 ASN CB C 37.235 0.051 1 525 82 82 ASN N N 121.811 0.109 1 526 83 83 LEU H H 8.735 0.004 1 527 83 83 LEU HA H 4.682 . 1 528 83 83 LEU C C 173.452 . 1 529 83 83 LEU CA C 53.823 0.104 1 530 83 83 LEU CB C 47.512 0.065 1 531 83 83 LEU CG C 26.407 0.017 1 532 83 83 LEU CD1 C 22.164 0.22 1 533 83 83 LEU N N 131.452 0.091 1 534 84 84 THR H H 8.411 0.005 1 535 84 84 THR HA H 5.187 . 1 536 84 84 THR C C 172.338 0.002 1 537 84 84 THR CA C 61.712 0.06 1 538 84 84 THR CB C 69.554 0.248 1 539 84 84 THR CG2 C 21.547 0.009 1 540 84 84 THR N N 125.496 0.079 1 541 85 85 VAL H H 8.989 0.004 1 542 85 85 VAL HA H 4.786 . 1 543 85 85 VAL C C 173.361 0.006 1 544 85 85 VAL CA C 58.625 0.064 1 545 85 85 VAL CB C 35.613 0.046 1 546 85 85 VAL CG1 C 21.760 0.03 1 547 85 85 VAL CG2 C 18.334 0.062 1 548 85 85 VAL N N 118.857 0.1 1 549 86 86 TYR H H 9.074 0.004 1 550 86 86 TYR HA H 5.402 . 1 551 86 86 TYR C C 175.992 0.013 1 552 86 86 TYR CA C 56.679 0.084 1 553 86 86 TYR CB C 42.451 0.036 1 554 86 86 TYR N N 116.504 0.108 1 555 87 87 ARG H H 9.006 0.004 1 556 87 87 ARG C C 173.807 0.002 1 557 87 87 ARG CA C 54.766 0.066 1 558 87 87 ARG CB C 33.939 0.096 1 559 87 87 ARG CG C 27.402 0.027 1 560 87 87 ARG CD C 42.550 0.061 1 561 87 87 ARG N N 120.486 0.112 1 562 88 88 ARG H H 8.845 0.005 1 563 88 88 ARG C C 174.983 . 1 564 88 88 ARG CA C 55.391 0.001 1 565 88 88 ARG CB C 29.897 . 1 566 88 88 ARG N N 127.439 0.082 1 567 91 91 PRO C C 178.075 . 1 568 91 91 PRO CA C 64.538 0.066 1 569 91 91 PRO CB C 29.413 0.068 1 570 91 91 PRO CG C 26.193 0.06 1 571 92 92 GLN H H 8.884 0.003 1 572 92 92 GLN HA H 4.386 . 1 573 92 92 GLN C C 178.534 0.006 1 574 92 92 GLN CA C 58.528 0.027 1 575 92 92 GLN CB C 26.793 0.097 1 576 92 92 GLN CG C 33.493 0.012 1 577 92 92 GLN N N 119.952 0.138 1 578 93 93 GLU H H 7.602 0.003 1 579 93 93 GLU C C 174.747 0.007 1 580 93 93 GLU CA C 57.998 0.04 1 581 93 93 GLU CB C 28.392 0.086 1 582 93 93 GLU CG C 37.551 0.003 1 583 93 93 GLU N N 120.941 0.112 1 584 94 94 PHE H H 7.429 0.003 1 585 94 94 PHE HA H 4.116 . 1 586 94 94 PHE C C 174.788 0.007 1 587 94 94 PHE CA C 56.734 0.061 1 588 94 94 PHE CB C 39.749 0.097 1 589 94 94 PHE N N 116.214 0.082 1 590 95 95 GLY H H 7.544 0.003 1 591 95 95 GLY HA2 H 4.131 . 1 592 95 95 GLY HA3 H 3.892 . 1 593 95 95 GLY C C 173.370 0.007 1 594 95 95 GLY CA C 46.225 0.056 1 595 95 95 GLY N N 107.232 0.118 1 596 96 96 LEU H H 7.676 0.004 1 597 96 96 LEU HA H 4.788 . 1 598 96 96 LEU C C 174.693 0.008 1 599 96 96 LEU CA C 52.456 0.169 1 600 96 96 LEU CB C 45.445 0.107 1 601 96 96 LEU CG C 25.680 0.038 1 602 96 96 LEU CD1 C 26.728 . 1 603 96 96 LEU CD2 C 23.097 0.064 1 604 96 96 LEU N N 120.303 0.086 1 605 97 97 THR H H 8.049 0.007 1 606 97 97 THR HA H 4.540 . 1 607 97 97 THR C C 174.511 0.001 1 608 97 97 THR CA C 59.125 0.08 1 609 97 97 THR CB C 71.489 0.104 1 610 97 97 THR CG2 C 20.902 0.007 1 611 97 97 THR N N 110.239 0.086 1 612 98 98 LEU H H 8.460 0.003 1 613 98 98 LEU C C 177.907 0.001 1 614 98 98 LEU CA C 57.082 0.06 1 615 98 98 LEU CB C 42.045 0.112 1 616 98 98 LEU CG C 26.669 . 1 617 98 98 LEU CD1 C 24.915 0.002 1 618 98 98 LEU CD2 C 23.592 0.07 1 619 98 98 LEU N N 118.844 0.068 1 620 99 99 THR H H 7.565 0.003 1 621 99 99 THR HA H 4.406 . 1 622 99 99 THR C C 174.437 0.011 1 623 99 99 THR CA C 60.002 0.032 1 624 99 99 THR CB C 68.141 0.084 1 625 99 99 THR CG2 C 21.026 0.024 1 626 99 99 THR N N 105.352 0.095 1 627 100 100 SER H H 7.548 0.003 1 628 100 100 SER HA H 4.539 . 1 629 100 100 SER C C 174.098 . 1 630 100 100 SER CA C 57.825 . 1 631 100 100 SER CB C 62.382 . 1 632 100 100 SER N N 123.505 0.082 1 633 101 101 PRO C C 178.109 . 1 634 101 101 PRO CA C 64.938 0.081 1 635 101 101 PRO CB C 31.342 0.023 1 636 101 101 PRO CG C 27.388 0.003 1 637 101 101 PRO CD C 50.926 . 1 638 102 102 GLU H H 9.319 0.003 1 639 102 102 GLU HA H 3.881 . 1 640 102 102 GLU C C 175.128 0.009 1 641 102 102 GLU CA C 58.132 0.067 1 642 102 102 GLU CB C 28.664 0.081 1 643 102 102 GLU CG C 36.873 0.015 1 644 102 102 GLU N N 115.563 0.093 1 645 103 103 TYR H H 7.380 0.003 1 646 103 103 TYR HA H 3.986 . 1 647 103 103 TYR C C 172.966 0.009 1 648 103 103 TYR CA C 53.611 0.052 1 649 103 103 TYR CB C 39.808 0.108 1 650 103 103 TYR N N 117.422 0.111 1 651 104 104 ASP H H 6.888 0.003 1 652 104 104 ASP HA H 4.223 . 1 653 104 104 ASP C C 176.423 0.01 1 654 104 104 ASP CA C 51.809 0.057 1 655 104 104 ASP CB C 38.622 0.055 1 656 104 104 ASP N N 115.971 0.088 1 657 105 105 PHE H H 7.091 0.004 1 658 105 105 PHE HA H 4.442 . 1 659 105 105 PHE C C 172.851 0.013 1 660 105 105 PHE CA C 56.664 0.067 1 661 105 105 PHE CB C 35.685 0.078 1 662 105 105 PHE N N 126.771 0.091 1 663 106 106 ASN H H 8.093 0.003 1 664 106 106 ASN HA H 4.359 . 1 665 106 106 ASN C C 175.415 0.012 1 666 106 106 ASN CA C 54.246 0.071 1 667 106 106 ASN CB C 36.315 0.09 1 668 106 106 ASN N N 118.366 0.089 1 669 107 107 LYS H H 7.011 0.002 1 670 107 107 LYS HA H 4.502 . 1 671 107 107 LYS C C 176.225 0.002 1 672 107 107 LYS CA C 54.578 0.041 1 673 107 107 LYS CB C 31.832 0.042 1 674 107 107 LYS CG C 24.255 0.009 1 675 107 107 LYS CD C 28.934 0.03 1 676 107 107 LYS CE C 41.727 0.006 1 677 107 107 LYS N N 120.308 0.096 1 678 108 108 LEU H H 8.706 0.003 1 679 108 108 LEU C C 178.648 0.007 1 680 108 108 LEU CA C 58.279 0.075 1 681 108 108 LEU CB C 41.141 0.053 1 682 108 108 LEU CG C 26.693 0.012 1 683 108 108 LEU CD1 C 23.904 0.099 1 684 108 108 LEU N N 130.118 0.093 1 685 109 109 GLU H H 9.954 0.002 1 686 109 109 GLU HA H 4.205 . 1 687 109 109 GLU C C 178.967 0.01 1 688 109 109 GLU CA C 58.946 0.071 1 689 109 109 GLU CB C 27.750 0.101 1 690 109 109 GLU CG C 35.532 0.004 1 691 109 109 GLU N N 118.598 0.094 1 692 110 110 ASN H H 7.806 0.003 1 693 110 110 ASN HA H 4.898 . 1 694 110 110 ASN C C 179.103 0.023 1 695 110 110 ASN CA C 54.371 0.037 1 696 110 110 ASN CB C 36.835 0.03 1 697 110 110 ASN N N 118.879 0.081 1 698 111 111 ILE H H 7.683 0.002 1 699 111 111 ILE HA H 3.658 . 1 700 111 111 ILE C C 177.117 0.009 1 701 111 111 ILE CA C 65.677 0.145 1 702 111 111 ILE CB C 36.919 0.083 1 703 111 111 ILE CG1 C 28.301 0.039 1 704 111 111 ILE CG2 C 16.351 0.056 1 705 111 111 ILE CD1 C 13.223 0.091 1 706 111 111 ILE N N 125.654 0.124 1 707 112 112 ASP H H 7.953 0.005 1 708 112 112 ASP HA H 4.301 . 1 709 112 112 ASP C C 178.804 0.008 1 710 112 112 ASP CA C 57.506 0.072 1 711 112 112 ASP CB C 39.746 0.055 1 712 112 112 ASP N N 121.133 0.104 1 713 113 113 ALA H H 7.969 0.003 1 714 113 113 ALA HA H 4.161 . 1 715 113 113 ALA C C 179.266 0.011 1 716 113 113 ALA CA C 54.717 0.033 1 717 113 113 ALA CB C 18.179 0.058 1 718 113 113 ALA N N 122.373 0.102 1 719 114 114 PHE H H 7.737 0.003 1 720 114 114 PHE HA H 4.278 . 1 721 114 114 PHE C C 177.695 0.011 1 722 114 114 PHE CA C 61.711 0.057 1 723 114 114 PHE CB C 39.333 0.043 1 724 114 114 PHE N N 122.474 0.099 1 725 115 115 LYS H H 8.842 0.003 1 726 115 115 LYS HA H 3.947 . 1 727 115 115 LYS C C 178.091 0.012 1 728 115 115 LYS CA C 60.329 0.06 1 729 115 115 LYS CB C 32.411 0.045 1 730 115 115 LYS CG C 25.484 0.021 1 731 115 115 LYS CD C 29.671 0.038 1 732 115 115 LYS CE C 41.039 . 1 733 115 115 LYS N N 118.916 0.106 1 734 116 116 SER H H 8.176 0.003 1 735 116 116 SER HA H 4.129 . 1 736 116 116 SER C C 175.794 . 1 737 116 116 SER CA C 60.843 0.114 1 738 116 116 SER CB C 62.438 0.059 1 739 116 116 SER N N 113.485 0.06 1 740 117 117 LYS H H 7.435 0.003 1 741 117 117 LYS HA H 3.801 . 1 742 117 117 LYS C C 177.224 0.006 1 743 117 117 LYS CA C 57.956 0.014 1 744 117 117 LYS CB C 33.082 0.041 1 745 117 117 LYS CG C 24.260 0.027 1 746 117 117 LYS CD C 28.901 0.011 1 747 117 117 LYS CE C 41.817 . 1 748 117 117 LYS N N 120.755 0.106 1 749 118 118 TRP H H 7.690 0.004 1 750 118 118 TRP HA H 4.556 . 1 751 118 118 TRP HE1 H 10.166 . 1 752 118 118 TRP C C 177.157 0.001 1 753 118 118 TRP CA C 58.068 0.045 1 754 118 118 TRP CB C 31.190 0.069 1 755 118 118 TRP N N 115.163 0.087 1 756 118 118 TRP NE1 N 129.371 . 1 757 119 119 GLU H H 8.673 0.002 1 758 119 119 GLU HA H 3.741 . 1 759 119 119 GLU C C 177.758 0.008 1 760 119 119 GLU CA C 60.167 0.033 1 761 119 119 GLU CB C 28.697 0.137 1 762 119 119 GLU CG C 38.447 0.002 1 763 119 119 GLU N N 121.169 0.095 1 764 120 120 GLY H H 8.261 0.002 1 765 120 120 GLY HA2 H 4.304 . 1 766 120 120 GLY HA3 H 3.811 . 1 767 120 120 GLY C C 174.135 . 1 768 120 120 GLY CA C 45.524 0.153 1 769 120 120 GLY N N 114.386 0.063 1 770 121 121 GLN H H 7.915 0.003 1 771 121 121 GLN HA H 4.454 . 1 772 121 121 GLN C C 173.266 0.01 1 773 121 121 GLN CA C 54.061 0.054 1 774 121 121 GLN CB C 28.997 0.023 1 775 121 121 GLN CG C 33.155 0.007 1 776 121 121 GLN N N 119.825 0.083 1 777 122 122 ALA H H 8.314 0.003 1 778 122 122 ALA HA H 5.521 . 1 779 122 122 ALA C C 176.532 0.007 1 780 122 122 ALA CA C 50.083 0.077 1 781 122 122 ALA CB C 20.475 0.081 1 782 122 122 ALA N N 121.705 0.083 1 783 123 123 LEU H H 8.924 0.002 1 784 123 123 LEU HA H 4.612 . 1 785 123 123 LEU C C 175.284 0.002 1 786 123 123 LEU CA C 53.195 0.047 1 787 123 123 LEU CB C 45.489 0.058 1 788 123 123 LEU CG C 26.716 0.041 1 789 123 123 LEU CD1 C 23.917 0.007 1 790 123 123 LEU N N 124.139 0.089 1 791 124 124 SER H H 8.242 0.003 1 792 124 124 SER HA H 5.180 . 1 793 124 124 SER C C 172.630 0.005 1 794 124 124 SER CA C 56.474 0.058 1 795 124 124 SER CB C 64.764 0.126 1 796 124 124 SER N N 117.383 0.094 1 797 125 125 TYR H H 7.969 0.003 1 798 125 125 TYR HA H 4.881 . 1 799 125 125 TYR C C 173.636 . 1 800 125 125 TYR CA C 54.347 0.025 1 801 125 125 TYR CB C 39.520 . 1 802 125 125 TYR N N 124.375 0.101 1 803 126 126 PRO C C 177.062 . 1 804 126 126 PRO CA C 63.180 0.038 1 805 126 126 PRO CB C 32.016 0.042 1 806 126 126 PRO CG C 27.391 0.014 1 807 126 126 PRO CD C 50.181 . 1 808 127 127 ASN H H 9.039 0.008 1 809 127 127 ASN HA H 4.519 . 1 810 127 127 ASN C C 174.967 0.001 1 811 127 127 ASN CA C 51.974 0.058 1 812 127 127 ASN CB C 36.678 0.105 1 813 127 127 ASN N N 109.615 0.093 1 814 128 128 PHE H H 7.823 0.007 1 815 128 128 PHE HA H 4.039 . 1 816 128 128 PHE C C 176.162 0.014 1 817 128 128 PHE CA C 60.603 0.051 1 818 128 128 PHE CB C 39.134 0.091 1 819 128 128 PHE N N 117.271 0.08 1 820 129 129 ILE H H 7.356 0.003 1 821 129 129 ILE HA H 4.292 . 1 822 129 129 ILE C C 173.412 0.005 1 823 129 129 ILE CA C 60.027 0.056 1 824 129 129 ILE CB C 41.325 0.127 1 825 129 129 ILE CG1 C 26.490 . 1 826 129 129 ILE CG2 C 17.990 0.001 1 827 129 129 ILE CD1 C 14.961 . 1 828 129 129 ILE N N 119.900 0.105 1 829 130 130 SER H H 8.177 0.003 1 830 130 130 SER HA H 4.851 . 1 831 130 130 SER C C 173.664 0.051 1 832 130 130 SER CA C 58.451 0.023 1 833 130 130 SER CB C 63.161 0.063 1 834 130 130 SER N N 122.298 0.074 1 835 131 131 THR H H 8.519 0.004 1 836 131 131 THR HA H 4.408 . 1 837 131 131 THR C C 172.918 . 1 838 131 131 THR CA C 59.875 . 1 839 131 131 THR CB C 71.821 . 1 840 131 131 THR N N 117.977 0.135 1 841 132 132 SER C C 175.279 . 1 842 132 132 SER CA C 56.584 0.076 1 843 132 132 SER CB C 66.321 . 1 844 133 133 ILE H H 9.082 0.006 1 845 133 133 ILE CA C 61.106 0.037 1 846 133 133 ILE N N 122.431 0.067 1 847 134 134 GLY H H 7.390 0.005 1 848 134 134 GLY CA C 43.560 . 1 849 134 134 GLY N N 104.002 0.094 1 850 142 142 ALA C C 178.364 . 1 851 142 142 ALA CA C 53.704 0.108 1 852 142 142 ALA CB C 17.954 0.143 1 853 143 143 LYS H H 7.702 0.006 1 854 143 143 LYS CA C 56.545 . 1 855 143 143 LYS N N 116.585 0.064 1 856 144 144 ARG C C 172.491 . 1 857 145 145 LYS CA C 57.487 0.002 1 858 146 146 ILE H H 7.433 0.003 1 859 146 146 ILE HA H 4.429 . 1 860 146 146 ILE C C 173.231 0.005 1 861 146 146 ILE CA C 60.720 0.102 1 862 146 146 ILE CB C 39.974 0.037 1 863 146 146 ILE CG2 C 17.517 0.071 1 864 146 146 ILE CD1 C 13.845 . 1 865 146 146 ILE N N 118.123 0.105 1 866 147 147 VAL H H 8.749 0.008 1 867 147 147 VAL CA C 60.707 . 1 868 147 147 VAL CB C 33.121 . 1 869 147 147 VAL N N 129.919 0.125 1 870 148 148 LEU C C 173.541 . 1 871 148 148 LEU CA C 53.531 0.055 1 872 148 148 LEU CB C 43.076 0.007 1 873 148 148 LEU CG C 27.237 0.131 1 874 148 148 LEU CD1 C 24.882 0.031 1 875 148 148 LEU CD2 C 24.166 0.037 1 876 149 149 ARG H H 9.060 0.003 1 877 149 149 ARG HA H 4.238 . 1 878 149 149 ARG C C 174.134 0.009 1 879 149 149 ARG CA C 54.355 0.17 1 880 149 149 ARG CB C 31.271 0.019 1 881 149 149 ARG CG C 26.997 0.014 1 882 149 149 ARG CD C 43.168 0.151 1 883 149 149 ARG N N 129.492 0.092 1 884 150 150 ILE H H 9.133 0.003 1 885 150 150 ILE HA H 4.589 . 1 886 150 150 ILE C C 174.836 0.009 1 887 150 150 ILE CA C 59.324 0.039 1 888 150 150 ILE CB C 40.504 0.076 1 889 150 150 ILE CG1 C 27.526 0.118 1 890 150 150 ILE CG2 C 18.459 0.002 1 891 150 150 ILE CD1 C 13.428 0.041 1 892 150 150 ILE N N 129.592 0.092 1 893 151 151 THR H H 8.981 0.004 1 894 151 151 THR HA H 4.555 . 1 895 151 151 THR C C 172.402 0.005 1 896 151 151 THR CA C 62.748 0.06 1 897 151 151 THR CB C 68.793 0.074 1 898 151 151 THR CG2 C 20.007 0.016 1 899 151 151 THR N N 123.808 0.099 1 900 152 152 ILE H H 9.758 0.004 1 901 152 152 ILE HA H 4.440 . 1 902 152 152 ILE C C 173.155 . 1 903 152 152 ILE CA C 56.940 0.013 1 904 152 152 ILE CB C 38.528 . 1 905 152 152 ILE N N 131.246 0.131 1 906 153 153 PRO C C 176.907 . 1 907 153 153 PRO CA C 61.624 0.049 1 908 153 153 PRO CB C 32.198 0.061 1 909 153 153 PRO CG C 27.383 0.026 1 910 153 153 PRO CD C 51.825 0.13 1 911 154 154 LYS H H 8.478 0.005 1 912 154 154 LYS C C 176.332 0.003 1 913 154 154 LYS CA C 57.377 0.078 1 914 154 154 LYS CB C 32.348 0.11 1 915 154 154 LYS CG C 23.623 0.037 1 916 154 154 LYS CD C 29.542 0.029 1 917 154 154 LYS CE C 41.610 0.003 1 918 154 154 LYS N N 125.159 0.101 1 919 155 155 GLY H H 9.471 0.004 1 920 155 155 GLY HA2 H 4.365 . 1 921 155 155 GLY C C 174.024 0.049 1 922 155 155 GLY CA C 44.187 0.097 1 923 155 155 GLY N N 115.872 0.072 1 924 156 156 SER H H 7.594 0.004 1 925 156 156 SER HA H 4.633 . 1 926 156 156 SER C C 169.193 . 1 927 156 156 SER CA C 57.966 0.007 1 928 156 156 SER CB C 61.905 . 1 929 156 156 SER N N 119.904 0.064 1 930 157 157 PRO C C 174.627 . 1 931 157 157 PRO CA C 62.539 0.087 1 932 157 157 PRO CB C 30.781 0.11 1 933 157 157 PRO CG C 27.203 0.039 1 934 157 157 PRO CD C 49.715 0.065 1 935 158 158 GLY H H 8.257 0.004 1 936 158 158 GLY HA2 H 3.965 . 1 937 158 158 GLY C C 169.567 0.0 1 938 158 158 GLY CA C 44.703 0.089 1 939 158 158 GLY N N 109.997 0.081 1 940 159 159 ALA H H 6.982 0.004 1 941 159 159 ALA HA H 3.491 . 1 942 159 159 ALA C C 174.380 . 1 943 159 159 ALA CA C 50.972 0.063 1 944 159 159 ALA CB C 21.564 . 1 945 159 159 ALA N N 113.352 0.071 1 946 160 160 TYR C C 173.433 . 1 947 160 160 TYR CA C 54.975 0.106 1 948 160 160 TYR CB C 37.483 0.012 1 949 161 161 LEU H H 7.571 0.004 1 950 161 161 LEU C C 177.316 . 1 951 161 161 LEU CA C 56.272 0.058 1 952 161 161 LEU CB C 41.343 0.081 1 953 161 161 LEU CG C 25.062 0.068 1 954 161 161 LEU CD1 C 21.635 . 1 955 161 161 LEU N N 129.105 0.069 1 956 162 162 SER H H 6.132 0.005 1 957 162 162 SER C C 171.945 . 1 958 162 162 SER CA C 60.498 0.11 1 959 162 162 SER CB C 61.639 0.044 1 960 162 162 SER N N 109.653 0.063 1 961 163 163 ALA H H 7.261 0.004 1 962 163 163 ALA HA H 4.331 . 1 963 163 163 ALA C C 177.110 0.009 1 964 163 163 ALA CA C 52.256 0.128 1 965 163 163 ALA CB C 19.431 0.074 1 966 163 163 ALA N N 122.230 0.123 1 967 164 164 ILE H H 7.996 0.003 1 968 164 164 ILE HA H 4.324 . 1 969 164 164 ILE C C 173.965 . 1 970 164 164 ILE CA C 58.935 0.055 1 971 164 164 ILE CB C 37.101 . 1 972 164 164 ILE N N 124.209 0.089 1 973 165 165 PRO C C 177.451 . 1 974 165 165 PRO CA C 63.425 0.071 1 975 165 165 PRO CB C 31.556 0.02 1 976 165 165 PRO CG C 27.323 . 1 977 165 165 PRO CD C 51.080 0.024 1 978 166 166 GLY H H 8.704 0.003 1 979 166 166 GLY HA2 H 4.688 . 1 980 166 166 GLY C C 173.765 0.0 1 981 166 166 GLY CA C 45.022 0.125 1 982 166 166 GLY N N 112.025 0.091 1 983 167 167 TYR H H 7.666 0.003 1 984 167 167 TYR C C 175.522 0.017 1 985 167 167 TYR CA C 56.603 0.067 1 986 167 167 TYR CB C 38.451 0.053 1 987 167 167 TYR N N 122.515 0.1 1 988 168 168 ALA H H 8.149 0.004 1 989 168 168 ALA C C 177.132 . 1 990 168 168 ALA CA C 52.032 0.022 1 991 168 168 ALA CB C 18.452 . 1 992 168 168 ALA N N 131.310 0.074 1 993 169 169 GLY C C 172.373 . 1 994 169 169 GLY CA C 45.222 0.199 1 995 170 170 GLU H H 8.337 0.003 1 996 170 170 GLU HA H 4.039 . 1 997 170 170 GLU C C 174.438 0.02 1 998 170 170 GLU CA C 55.021 0.113 1 999 170 170 GLU CB C 30.079 0.027 1 1000 170 170 GLU CG C 36.142 0.001 1 1001 170 170 GLU N N 124.154 0.086 1 1002 171 171 TYR H H 8.415 0.005 1 1003 171 171 TYR HA H 5.164 . 1 1004 171 171 TYR C C 175.676 0.011 1 1005 171 171 TYR CA C 57.108 0.096 1 1006 171 171 TYR CB C 35.939 0.08 1 1007 171 171 TYR N N 124.723 0.086 1 1008 172 172 GLU H H 8.009 0.004 1 1009 172 172 GLU HA H 4.848 . 1 1010 172 172 GLU C C 175.369 0.029 1 1011 172 172 GLU CA C 56.894 0.01 1 1012 172 172 GLU CB C 32.848 0.01 1 1013 172 172 GLU CG C 36.154 0.03 1 1014 172 172 GLU N N 119.933 0.067 1 1015 173 173 VAL H H 8.534 0.004 1 1016 173 173 VAL HA H 4.682 . 1 1017 173 173 VAL C C 175.284 0.007 1 1018 173 173 VAL CA C 60.141 0.038 1 1019 173 173 VAL CB C 32.318 0.031 1 1020 173 173 VAL CG1 C 22.406 0.027 1 1021 173 173 VAL CG2 C 19.996 0.025 1 1022 173 173 VAL N N 126.832 0.126 1 1023 174 174 LEU H H 8.322 0.004 1 1024 174 174 LEU HA H 4.895 . 1 1025 174 174 LEU C C 173.584 0.037 1 1026 174 174 LEU CA C 53.456 0.041 1 1027 174 174 LEU CB C 44.348 0.151 1 1028 174 174 LEU CG C 24.795 0.097 1 1029 174 174 LEU CD1 C 23.104 0.019 1 1030 174 174 LEU N N 132.517 0.093 1 1031 175 175 LEU H H 8.599 0.004 1 1032 175 175 LEU HA H 4.803 . 1 1033 175 175 LEU C C 177.070 0.009 1 1034 175 175 LEU CA C 52.340 0.064 1 1035 175 175 LEU CB C 42.652 0.071 1 1036 175 175 LEU CG C 26.336 0.08 1 1037 175 175 LEU CD1 C 21.723 0.05 1 1038 175 175 LEU N N 123.825 0.066 1 1039 176 176 ASN H H 9.203 0.005 1 1040 176 176 ASN C C 175.157 0.0 1 1041 176 176 ASN CA C 52.366 0.059 1 1042 176 176 ASN CB C 38.289 0.071 1 1043 176 176 ASN N N 116.380 0.096 1 1044 177 177 HIS H H 6.335 0.003 1 1045 177 177 HIS C C 172.791 0.005 1 1046 177 177 HIS CA C 53.843 0.042 1 1047 177 177 HIS CB C 26.525 0.077 1 1048 177 177 HIS N N 125.926 0.101 1 1049 178 178 GLY H H 7.552 0.005 1 1050 178 178 GLY HA2 H 3.745 . 1 1051 178 178 GLY C C 174.853 0.002 1 1052 178 178 GLY CA C 45.999 0.09 1 1053 178 178 GLY N N 112.791 0.074 1 1054 179 179 SER H H 7.885 0.006 1 1055 179 179 SER HA H 4.046 . 1 1056 179 179 SER C C 170.692 0.013 1 1057 179 179 SER CA C 60.703 0.089 1 1058 179 179 SER CB C 64.102 0.082 1 1059 179 179 SER N N 118.379 0.124 1 1060 180 180 LYS H H 8.062 0.003 1 1061 180 180 LYS HA H 5.039 . 1 1062 180 180 LYS C C 173.876 0.005 1 1063 180 180 LYS CA C 53.737 0.057 1 1064 180 180 LYS CB C 35.223 0.134 1 1065 180 180 LYS CG C 24.365 0.0 1 1066 180 180 LYS CD C 29.018 0.024 1 1067 180 180 LYS CE C 41.567 . 1 1068 180 180 LYS N N 122.688 0.089 1 1069 181 181 PHE H H 8.862 0.003 1 1070 181 181 PHE HA H 5.359 . 1 1071 181 181 PHE C C 174.558 0.001 1 1072 181 181 PHE CA C 54.195 0.104 1 1073 181 181 PHE CB C 41.785 0.049 1 1074 181 181 PHE N N 118.797 0.082 1 1075 182 182 LYS H H 9.072 0.002 1 1076 182 182 LYS HA H 4.656 . 1 1077 182 182 LYS C C 175.413 0.011 1 1078 182 182 LYS CA C 54.557 0.069 1 1079 182 182 LYS CB C 33.924 0.007 1 1080 182 182 LYS CG C 24.471 0.001 1 1081 182 182 LYS CD C 28.581 0.019 1 1082 182 182 LYS CE C 41.673 . 1 1083 182 182 LYS N N 125.214 0.087 1 1084 183 183 ILE H H 8.967 0.003 1 1085 183 183 ILE HA H 4.027 . 1 1086 183 183 ILE C C 175.386 0.003 1 1087 183 183 ILE CA C 61.955 0.055 1 1088 183 183 ILE CB C 36.422 0.074 1 1089 183 183 ILE CG1 C 27.640 0.076 1 1090 183 183 ILE CG2 C 18.158 0.008 1 1091 183 183 ILE CD1 C 13.509 0.001 1 1092 183 183 ILE N N 127.876 0.084 1 1093 184 184 ASN H H 9.558 0.003 1 1094 184 184 ASN HA H 4.787 . 1 1095 184 184 ASN C C 174.765 0.007 1 1096 184 184 ASN CA C 54.614 0.022 1 1097 184 184 ASN CB C 40.531 0.066 1 1098 184 184 ASN N N 128.948 0.095 1 1099 185 185 LYS H H 7.705 0.003 1 1100 185 185 LYS HA H 4.632 . 1 1101 185 185 LYS C C 172.967 0.01 1 1102 185 185 LYS CA C 55.564 0.053 1 1103 185 185 LYS CB C 35.293 0.095 1 1104 185 185 LYS CG C 24.099 0.039 1 1105 185 185 LYS CD C 28.678 0.013 1 1106 185 185 LYS CE C 41.643 . 1 1107 185 185 LYS N N 117.923 0.09 1 1108 186 186 ILE H H 9.101 0.002 1 1109 186 186 ILE HA H 4.801 . 1 1110 186 186 ILE C C 172.960 0.004 1 1111 186 186 ILE CA C 60.286 0.07 1 1112 186 186 ILE CB C 40.410 0.02 1 1113 186 186 ILE CG1 C 28.669 0.047 1 1114 186 186 ILE CG2 C 17.844 0.012 1 1115 186 186 ILE CD1 C 15.130 0.019 1 1116 186 186 ILE N N 126.000 0.082 1 1117 187 187 ASP H H 8.757 0.004 1 1118 187 187 ASP HA H 5.059 . 1 1119 187 187 ASP C C 173.639 0.003 1 1120 187 187 ASP CA C 51.700 0.092 1 1121 187 187 ASP CB C 44.894 0.143 1 1122 187 187 ASP N N 128.158 0.08 1 1123 188 188 SER H H 8.726 0.004 1 1124 188 188 SER HA H 5.514 . 1 1125 188 188 SER C C 172.691 0.002 1 1126 188 188 SER CA C 56.117 0.023 1 1127 188 188 SER CB C 66.920 0.106 1 1128 188 188 SER N N 114.762 0.101 1 1129 189 189 TYR H H 8.995 0.003 1 1130 189 189 TYR HA H 4.736 . 1 1131 189 189 TYR C C 171.418 0.0 1 1132 189 189 TYR CA C 55.897 0.065 1 1133 189 189 TYR CB C 39.758 0.035 1 1134 189 189 TYR N N 119.814 0.089 1 1135 190 190 LYS H H 8.478 0.003 1 1136 190 190 LYS HA H 4.381 . 1 1137 190 190 LYS C C 174.810 0.007 1 1138 190 190 LYS CA C 54.496 0.041 1 1139 190 190 LYS CB C 32.923 0.019 1 1140 190 190 LYS CG C 24.089 0.013 1 1141 190 190 LYS CD C 28.450 0.008 1 1142 190 190 LYS CE C 41.393 0.132 1 1143 190 190 LYS N N 120.637 0.088 1 1144 191 191 ASP H H 8.490 0.002 1 1145 191 191 ASP HA H 4.788 . 1 1146 191 191 ASP C C 175.948 0.017 1 1147 191 191 ASP CA C 51.289 0.081 1 1148 191 191 ASP CB C 40.817 0.168 1 1149 191 191 ASP N N 126.846 0.105 1 1150 192 192 GLY H H 8.647 0.004 1 1151 192 192 GLY HA2 H 3.568 . 1 1152 192 192 GLY C C 174.678 0.007 1 1153 192 192 GLY CA C 46.456 0.042 1 1154 192 192 GLY N N 115.726 0.094 1 1155 193 193 THR H H 8.582 0.004 1 1156 193 193 THR C C 174.182 . 1 1157 193 193 THR CA C 61.570 0.03 1 1158 193 193 THR CB C 68.764 0.156 1 1159 193 193 THR CG2 C 21.110 0.043 1 1160 193 193 THR N N 118.399 0.057 1 1161 194 194 ILE H H 7.656 0.002 1 1162 194 194 ILE HA H 4.219 . 1 1163 194 194 ILE C C 174.891 0.006 1 1164 194 194 ILE CA C 59.636 0.024 1 1165 194 194 ILE CB C 39.172 0.001 1 1166 194 194 ILE CG1 C 26.468 0.008 1 1167 194 194 ILE CG2 C 17.305 0.009 1 1168 194 194 ILE CD1 C 11.442 0.012 1 1169 194 194 ILE N N 124.815 0.099 1 1170 195 195 THR H H 8.520 0.003 1 1171 195 195 THR HA H 4.341 . 1 1172 195 195 THR C C 172.244 0.016 1 1173 195 195 THR CA C 63.474 0.068 1 1174 195 195 THR CB C 67.826 0.121 1 1175 195 195 THR CG2 C 22.335 0.035 1 1176 195 195 THR N N 126.270 0.087 1 1177 196 196 LYS H H 8.756 0.003 1 1178 196 196 LYS HA H 4.534 . 1 1179 196 196 LYS C C 172.720 0.001 1 1180 196 196 LYS CA C 54.321 0.037 1 1181 196 196 LYS CB C 35.719 0.065 1 1182 196 196 LYS CG C 26.882 0.022 1 1183 196 196 LYS N N 129.037 0.082 1 1184 197 197 LEU H H 8.365 0.003 1 1185 197 197 LEU HA H 5.017 . 1 1186 197 197 LEU C C 175.697 0.009 1 1187 197 197 LEU CA C 52.531 0.074 1 1188 197 197 LEU CB C 44.481 0.092 1 1189 197 197 LEU CG C 25.250 0.107 1 1190 197 197 LEU CD1 C 21.979 0.077 1 1191 197 197 LEU N N 116.939 0.094 1 1192 198 198 ILE H H 8.592 0.004 1 1193 198 198 ILE HA H 4.855 . 1 1194 198 198 ILE C C 174.472 0.001 1 1195 198 198 ILE CA C 58.874 0.072 1 1196 198 198 ILE CB C 40.104 0.062 1 1197 198 198 ILE CG1 C 27.481 0.008 1 1198 198 198 ILE CG2 C 16.968 . 1 1199 198 198 ILE CD1 C 13.090 0.195 1 1200 198 198 ILE N N 120.961 0.108 1 1201 199 199 VAL H H 9.350 0.007 1 1202 199 199 VAL HA H 4.348 . 1 1203 199 199 VAL C C 173.318 0.006 1 1204 199 199 VAL CA C 60.537 0.047 1 1205 199 199 VAL CB C 32.376 0.071 1 1206 199 199 VAL CG1 C 22.082 0.025 1 1207 199 199 VAL CG2 C 20.386 0.018 1 1208 199 199 VAL N N 131.716 0.12 1 1209 200 200 ASP H H 9.055 0.003 1 1210 200 200 ASP HA H 5.456 . 1 1211 200 200 ASP C C 174.774 0.012 1 1212 200 200 ASP CA C 53.796 0.153 1 1213 200 200 ASP CB C 42.910 0.136 1 1214 200 200 ASP N N 130.118 0.095 1 1215 201 201 ALA H H 9.141 0.003 1 1216 201 201 ALA HA H 5.708 . 1 1217 201 201 ALA C C 175.532 0.018 1 1218 201 201 ALA CA C 49.687 0.101 1 1219 201 201 ALA CB C 23.571 0.074 1 1220 201 201 ALA N N 129.000 0.083 1 1221 202 202 THR H H 8.951 0.003 1 1222 202 202 THR HA H 5.034 . 1 1223 202 202 THR C C 173.119 0.02 1 1224 202 202 THR CA C 60.832 0.061 1 1225 202 202 THR CB C 71.256 0.113 1 1226 202 202 THR CG2 C 21.262 0.112 1 1227 202 202 THR N N 117.880 0.099 1 1228 203 203 LEU H H 8.282 0.003 1 1229 203 203 LEU HA H 4.472 . 1 1230 203 203 LEU C C 174.288 0.015 1 1231 203 203 LEU CA C 55.910 0.065 1 1232 203 203 LEU CB C 42.954 0.087 1 1233 203 203 LEU CG C 26.115 0.006 1 1234 203 203 LEU CD1 C 24.425 0.021 1 1235 203 203 LEU N N 129.871 0.118 1 1236 204 204 ILE H H 8.467 0.003 1 1237 204 204 ILE HA H 4.540 . 1 1238 204 204 ILE C C 172.857 . 1 1239 204 204 ILE CA C 57.472 0.043 1 1240 204 204 ILE CB C 38.140 . 1 1241 204 204 ILE N N 128.497 0.097 1 stop_ save_ save_peak_list_1 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '3D HNCACB' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 N 15N 3 C 13C stop_ _Sample_label $13C15N-cMSD1 _Sample_conditions_label $cMSD1_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1 >> _Spectral_peak_list.Entry_ID 25665 >> _Spectral_peak_list.ID 1 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $13C15N-cMSD1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $cMSD1_1 >> _Spectral_peak_list.Experiment_ID 1 >> _Spectral_peak_list.Experiment_name '3D HNCACB' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _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.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 1H . . 4169.17089844 . . . . 25665 1 >> 2 N 15 15N . . 2595.20507812 . . . . 25665 1 >> 3 C 13 13C . . 12879.18457030 . . . . 25665 1 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 25665 1 >> 10 1.0 . 25665 1 >> 100 1.0 . 25665 1 >> 101 1.0 . 25665 1 >> 102 1.0 . 25665 1 >> 103 1.0 . 25665 1 >> 104 1.0 . 25665 1 >> 105 1.0 . 25665 1 >> 106 1.0 . 25665 1 >> 107 1.0 . 25665 1 >> 108 1.0 . 25665 1 >> 109 1.0 . 25665 1 >> 11 1.0 . 25665 1 >> 110 1.0 . 25665 1 >> 111 1.0 . 25665 1 >> 112 1.0 . 25665 1 >> 113 1.0 . 25665 1 >> 114 1.0 . 25665 1 >> 115 1.0 . 25665 1 >> 116 1.0 . 25665 1 >> 117 1.0 . 25665 1 >> 118 1.0 . 25665 1 >> 119 1.0 . 25665 1 >> 12 1.0 . 25665 1 >> 120 1.0 . 25665 1 >> 121 1.0 . 25665 1 >> 122 1.0 . 25665 1 >> 123 1.0 . 25665 1 >> 124 1.0 . 25665 1 >> 125 1.0 . 25665 1 >> 126 1.0 . 25665 1 >> 127 1.0 . 25665 1 >> 128 1.0 . 25665 1 >> 129 1.0 . 25665 1 >> 13 1.0 . 25665 1 >> 130 1.0 . 25665 1 >> 131 1.0 . 25665 1 >> 132 1.0 . 25665 1 >> 133 1.0 . 25665 1 >> 134 1.0 . 25665 1 >> 135 1.0 . 25665 1 >> 136 1.0 . 25665 1 >> 137 1.0 . 25665 1 >> 138 1.0 . 25665 1 >> 139 1.0 . 25665 1 >> 14 1.0 . 25665 1 >> 140 1.0 . 25665 1 >> 141 1.0 . 25665 1 >> 142 1.0 . 25665 1 >> 143 1.0 . 25665 1 >> 144 1.0 . 25665 1 >> 145 1.0 . 25665 1 >> 146 1.0 . 25665 1 >> 147 1.0 . 25665 1 >> 148 1.0 . 25665 1 >> 149 1.0 . 25665 1 >> 15 1.0 . 25665 1 >> 150 1.0 . 25665 1 >> 151 1.0 . 25665 1 >> 152 1.0 . 25665 1 >> 153 1.0 . 25665 1 >> 154 1.0 . 25665 1 >> 16 1.0 . 25665 1 >> 17 1.0 . 25665 1 >> 18 1.0 . 25665 1 >> 19 1.0 . 25665 1 >> 2 1.0 . 25665 1 >> 20 1.0 . 25665 1 >> 21 1.0 . 25665 1 >> 22 1.0 . 25665 1 >> 23 1.0 . 25665 1 >> 24 1.0 . 25665 1 >> 25 1.0 . 25665 1 >> 26 1.0 . 25665 1 >> 27 1.0 . 25665 1 >> 28 1.0 . 25665 1 >> 29 1.0 . 25665 1 >> 3 1.0 . 25665 1 >> 30 1.0 . 25665 1 >> 31 1.0 . 25665 1 >> 32 1.0 . 25665 1 >> 33 1.0 . 25665 1 >> 34 1.0 . 25665 1 >> 35 1.0 . 25665 1 >> 36 1.0 . 25665 1 >> 37 1.0 . 25665 1 >> 38 1.0 . 25665 1 >> 39 1.0 . 25665 1 >> 4 1.0 . 25665 1 >> 40 1.0 . 25665 1 >> 41 1.0 . 25665 1 >> 42 1.0 . 25665 1 >> 43 1.0 . 25665 1 >> 44 1.0 . 25665 1 >> 45 1.0 . 25665 1 >> 46 1.0 . 25665 1 >> 47 1.0 . 25665 1 >> 48 1.0 . 25665 1 >> 49 1.0 . 25665 1 >> 5 1.0 . 25665 1 >> 50 1.0 . 25665 1 >> 51 1.0 . 25665 1 >> 52 1.0 . 25665 1 >> 53 1.0 . 25665 1 >> 54 1.0 . 25665 1 >> 55 1.0 . 25665 1 >> 56 1.0 . 25665 1 >> 57 1.0 . 25665 1 >> 58 1.0 . 25665 1 >> 59 1.0 . 25665 1 >> 6 1.0 . 25665 1 >> 60 1.0 . 25665 1 >> 61 1.0 . 25665 1 >> 62 1.0 . 25665 1 >> 63 1.0 . 25665 1 >> 64 1.0 . 25665 1 >> 65 1.0 . 25665 1 >> 66 1.0 . 25665 1 >> 67 1.0 . 25665 1 >> 68 1.0 . 25665 1 >> 69 1.0 . 25665 1 >> 7 1.0 . 25665 1 >> 70 1.0 . 25665 1 >> 71 1.0 . 25665 1 >> 72 1.0 . 25665 1 >> 73 1.0 . 25665 1 >> 74 1.0 . 25665 1 >> 75 1.0 . 25665 1 >> 76 1.0 . 25665 1 >> 77 1.0 . 25665 1 >> 78 1.0 . 25665 1 >> 79 1.0 . 25665 1 >> 8 1.0 . 25665 1 >> 80 1.0 . 25665 1 >> 81 1.0 . 25665 1 >> 82 1.0 . 25665 1 >> 83 1.0 . 25665 1 >> 84 1.0 . 25665 1 >> 85 1.0 . 25665 1 >> 86 1.0 . 25665 1 >> 87 1.0 . 25665 1 >> 88 1.0 . 25665 1 >> 89 1.0 . 25665 1 >> 9 1.0 . 25665 1 >> 90 1.0 . 25665 1 >> 91 1.0 . 25665 1 >> 92 1.0 . 25665 1 >> 93 1.0 . 25665 1 >> 94 1.0 . 25665 1 >> 95 1.0 . 25665 1 >> 96 1.0 . 25665 1 >> 97 1.0 . 25665 1 >> 98 1.0 . 25665 1 >> 99 1.0 . 25665 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 -1805218.37500 . height 25665 1 >> 1 -38220480.00000 . volume 25665 1 >> 2 -1519506.75000 . height 25665 1 >> 2 -31954691.50000 . volume 25665 1 >> 3 -2337649.00000 . height 25665 1 >> 3 -49313040.75000 . volume 25665 1 >> 4 -1621840.37500 . height 25665 1 >> 4 -33670474.43750 . volume 25665 1 >> 5 -1813101.87500 . height 25665 1 >> 5 -37490177.31250 . volume 25665 1 >> 6 -3118531.50000 . height 25665 1 >> 6 -63007288.50000 . volume 25665 1 >> 7 -3086831.50000 . height 25665 1 >> 7 -62950443.37500 . volume 25665 1 >> 8 -2193191.50000 . height 25665 1 >> 8 -45338967.37500 . volume 25665 1 >> 9 -3862834.25000 . height 25665 1 >> 9 -78340661.75000 . volume 25665 1 >> 10 -4099001.25000 . height 25665 1 >> 10 -85121172.75000 . volume 25665 1 >> 11 -2123142.75000 . height 25665 1 >> 11 -42456692.75000 . volume 25665 1 >> 12 -1367136.25000 . height 25665 1 >> 12 -29140865.06250 . volume 25665 1 >> 13 -2974840.75000 . height 25665 1 >> 13 -60418255.87500 . volume 25665 1 >> 14 -1634290.12500 . height 25665 1 >> 14 -33633461.43750 . volume 25665 1 >> 15 -2713555.50000 . height 25665 1 >> 15 -56515998.75000 . volume 25665 1 >> 16 -3028213.75000 . height 25665 1 >> 16 -62308028.25000 . volume 25665 1 >> 17 -1515701.37500 . height 25665 1 >> 17 -31902316.62500 . volume 25665 1 >> 18 -1454731.62500 . height 25665 1 >> 18 -30300347.81250 . volume 25665 1 >> 19 -792708.43750 . height 25665 1 >> 19 -17020165.53120 . volume 25665 1 >> 20 -1678592.87500 . height 25665 1 >> 20 -34583769.75000 . volume 25665 1 >> 21 -3117571.25000 . height 25665 1 >> 21 -63939892.25000 . volume 25665 1 >> 22 -856141.81250 . height 25665 1 >> 22 -17689969.43750 . volume 25665 1 >> 23 -2535040.75000 . height 25665 1 >> 23 -51099151.00000 . volume 25665 1 >> 24 -3727276.25000 . height 25665 1 >> 24 -80625147.37500 . volume 25665 1 >> 25 -1724694.75000 . height 25665 1 >> 25 -35798904.43750 . volume 25665 1 >> 26 -1924437.75000 . height 25665 1 >> 26 -39936501.31250 . volume 25665 1 >> 27 -908736.00000 . height 25665 1 >> 27 -18909877.31250 . volume 25665 1 >> 28 -1580294.00000 . height 25665 1 >> 28 -32317575.00000 . volume 25665 1 >> 29 -1590790.62500 . height 25665 1 >> 29 -33508526.56250 . volume 25665 1 >> 30 -1347712.50000 . height 25665 1 >> 30 -28043008.68750 . volume 25665 1 >> 31 -3142345.50000 . height 25665 1 >> 31 -65645255.87500 . volume 25665 1 >> 32 -590024.12500 . height 25665 1 >> 32 -12338403.09380 . volume 25665 1 >> 33 -1599443.25000 . height 25665 1 >> 33 -33926609.68750 . volume 25665 1 >> 34 -2748221.50000 . height 25665 1 >> 34 -56657863.75000 . volume 25665 1 >> 35 -882362.87500 . height 25665 1 >> 35 -18251538.56250 . volume 25665 1 >> 36 -1502526.75000 . height 25665 1 >> 36 -31167405.31250 . volume 25665 1 >> 37 -3126265.00000 . height 25665 1 >> 37 -63229503.12500 . volume 25665 1 >> 38 -3505150.50000 . height 25665 1 >> 38 -71603141.50000 . volume 25665 1 >> 39 -485794.21875 . height 25665 1 >> 39 -10309228.96880 . volume 25665 1 >> 40 -2001101.12500 . height 25665 1 >> 40 -41190651.75000 . volume 25665 1 >> 41 -3415040.75000 . height 25665 1 >> 41 -71897928.00000 . volume 25665 1 >> 42 -3430195.00000 . height 25665 1 >> 42 -71123582.50000 . volume 25665 1 >> 43 -881282.06250 . height 25665 1 >> 43 -15645804.37500 . volume 25665 1 >> 44 -4087059.75000 . height 25665 1 >> 44 -83928087.12500 . volume 25665 1 >> 45 -1898408.25000 . height 25665 1 >> 45 -39539226.06250 . volume 25665 1 >> 46 -1396151.62500 . height 25665 1 >> 46 -29209137.06250 . volume 25665 1 >> 47 -1406938.12500 . height 25665 1 >> 47 -29785799.43750 . volume 25665 1 >> 48 -2443731.50000 . height 25665 1 >> 48 -50092684.87500 . volume 25665 1 >> 49 -1173066.37500 . height 25665 1 >> 49 -24356052.43750 . volume 25665 1 >> 50 -2487513.75000 . height 25665 1 >> 50 -51660315.25000 . volume 25665 1 >> 51 -1498326.75000 . height 25665 1 >> 51 -31138706.31250 . volume 25665 1 >> 52 -2200305.25000 . height 25665 1 >> 52 -45351156.12500 . volume 25665 1 >> 53 -1451779.00000 . height 25665 1 >> 53 -30332435.50000 . volume 25665 1 >> 54 -1827024.37500 . height 25665 1 >> 54 -38200293.00000 . volume 25665 1 >> 55 -4279377.50000 . height 25665 1 >> 55 -87839910.50000 . volume 25665 1 >> 56 -1465583.00000 . height 25665 1 >> 56 -29691652.68750 . volume 25665 1 >> 57 -1135288.50000 . height 25665 1 >> 57 -23376642.68750 . volume 25665 1 >> 58 -1766758.87500 . height 25665 1 >> 58 -36539311.37500 . volume 25665 1 >> 59 -3850145.50000 . height 25665 1 >> 59 -79945458.75000 . volume 25665 1 >> 60 -2880760.50000 . height 25665 1 >> 60 -59797023.87500 . volume 25665 1 >> 61 -3327606.50000 . height 25665 1 >> 61 -69453644.75000 . volume 25665 1 >> 62 -994372.93750 . height 25665 1 >> 62 -20619101.06250 . volume 25665 1 >> 63 -1255533.12500 . height 25665 1 >> 63 -26299816.12500 . volume 25665 1 >> 64 -3128182.75000 . height 25665 1 >> 64 -65568403.00000 . volume 25665 1 >> 65 -4584695.50000 . height 25665 1 >> 65 -95286681.75000 . volume 25665 1 >> 66 -4773199.00000 . height 25665 1 >> 66 -97095812.25000 . volume 25665 1 >> 67 -2726829.50000 . height 25665 1 >> 67 -56834920.12500 . volume 25665 1 >> 68 -1152373.62500 . height 25665 1 >> 68 -24236007.56250 . volume 25665 1 >> 69 -826824.43750 . height 25665 1 >> 69 -16590461.21880 . volume 25665 1 >> 70 -1112555.75000 . height 25665 1 >> 70 -23173770.68750 . volume 25665 1 >> 71 -779440.43750 . height 25665 1 >> 71 -15637672.00000 . volume 25665 1 >> 72 -792427.18750 . height 25665 1 >> 72 -16969678.06250 . volume 25665 1 >> 73 -511572.71875 . height 25665 1 >> 73 -11598038.56250 . volume 25665 1 >> 74 -1073045.25000 . height 25665 1 >> 74 -22512076.59380 . volume 25665 1 >> 75 -1276852.12500 . height 25665 1 >> 75 -26886838.68750 . volume 25665 1 >> 76 -2722760.75000 . height 25665 1 >> 76 -55251141.87500 . volume 25665 1 >> 77 -3198244.50000 . height 25665 1 >> 77 -66798434.87500 . volume 25665 1 >> 78 -838023.93750 . height 25665 1 >> 78 -17748992.50000 . volume 25665 1 >> 79 -1967364.25000 . height 25665 1 >> 79 -41185790.75000 . volume 25665 1 >> 80 -4744822.50000 . height 25665 1 >> 80 -97629713.75000 . volume 25665 1 >> 81 -3213010.75000 . height 25665 1 >> 81 -66461367.00000 . volume 25665 1 >> 82 -3390731.25000 . height 25665 1 >> 82 -69379485.00000 . volume 25665 1 >> 83 -895438.87500 . height 25665 1 >> 83 -18831165.50000 . volume 25665 1 >> 84 -2658610.50000 . height 25665 1 >> 84 -55247332.50000 . volume 25665 1 >> 85 -3583220.00000 . height 25665 1 >> 85 -72855700.25000 . volume 25665 1 >> 86 -2342659.50000 . height 25665 1 >> 86 -49542019.12500 . volume 25665 1 >> 87 -1834528.12500 . height 25665 1 >> 87 -38894243.37500 . volume 25665 1 >> 88 -2263223.75000 . height 25665 1 >> 88 -46977254.06250 . volume 25665 1 >> 89 -1766356.62500 . height 25665 1 >> 89 -35560766.62500 . volume 25665 1 >> 90 -2175722.00000 . height 25665 1 >> 90 -45361128.87500 . volume 25665 1 >> 91 -3109767.50000 . height 25665 1 >> 91 -63477821.62500 . volume 25665 1 >> 92 -2060162.00000 . height 25665 1 >> 92 -42966113.50000 . volume 25665 1 >> 93 -446884.68750 . height 25665 1 >> 93 -9393119.90625 . volume 25665 1 >> 94 -1129286.12500 . height 25665 1 >> 94 -23709501.62500 . volume 25665 1 >> 95 -1192299.37500 . height 25665 1 >> 95 -25068955.93750 . volume 25665 1 >> 96 -1650498.75000 . height 25665 1 >> 96 -34693400.50000 . volume 25665 1 >> 97 -986314.43750 . height 25665 1 >> 97 -20340413.50000 . volume 25665 1 >> 98 -1670711.75000 . height 25665 1 >> 98 -35289821.50000 . volume 25665 1 >> 99 -4784334.00000 . height 25665 1 >> 99 -98486151.00000 . volume 25665 1 >> 100 -1222323.62500 . height 25665 1 >> 100 -25973977.68750 . volume 25665 1 >> 101 -535683.37500 . height 25665 1 >> 101 -11035193.06250 . volume 25665 1 >> 102 -3363364.75000 . height 25665 1 >> 102 -70246256.62500 . volume 25665 1 >> 103 -3853366.00000 . height 25665 1 >> 103 -79146770.37500 . volume 25665 1 >> 104 -1086596.50000 . height 25665 1 >> 104 -22187612.50000 . volume 25665 1 >> 105 -2051511.25000 . height 25665 1 >> 105 -42256523.62500 . volume 25665 1 >> 106 -2976198.25000 . height 25665 1 >> 106 -62237417.00000 . volume 25665 1 >> 107 -2682431.50000 . height 25665 1 >> 107 -55568190.50000 . volume 25665 1 >> 108 -5013641.00000 . height 25665 1 >> 108 -102256495.00000 . volume 25665 1 >> 109 -910623.75000 . height 25665 1 >> 109 -19491800.15620 . volume 25665 1 >> 110 -1265714.37500 . height 25665 1 >> 110 -26600579.62500 . volume 25665 1 >> 111 -2019011.12500 . height 25665 1 >> 111 -41635442.06250 . volume 25665 1 >> 112 -1420226.37500 . height 25665 1 >> 112 -31455668.00000 . volume 25665 1 >> 113 -2065864.50000 . height 25665 1 >> 113 -43498911.62500 . volume 25665 1 >> 114 -1298760.87500 . height 25665 1 >> 114 -27168271.68750 . volume 25665 1 >> 115 -3986788.00000 . height 25665 1 >> 115 -80719778.37500 . volume 25665 1 >> 116 -1219991.25000 . height 25665 1 >> 116 -25563429.12500 . volume 25665 1 >> 117 -1931195.12500 . height 25665 1 >> 117 -39864552.31250 . volume 25665 1 >> 118 -2743523.25000 . height 25665 1 >> 118 -56141216.00000 . volume 25665 1 >> 119 -1702952.37500 . height 25665 1 >> 119 -36383620.75000 . volume 25665 1 >> 120 -2777201.25000 . height 25665 1 >> 120 -57815803.00000 . volume 25665 1 >> 121 -3416234.25000 . height 25665 1 >> 121 -70739722.25000 . volume 25665 1 >> 122 -2335431.50000 . height 25665 1 >> 122 -48710423.06250 . volume 25665 1 >> 123 -1610631.87500 . height 25665 1 >> 123 -33530948.06250 . volume 25665 1 >> 124 -884103.62500 . height 25665 1 >> 124 -18983867.43750 . volume 25665 1 >> 125 -819255.43750 . height 25665 1 >> 125 -17736171.62500 . volume 25665 1 >> 126 -759500.93750 . height 25665 1 >> 126 -15855220.28120 . volume 25665 1 >> 127 -1188938.75000 . height 25665 1 >> 127 -24939095.68750 . volume 25665 1 >> 128 -1319612.37500 . height 25665 1 >> 128 -28142477.93750 . volume 25665 1 >> 129 -1571982.12500 . height 25665 1 >> 129 -32584466.43750 . volume 25665 1 >> 130 -951051.12500 . height 25665 1 >> 130 -18972313.96880 . volume 25665 1 >> 131 -3125191.50000 . height 25665 1 >> 131 -65043590.87500 . volume 25665 1 >> 132 -2003558.37500 . height 25665 1 >> 132 -41589751.75000 . volume 25665 1 >> 133 -2622338.75000 . height 25665 1 >> 133 -53652201.37500 . volume 25665 1 >> 134 -2047536.00000 . height 25665 1 >> 134 -43020688.25000 . volume 25665 1 >> 135 -699445.56250 . height 25665 1 >> 135 -14305366.03120 . volume 25665 1 >> 136 -286378.37500 . height 25665 1 >> 136 -6111876.79688 . volume 25665 1 >> 137 -370751.40625 . height 25665 1 >> 137 -7106997.43750 . volume 25665 1 >> 138 -422940.59375 . height 25665 1 >> 138 -11041979.23440 . volume 25665 1 >> 139 -285768.09375 . height 25665 1 >> 139 -5945183.43750 . volume 25665 1 >> 140 -277959.37500 . height 25665 1 >> 140 -5903332.90625 . volume 25665 1 >> 141 -266897.62500 . height 25665 1 >> 141 -5409634.89062 . volume 25665 1 >> 142 -388041.34375 . height 25665 1 >> 142 -8105231.07031 . volume 25665 1 >> 143 -325855.25000 . height 25665 1 >> 143 -6756591.37500 . volume 25665 1 >> 144 -1279254.50000 . height 25665 1 >> 144 -29644023.53120 . volume 25665 1 >> 145 -490361.00000 . height 25665 1 >> 145 -10085933.09380 . volume 25665 1 >> 146 -508623.50000 . height 25665 1 >> 146 -11059534.50000 . volume 25665 1 >> 147 -507536.84375 . height 25665 1 >> 147 -10104508.10940 . volume 25665 1 >> 148 -1731924.62500 . height 25665 1 >> 148 -36987527.06250 . volume 25665 1 >> 149 -4319427.50000 . height 25665 1 >> 149 -88069274.75000 . volume 25665 1 >> 150 -284695.53125 . height 25665 1 >> 150 -4932915.24219 . volume 25665 1 >> 151 -542720.00000 . height 25665 1 >> 151 -11143036.23440 . volume 25665 1 >> 152 -1569316.50000 . height 25665 1 >> 152 -32997096.25000 . volume 25665 1 >> 153 -1961730.50000 . height 25665 1 >> 153 -41284023.75000 . volume 25665 1 >> 154 -2975377.00000 . height 25665 1 >> 154 -59891858.37500 . volume 25665 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 7.797 . 28.6949097574 . . . . . . . . . . . 25665 1 >> 1 2 118.265 . 65.8746204953 . . . . . . . . . . . 25665 1 >> 1 3 38.878 . 166.3562978010 . . . . . . . . . . . 25665 1 >> 2 1 9.008 . 26.6766619889 . . . . . . . . . . . 25665 1 >> 2 2 122.060 . 69.5836106973 . . . . . . . . . . . 25665 1 >> 2 3 38.039 . 151.6737404700 . . . . . . . . . . . 25665 1 >> 3 1 7.624 . 25.7311546039 . . . . . . . . . . . 25665 1 >> 3 2 121.062 . 68.7572766066 . . . . . . . . . . . 25665 1 >> 3 3 39.247 . 148.6635337190 . . . . . . . . . . . 25665 1 >> 4 1 8.439 . 31.3463136304 . . . . . . . . . . . 25665 1 >> 4 2 118.506 . 66.9339121188 . . . . . . . . . . . 25665 1 >> 4 3 40.498 . 135.9997359020 . . . . . . . . . . . 25665 1 >> 5 1 7.735 . 22.7404627346 . . . . . . . . . . . 25665 1 >> 5 2 122.293 . 69.2958168793 . . . . . . . . . . . 25665 1 >> 5 3 39.264 . 135.2942263710 . . . . . . . . . . . 25665 1 >> 6 1 7.967 . 23.0394889374 . . . . . . . . . . . 25665 1 >> 6 2 122.195 . 67.5738492460 . . . . . . . . . . . 25665 1 >> 6 3 18.156 . 123.8581920070 . . . . . . . . . . . 25665 1 >> 7 1 8.293 . 25.9426364800 . . . . . . . . . . . 25665 1 >> 7 2 115.524 . 66.0675916256 . . . . . . . . . . . 25665 1 >> 7 3 37.190 . 128.1393967780 . . . . . . . . . . . 25665 1 >> 8 1 7.238 . 26.3933966305 . . . . . . . . . . . 25665 1 >> 8 2 119.814 . 68.4014208268 . . . . . . . . . . . 25665 1 >> 8 3 40.953 . 133.8021424960 . . . . . . . . . . . 25665 1 >> 9 1 7.722 . 21.1874464374 . . . . . . . . . . . 25665 1 >> 9 2 114.882 . 68.0831538123 . . . . . . . . . . . 25665 1 >> 9 3 62.186 . 131.7880503500 . . . . . . . . . . . 25665 1 >> 10 1 8.176 . 22.7282839003 . . . . . . . . . . . 25665 1 >> 10 2 113.344 . 68.7650109205 . . . . . . . . . . . 25665 1 >> 10 3 62.388 . 144.1720517340 . . . . . . . . . . . 25665 1 >> 11 1 8.463 . 24.2705541672 . . . . . . . . . . . 25665 1 >> 11 2 125.301 . 69.1648749460 . . . . . . . . . . . 25665 1 >> 11 3 18.202 . 115.5247291510 . . . . . . . . . . . 25665 1 >> 12 1 8.610 . 27.2585237089 . . . . . . . . . . . 25665 1 >> 12 2 124.277 . 71.7203695819 . . . . . . . . . . . 25665 1 >> 12 3 31.193 . 156.1475355860 . . . . . . . . . . . 25665 1 >> 13 1 9.952 . 23.9908349988 . . . . . . . . . . . 25665 1 >> 13 2 118.423 . 67.1217786020 . . . . . . . . . . . 25665 1 >> 13 3 27.785 . 129.7292497310 . . . . . . . . . . . 25665 1 >> 14 1 8.151 . 26.8503178383 . . . . . . . . . . . 25665 1 >> 14 2 121.453 . 67.1581298771 . . . . . . . . . . . 25665 1 >> 14 3 37.761 . 135.1178489890 . . . . . . . . . . . 25665 1 >> 15 1 8.685 . 24.0884447739 . . . . . . . . . . . 25665 1 >> 15 2 120.980 . 68.5359205445 . . . . . . . . . . . 25665 1 >> 15 3 39.250 . 141.5760124860 . . . . . . . . . . . 25665 1 >> 16 1 8.671 . 24.0569230851 . . . . . . . . . . . 25665 1 >> 16 2 121.001 . 66.5976241531 . . . . . . . . . . . 25665 1 >> 16 3 28.781 . 136.5278854460 . . . . . . . . . . . 25665 1 >> 17 1 8.479 . 31.6109525363 . . . . . . . . . . . 25665 1 >> 17 2 120.174 . 67.5734625303 . . . . . . . . . . . 25665 1 >> 17 3 37.546 . 147.4711440030 . . . . . . . . . . . 25665 1 >> 18 1 9.318 . 26.4971316429 . . . . . . . . . . . 25665 1 >> 18 2 115.402 . 68.7961028621 . . . . . . . . . . . 25665 1 >> 18 3 28.621 . 144.7503140720 . . . . . . . . . . . 25665 1 >> 19 1 8.593 . 35.6656446846 . . . . . . . . . . . 25665 1 >> 19 2 120.799 . 66.2327965692 . . . . . . . . . . . 25665 1 >> 19 3 39.998 . 167.2096892040 . . . . . . . . . . . 25665 1 >> 20 1 8.883 . 25.9698597567 . . . . . . . . . . . 25665 1 >> 20 2 119.818 . 68.4940779067 . . . . . . . . . . . 25665 1 >> 20 3 26.726 . 131.9420734960 . . . . . . . . . . . 25665 1 >> 21 1 8.516 . 24.9107310115 . . . . . . . . . . . 25665 1 >> 21 2 117.888 . 68.1203558619 . . . . . . . . . . . 25665 1 >> 21 3 36.701 . 130.7649141400 . . . . . . . . . . . 25665 1 >> 22 1 8.514 . 28.3209479033 . . . . . . . . . . . 25665 1 >> 22 2 117.821 . 68.4414072294 . . . . . . . . . . . 25665 1 >> 22 3 71.807 . 140.7918946510 . . . . . . . . . . . 25665 1 >> 23 1 7.906 . 24.1817203168 . . . . . . . . . . . 25665 1 >> 23 2 120.568 . 67.1003545527 . . . . . . . . . . . 25665 1 >> 23 3 17.485 . 123.1988648550 . . . . . . . . . . . 25665 1 >> 24 1 7.654 . 24.8869464645 . . . . . . . . . . . 25665 1 >> 24 2 124.470 . 70.0848715773 . . . . . . . . . . . 25665 1 >> 24 3 38.718 . 175.6866122150 . . . . . . . . . . . 25665 1 >> 25 1 8.838 . 25.2846928656 . . . . . . . . . . . 25665 1 >> 25 2 118.754 . 67.2176840936 . . . . . . . . . . . 25665 1 >> 25 3 32.433 . 142.2112658440 . . . . . . . . . . . 25665 1 >> 26 1 8.800 . 28.9198599914 . . . . . . . . . . . 25665 1 >> 26 2 115.781 . 66.8750539905 . . . . . . . . . . . 25665 1 >> 26 3 66.991 . 141.8034852660 . . . . . . . . . . . 25665 1 >> 27 1 8.550 . 27.6207365698 . . . . . . . . . . . 25665 1 >> 27 2 117.213 . 68.0587133806 . . . . . . . . . . . 25665 1 >> 27 3 33.580 . 146.3657147250 . . . . . . . . . . . 25665 1 >> 28 1 9.038 . 31.0631915524 . . . . . . . . . . . 25665 1 >> 28 2 109.470 . 64.3530489336 . . . . . . . . . . . 25665 1 >> 28 3 36.576 . 137.1370998040 . . . . . . . . . . . 25665 1 >> 29 1 6.678 . 29.7412865466 . . . . . . . . . . . 25665 1 >> 29 2 111.927 . 66.9725063449 . . . . . . . . . . . 25665 1 >> 29 3 32.938 . 151.3819071400 . . . . . . . . . . . 25665 1 >> 30 1 7.088 . 32.1317768043 . . . . . . . . . . . 25665 1 >> 30 2 126.605 . 68.9886099336 . . . . . . . . . . . 25665 1 >> 30 3 35.632 . 133.4739528260 . . . . . . . . . . . 25665 1 >> 31 1 7.736 . 22.0148907695 . . . . . . . . . . . 25665 1 >> 31 2 118.981 . 69.0193925027 . . . . . . . . . . . 25665 1 >> 31 3 28.889 . 144.6048887090 . . . . . . . . . . . 25665 1 >> 32 1 7.809 . 28.4615059795 . . . . . . . . . . . 25665 1 >> 32 2 121.145 . 73.4843345394 . . . . . . . . . . . 25665 1 >> 32 3 17.253 . 138.1206862110 . . . . . . . . . . . 25665 1 >> 33 1 7.438 . 25.9956502294 . . . . . . . . . . . 25665 1 >> 33 2 120.997 . 68.5337549367 . . . . . . . . . . . 25665 1 >> 33 3 30.144 . 148.9116411790 . . . . . . . . . . . 25665 1 >> 34 1 8.161 . 26.9231042835 . . . . . . . . . . . 25665 1 >> 34 2 119.923 . 70.5019057795 . . . . . . . . . . . 25665 1 >> 34 3 41.070 . 130.6622320430 . . . . . . . . . . . 25665 1 >> 35 1 7.499 . 34.7403398366 . . . . . . . . . . . 25665 1 >> 35 2 124.448 . 70.9123658150 . . . . . . . . . . . 25665 1 >> 35 3 31.969 . 132.5611138920 . . . . . . . . . . . 25665 1 >> 36 1 7.994 . 30.5306182913 . . . . . . . . . . . 25665 1 >> 36 2 124.035 . 67.3209371834 . . . . . . . . . . . 25665 1 >> 36 3 37.161 . 136.5524505410 . . . . . . . . . . . 25665 1 >> 37 1 7.951 . 24.0024765316 . . . . . . . . . . . 25665 1 >> 37 2 120.971 . 67.8524392305 . . . . . . . . . . . 25665 1 >> 37 3 39.704 . 133.8011598920 . . . . . . . . . . . 25665 1 >> 38 1 7.971 . 19.5003196822 . . . . . . . . . . . 25665 1 >> 38 2 120.857 . 73.1012539749 . . . . . . . . . . . 25665 1 >> 38 3 40.741 . 126.0921417540 . . . . . . . . . . . 25665 1 >> 39 1 7.787 . 32.8761185022 . . . . . . . . . . . 25665 1 >> 39 2 125.156 . 70.4822606224 . . . . . . . . . . . 25665 1 >> 39 3 28.886 . 144.9900694000 . . . . . . . . . . . 25665 1 >> 40 1 7.518 . 23.7834007941 . . . . . . . . . . . 25665 1 >> 40 2 121.581 . 66.0875461553 . . . . . . . . . . . 25665 1 >> 40 3 29.118 . 141.4576087270 . . . . . . . . . . . 25665 1 >> 41 1 8.168 . 24.3506479129 . . . . . . . . . . . 25665 1 >> 41 2 117.644 . 70.4789348674 . . . . . . . . . . . 25665 1 >> 41 3 68.638 . 148.0948517680 . . . . . . . . . . . 25665 1 >> 42 1 7.913 . 24.7352125168 . . . . . . . . . . . 25665 1 >> 42 2 118.502 . 71.7704879356 . . . . . . . . . . . 25665 1 >> 42 3 29.291 . 137.1400476160 . . . . . . . . . . . 25665 1 >> 43 1 8.333 . 21.8706074029 . . . . . . . . . . . 25665 1 >> 43 2 118.371 . 65.7995976511 . . . . . . . . . . . 25665 1 >> 43 3 61.635 . 88.7148756808 . . . . . . . . . . . 25665 1 >> 44 1 8.003 . 24.5244470428 . . . . . . . . . . . 25665 1 >> 44 2 116.649 . 68.8439009216 . . . . . . . . . . . 25665 1 >> 44 3 39.377 . 128.7918457030 . . . . . . . . . . . 25665 1 >> 45 1 8.757 . 30.2896206521 . . . . . . . . . . . 25665 1 >> 45 2 122.785 . 69.0651796406 . . . . . . . . . . . 25665 1 >> 45 3 37.251 . 140.0554331000 . . . . . . . . . . . 25665 1 >> 46 1 8.866 . 25.8262927921 . . . . . . . . . . . 25665 1 >> 46 2 121.244 . 68.7589781557 . . . . . . . . . . . 25665 1 >> 46 3 29.811 . 143.4493466370 . . . . . . . . . . . 25665 1 >> 47 1 8.727 . 28.4460316959 . . . . . . . . . . . 25665 1 >> 47 2 121.381 . 72.2913166296 . . . . . . . . . . . 25665 1 >> 47 3 39.730 . 138.5928273390 . . . . . . . . . . . 25665 1 >> 48 1 8.920 . 29.4929816067 . . . . . . . . . . . 25665 1 >> 48 2 123.982 . 67.8597094855 . . . . . . . . . . . 25665 1 >> 48 3 45.404 . 132.5547269680 . . . . . . . . . . . 25665 1 >> 49 1 9.199 . 43.8119953253 . . . . . . . . . . . 25665 1 >> 49 2 116.217 . 67.5717609812 . . . . . . . . . . . 25665 1 >> 49 3 38.220 . 133.1320067020 . . . . . . . . . . . 25665 1 >> 50 1 8.969 . 25.7043611684 . . . . . . . . . . . 25665 1 >> 50 2 118.093 . 69.7339657584 . . . . . . . . . . . 25665 1 >> 50 3 37.126 . 136.1407395480 . . . . . . . . . . . 25665 1 >> 51 1 8.505 . 28.4911650231 . . . . . . . . . . . 25665 1 >> 51 2 119.444 . 69.3117495658 . . . . . . . . . . . 25665 1 >> 51 3 41.090 . 129.8496186970 . . . . . . . . . . . 25665 1 >> 52 1 8.617 . 27.8597282834 . . . . . . . . . . . 25665 1 >> 52 2 120.119 . 70.5268102701 . . . . . . . . . . . 25665 1 >> 52 3 37.626 . 127.8603372980 . . . . . . . . . . . 25665 1 >> 53 1 7.716 . 28.4288380474 . . . . . . . . . . . 25665 1 >> 53 2 117.395 . 68.4846420438 . . . . . . . . . . . 25665 1 >> 53 3 33.275 . 144.4574981390 . . . . . . . . . . . 25665 1 >> 54 1 7.688 . 25.1086012493 . . . . . . . . . . . 25665 1 >> 54 2 115.007 . 67.9674484773 . . . . . . . . . . . 25665 1 >> 54 3 31.101 . 144.6638449370 . . . . . . . . . . . 25665 1 >> 55 1 7.659 . 24.3161173356 . . . . . . . . . . . 25665 1 >> 55 2 113.816 . 68.4817803476 . . . . . . . . . . . 25665 1 >> 55 3 63.238 . 130.2166212180 . . . . . . . . . . . 25665 1 >> 56 1 8.703 . 21.9337940610 . . . . . . . . . . . 25665 1 >> 56 2 129.947 . 66.2675043026 . . . . . . . . . . . 25665 1 >> 56 3 41.113 . 124.8938564160 . . . . . . . . . . . 25665 1 >> 57 1 7.670 . 29.2713268220 . . . . . . . . . . . 25665 1 >> 57 2 123.500 . 65.0697877971 . . . . . . . . . . . 25665 1 >> 57 3 29.041 . 135.5521598700 . . . . . . . . . . . 25665 1 >> 58 1 7.141 . 24.3613939432 . . . . . . . . . . . 25665 1 >> 58 2 122.016 . 65.9050936918 . . . . . . . . . . . 25665 1 >> 58 3 32.702 . 144.6903752400 . . . . . . . . . . . 25665 1 >> 59 1 6.293 . 22.4669404437 . . . . . . . . . . . 25665 1 >> 59 2 120.885 . 69.5911129817 . . . . . . . . . . . 25665 1 >> 59 3 67.383 . 138.6468705480 . . . . . . . . . . . 25665 1 >> 60 1 6.685 . 27.8456868038 . . . . . . . . . . . 25665 1 >> 60 2 119.773 . 66.9111732361 . . . . . . . . . . . 25665 1 >> 60 3 41.456 . 137.3817681510 . . . . . . . . . . . 25665 1 >> 61 1 7.007 . 25.4116393034 . . . . . . . . . . . 25665 1 >> 61 2 120.119 . 69.9960816544 . . . . . . . . . . . 25665 1 >> 61 3 31.787 . 137.1999864480 . . . . . . . . . . . 25665 1 >> 62 1 6.333 . 28.1084630644 . . . . . . . . . . . 25665 1 >> 62 2 125.749 . 66.6120873200 . . . . . . . . . . . 25665 1 >> 62 3 26.357 . 139.0571076360 . . . . . . . . . . . 25665 1 >> 63 1 7.355 . 31.5053548787 . . . . . . . . . . . 25665 1 >> 63 2 119.769 . 70.1226923720 . . . . . . . . . . . 25665 1 >> 63 3 41.322 . 142.9452708860 . . . . . . . . . . . 25665 1 >> 64 1 7.432 . 24.9646044434 . . . . . . . . . . . 25665 1 >> 64 2 120.623 . 71.5096868729 . . . . . . . . . . . 25665 1 >> 64 3 33.041 . 139.1848461300 . . . . . . . . . . . 25665 1 >> 65 1 9.167 . 22.9972212183 . . . . . . . . . . . 25665 1 >> 65 2 117.878 . 70.0746622830 . . . . . . . . . . . 25665 1 >> 65 3 37.955 . 135.1384836680 . . . . . . . . . . . 25665 1 >> 66 1 7.380 . 22.9956451338 . . . . . . . . . . . 25665 1 >> 66 2 117.995 . 67.3630891938 . . . . . . . . . . . 25665 1 >> 66 3 38.128 . 126.3392666100 . . . . . . . . . . . 25665 1 >> 67 1 7.513 . 28.2027415702 . . . . . . . . . . . 25665 1 >> 67 2 115.394 . 69.5158581081 . . . . . . . . . . . 25665 1 >> 67 3 70.046 . 135.3743085810 . . . . . . . . . . . 25665 1 >> 68 1 9.168 . 31.9493808502 . . . . . . . . . . . 25665 1 >> 68 2 121.321 . 69.6805989929 . . . . . . . . . . . 25665 1 >> 68 3 31.007 . 139.7577041480 . . . . . . . . . . . 25665 1 >> 69 1 9.553 . 30.7085009127 . . . . . . . . . . . 25665 1 >> 69 2 128.832 . 70.0789934988 . . . . . . . . . . . 25665 1 >> 69 3 40.459 . 118.6071572820 . . . . . . . . . . . 25665 1 >> 70 1 8.967 . 33.6479700377 . . . . . . . . . . . 25665 1 >> 70 2 127.750 . 68.0710882827 . . . . . . . . . . . 25665 1 >> 70 3 36.291 . 140.8542899920 . . . . . . . . . . . 25665 1 >> 71 1 8.146 . 19.9807388762 . . . . . . . . . . . 25665 1 >> 71 2 131.086 . 72.4132287515 . . . . . . . . . . . 25665 1 >> 71 3 18.447 . 118.9068514420 . . . . . . . . . . . 25665 1 >> 72 1 8.317 . 25.1660566912 . . . . . . . . . . . 25665 1 >> 72 2 132.342 . 78.5865066934 . . . . . . . . . . . 25665 1 >> 72 3 44.163 . 142.7595587670 . . . . . . . . . . . 25665 1 >> 73 1 8.535 . 22.9065247226 . . . . . . . . . . . 25665 1 >> 73 2 126.631 . 78.1961945455 . . . . . . . . . . . 25665 1 >> 73 3 32.266 . 215.4358838680 . . . . . . . . . . . 25665 1 >> 74 1 8.529 . 33.7150252667 . . . . . . . . . . . 25665 1 >> 74 2 122.844 . 72.4392740533 . . . . . . . . . . . 25665 1 >> 74 3 32.013 . 137.2550122610 . . . . . . . . . . . 25665 1 >> 75 1 8.118 . 31.3263976543 . . . . . . . . . . . 25665 1 >> 75 2 123.412 . 73.1280920439 . . . . . . . . . . . 25665 1 >> 75 3 38.071 . 130.7383838370 . . . . . . . . . . . 25665 1 >> 76 1 8.087 . 20.9344132442 . . . . . . . . . . . 25665 1 >> 76 2 121.939 . 74.5565424670 . . . . . . . . . . . 25665 1 >> 76 3 40.797 . 113.3688964070 . . . . . . . . . . . 25665 1 >> 77 1 7.804 . 58.0036327648 . . . . . . . . . . . 25665 1 >> 77 2 118.734 . 70.3646217089 . . . . . . . . . . . 25665 1 >> 77 3 36.787 . 135.7624370840 . . . . . . . . . . . 25665 1 >> 78 1 8.007 . 24.6195852309 . . . . . . . . . . . 25665 1 >> 78 2 119.772 . 69.6088245604 . . . . . . . . . . . 25665 1 >> 78 3 32.829 . 147.6480126880 . . . . . . . . . . . 25665 1 >> 79 1 7.798 . 26.8186528691 . . . . . . . . . . . 25665 1 >> 79 2 119.608 . 69.7455672291 . . . . . . . . . . . 25665 1 >> 79 3 32.487 . 142.5610727980 . . . . . . . . . . . 25665 1 >> 80 1 8.165 . 24.1241215945 . . . . . . . . . . . 25665 1 >> 80 2 121.439 . 74.6040311540 . . . . . . . . . . . 25665 1 >> 80 3 40.744 . 120.5178303780 . . . . . . . . . . . 25665 1 >> 81 1 7.875 . 24.8388042488 . . . . . . . . . . . 25665 1 >> 81 2 120.191 . 68.3089184333 . . . . . . . . . . . 25665 1 >> 81 3 37.140 . 137.9723130370 . . . . . . . . . . . 25665 1 >> 82 1 7.939 . 18.5734387497 . . . . . . . . . . . 25665 1 >> 82 2 121.177 . 71.2091314371 . . . . . . . . . . . 25665 1 >> 82 3 38.696 . 136.1132266410 . . . . . . . . . . . 25665 1 >> 83 1 7.820 . 39.1593940518 . . . . . . . . . . . 25665 1 >> 83 2 117.078 . 79.8266265745 . . . . . . . . . . . 25665 1 >> 83 3 39.095 . 132.9905117550 . . . . . . . . . . . 25665 1 >> 84 1 8.947 . 27.3264386203 . . . . . . . . . . . 25665 1 >> 84 2 117.688 . 67.3295996149 . . . . . . . . . . . 25665 1 >> 84 3 71.360 . 139.9053403690 . . . . . . . . . . . 25665 1 >> 85 1 8.241 . 24.9565807408 . . . . . . . . . . . 25665 1 >> 85 2 117.216 . 66.4096029836 . . . . . . . . . . . 25665 1 >> 85 3 64.679 . 127.1012758600 . . . . . . . . . . . 25665 1 >> 86 1 8.516 . 24.8949701671 . . . . . . . . . . . 25665 1 >> 86 2 126.117 . 70.7276317290 . . . . . . . . . . . 25665 1 >> 86 3 67.785 . 148.7969221850 . . . . . . . . . . . 25665 1 >> 87 1 8.977 . 32.7514645509 . . . . . . . . . . . 25665 1 >> 87 2 123.640 . 71.2269203589 . . . . . . . . . . . 25665 1 >> 87 3 68.829 . 145.9215778060 . . . . . . . . . . . 25665 1 >> 88 1 7.882 . 34.2288287949 . . . . . . . . . . . 25665 1 >> 88 2 118.159 . 67.7170113951 . . . . . . . . . . . 25665 1 >> 88 3 64.111 . 135.4607777160 . . . . . . . . . . . 25665 1 >> 89 1 9.136 . 32.7769684627 . . . . . . . . . . . 25665 1 >> 89 2 128.820 . 70.8898202902 . . . . . . . . . . . 25665 1 >> 89 3 23.491 . 109.2802819810 . . . . . . . . . . . 25665 1 >> 90 1 8.484 . 27.6684489442 . . . . . . . . . . . 25665 1 >> 90 2 126.698 . 65.6036488099 . . . . . . . . . . . 25665 1 >> 90 3 40.651 . 144.8751047550 . . . . . . . . . . . 25665 1 >> 91 1 7.703 . 26.5471365038 . . . . . . . . . . . 25665 1 >> 91 2 117.756 . 67.9794366637 . . . . . . . . . . . 25665 1 >> 91 3 35.204 . 127.5144607590 . . . . . . . . . . . 25665 1 >> 92 1 7.425 . 29.5805259335 . . . . . . . . . . . 25665 1 >> 92 2 116.038 . 68.7442829594 . . . . . . . . . . . 25665 1 >> 92 3 39.664 . 137.1572431820 . . . . . . . . . . . 25665 1 >> 93 1 8.038 . 29.9729709596 . . . . . . . . . . . 25665 1 >> 93 2 115.777 . 63.7061509240 . . . . . . . . . . . 25665 1 >> 93 3 37.776 . 171.4211291040 . . . . . . . . . . . 25665 1 >> 94 1 8.524 . 22.6765596745 . . . . . . . . . . . 25665 1 >> 94 2 122.960 . 67.6226527663 . . . . . . . . . . . 25665 1 >> 94 3 35.781 . 161.7876814170 . . . . . . . . . . . 25665 1 >> 95 1 8.051 . 37.1791155903 . . . . . . . . . . . 25665 1 >> 95 2 110.075 . 71.3891089201 . . . . . . . . . . . 25665 1 >> 95 3 71.698 . 137.7309609780 . . . . . . . . . . . 25665 1 >> 96 1 9.068 . 27.6797680962 . . . . . . . . . . . 25665 1 >> 96 2 125.005 . 68.2999466293 . . . . . . . . . . . 25665 1 >> 96 3 33.903 . 149.7596282610 . . . . . . . . . . . 25665 1 >> 97 1 8.459 . 32.9153773329 . . . . . . . . . . . 25665 1 >> 97 2 118.747 . 66.5416277209 . . . . . . . . . . . 25665 1 >> 97 3 42.118 . 130.6204713810 . . . . . . . . . . . 25665 1 >> 98 1 8.045 . 26.2761932601 . . . . . . . . . . . 25665 1 >> 98 2 123.612 . 73.4164272639 . . . . . . . . . . . 25665 1 >> 98 3 32.555 . 127.2088709760 . . . . . . . . . . . 25665 1 >> 99 1 7.545 . 22.5721082601 . . . . . . . . . . . 25665 1 >> 99 2 123.347 . 70.1121737051 . . . . . . . . . . . 25665 1 >> 99 3 62.344 . 132.9959160750 . . . . . . . . . . . 25665 1 >> 100 1 9.133 . 31.7897664803 . . . . . . . . . . . 25665 1 >> 100 2 129.449 . 66.9957866296 . . . . . . . . . . . 25665 1 >> 100 3 40.377 . 154.4623700640 . . . . . . . . . . . 25665 1 >> 101 1 8.658 . 24.9418228592 . . . . . . . . . . . 25665 1 >> 101 2 123.434 . 67.0388667576 . . . . . . . . . . . 25665 1 >> 101 3 42.091 . 140.9535329760 . . . . . . . . . . . 25665 1 >> 102 1 7.912 . 25.9937875842 . . . . . . . . . . . 25665 1 >> 102 2 119.634 . 76.6093067033 . . . . . . . . . . . 25665 1 >> 102 3 28.951 . 140.1360066120 . . . . . . . . . . . 25665 1 >> 103 1 7.590 . 25.3804041753 . . . . . . . . . . . 25665 1 >> 103 2 119.763 . 66.6972421153 . . . . . . . . . . . 25665 1 >> 103 3 61.856 . 135.0593840620 . . . . . . . . . . . 25665 1 >> 104 1 8.208 . 23.3863707951 . . . . . . . . . . . 25665 1 >> 104 2 124.140 . 70.1343711858 . . . . . . . . . . . 25665 1 >> 104 3 41.621 . 123.2701036310 . . . . . . . . . . . 25665 1 >> 105 1 8.857 . 29.4373888101 . . . . . . . . . . . 25665 1 >> 105 2 118.671 . 69.8116956124 . . . . . . . . . . . 25665 1 >> 105 3 41.719 . 129.6653804840 . . . . . . . . . . . 25665 1 >> 106 1 7.665 . 24.1476195807 . . . . . . . . . . . 25665 1 >> 106 2 122.334 . 70.2827153253 . . . . . . . . . . . 25665 1 >> 106 3 38.353 . 139.5415313110 . . . . . . . . . . . 25665 1 >> 107 1 8.721 . 29.2614404741 . . . . . . . . . . . 25665 1 >> 107 2 114.593 . 67.7795046510 . . . . . . . . . . . 25665 1 >> 107 3 66.983 . 137.3785746890 . . . . . . . . . . . 25665 1 >> 108 1 7.846 . 25.3885711584 . . . . . . . . . . . 25665 1 >> 108 2 119.036 . 69.1585328087 . . . . . . . . . . . 25665 1 >> 108 3 36.619 . 124.2797290380 . . . . . . . . . . . 25665 1 >> 109 1 9.056 . 32.8153676110 . . . . . . . . . . . 25665 1 >> 109 2 129.336 . 70.3540063631 . . . . . . . . . . . 25665 1 >> 109 3 31.257 . 161.1666758130 . . . . . . . . . . . 25665 1 >> 110 1 8.595 . 35.2879575400 . . . . . . . . . . . 25665 1 >> 110 2 123.643 . 70.3414187673 . . . . . . . . . . . 25665 1 >> 110 3 42.601 . 142.9693446790 . . . . . . . . . . . 25665 1 >> 111 1 8.177 . 29.7898586035 . . . . . . . . . . . 25665 1 >> 111 2 122.160 . 68.0682265866 . . . . . . . . . . . 25665 1 >> 111 3 63.172 . 130.9909130150 . . . . . . . . . . . 25665 1 >> 112 1 9.052 . 33.0318643012 . . . . . . . . . . . 25665 1 >> 112 2 129.885 . 86.9332041675 . . . . . . . . . . . 25665 1 >> 112 3 42.785 . 151.0375045070 . . . . . . . . . . . 25665 1 >> 113 1 7.672 . 27.9393921879 . . . . . . . . . . . 25665 1 >> 113 2 120.133 . 69.6560812180 . . . . . . . . . . . 25665 1 >> 113 3 45.297 . 144.5272630090 . . . . . . . . . . . 25665 1 >> 114 1 9.073 . 38.3666235773 . . . . . . . . . . . 25665 1 >> 114 2 116.318 . 72.0779269107 . . . . . . . . . . . 25665 1 >> 114 3 42.407 . 136.8152970590 . . . . . . . . . . . 25665 1 >> 115 1 8.312 . 26.3611585396 . . . . . . . . . . . 25665 1 >> 115 2 121.535 . 68.5018895636 . . . . . . . . . . . 25665 1 >> 115 3 20.432 . 118.7132784930 . . . . . . . . . . . 25665 1 >> 116 1 8.281 . 26.0733082083 . . . . . . . . . . . 25665 1 >> 116 2 129.714 . 67.7447195745 . . . . . . . . . . . 25665 1 >> 116 3 42.941 . 145.4430497530 . . . . . . . . . . . 25665 1 >> 117 1 7.564 . 24.3278663287 . . . . . . . . . . . 25665 1 >> 117 2 118.076 . 70.3411093948 . . . . . . . . . . . 25665 1 >> 117 3 34.745 . 133.6635953600 . . . . . . . . . . . 25665 1 >> 118 1 8.751 . 26.7703673730 . . . . . . . . . . . 25665 1 >> 118 2 128.007 . 65.9682056928 . . . . . . . . . . . 25665 1 >> 118 3 44.734 . 132.8725992980 . . . . . . . . . . . 25665 1 >> 119 1 9.101 . 27.3715719475 . . . . . . . . . . . 25665 1 >> 119 2 125.880 . 70.7820812984 . . . . . . . . . . . 25665 1 >> 119 3 40.337 . 150.1674088400 . . . . . . . . . . . 25665 1 >> 120 1 6.884 . 28.6775728285 . . . . . . . . . . . 25665 1 >> 120 2 115.781 . 67.1182208176 . . . . . . . . . . . 25665 1 >> 120 3 38.571 . 140.9240548620 . . . . . . . . . . . 25665 1 >> 121 1 8.092 . 26.8963108480 . . . . . . . . . . . 25665 1 >> 121 2 118.202 . 67.3199317226 . . . . . . . . . . . 25665 1 >> 121 3 36.247 . 150.7707275750 . . . . . . . . . . . 25665 1 >> 122 1 8.991 . 27.3053764009 . . . . . . . . . . . 25665 1 >> 122 2 119.625 . 71.3397639978 . . . . . . . . . . . 25665 1 >> 122 3 39.729 . 134.8333851880 . . . . . . . . . . . 25665 1 >> 123 1 8.362 . 26.0720186847 . . . . . . . . . . . 25665 1 >> 123 2 116.772 . 67.8153918672 . . . . . . . . . . . 25665 1 >> 123 3 44.330 . 141.2714053070 . . . . . . . . . . . 25665 1 >> 124 1 7.967 . 48.8811127327 . . . . . . . . . . . 25665 1 >> 124 2 124.189 . 72.8372818435 . . . . . . . . . . . 25665 1 >> 124 3 39.562 . 148.2601748570 . . . . . . . . . . . 25665 1 >> 125 1 7.442 . 34.0677816209 . . . . . . . . . . . 25665 1 >> 125 2 117.954 . 66.1463269405 . . . . . . . . . . . 25665 1 >> 125 3 40.000 . 171.8554399860 . . . . . . . . . . . 25665 1 >> 126 1 9.753 . 30.3750157728 . . . . . . . . . . . 25665 1 >> 126 2 131.095 . 66.4430152194 . . . . . . . . . . . 25665 1 >> 126 3 38.535 . 158.5706365650 . . . . . . . . . . . 25665 1 >> 127 1 8.335 . 29.6278084668 . . . . . . . . . . . 25665 1 >> 127 2 123.953 . 73.9680385269 . . . . . . . . . . . 25665 1 >> 127 3 30.063 . 132.1739679940 . . . . . . . . . . . 25665 1 >> 128 1 8.979 . 34.1761016062 . . . . . . . . . . . 25665 1 >> 128 2 118.669 . 71.6612794242 . . . . . . . . . . . 25665 1 >> 128 3 35.644 . 140.4484746210 . . . . . . . . . . . 25665 1 >> 129 1 8.753 . 27.6799113766 . . . . . . . . . . . 25665 1 >> 129 2 128.837 . 70.2736275065 . . . . . . . . . . . 25665 1 >> 129 3 35.682 . 131.4556846140 . . . . . . . . . . . 25665 1 >> 130 1 7.264 . 31.8523800168 . . . . . . . . . . . 25665 1 >> 130 2 122.049 . 66.6942257329 . . . . . . . . . . . 25665 1 >> 130 3 19.380 . 117.1922078050 . . . . . . . . . . . 25665 1 >> 131 1 8.475 . 25.6778542937 . . . . . . . . . . . 25665 1 >> 131 2 120.446 . 69.5708490795 . . . . . . . . . . . 25665 1 >> 131 3 32.916 . 136.1073310190 . . . . . . . . . . . 25665 1 >> 132 1 8.058 . 30.2324517710 . . . . . . . . . . . 25665 1 >> 132 2 122.488 . 66.6803039680 . . . . . . . . . . . 25665 1 >> 132 3 35.090 . 134.3553484370 . . . . . . . . . . . 25665 1 >> 133 1 7.981 . 21.7698812790 . . . . . . . . . . . 25665 1 >> 133 2 121.642 . 70.4061549742 . . . . . . . . . . . 25665 1 >> 133 3 37.217 . 134.6766598810 . . . . . . . . . . . 25665 1 >> 134 1 7.377 . 26.9633660770 . . . . . . . . . . . 25665 1 >> 134 2 117.298 . 69.7608811705 . . . . . . . . . . . 25665 1 >> 134 3 39.718 . 142.5959552330 . . . . . . . . . . . 25665 1 >> 135 1 8.409 . 27.9428309176 . . . . . . . . . . . 25665 1 >> 135 2 125.348 . 68.4808135584 . . . . . . . . . . . 25665 1 >> 135 3 69.391 . 134.9085543790 . . . . . . . . . . . 25665 1 >> 136 1 8.753 . 17.9934396750 . . . . . . . . . . . 25665 1 >> 136 2 129.754 . 84.7252895956 . . . . . . . . . . . 25665 1 >> 136 3 33.121 . 155.4823128120 . . . . . . . . . . . 25665 1 >> 137 1 8.729 . 14.7236375790 . . . . . . . . . . . 25665 1 >> 137 2 131.286 . 77.4170591050 . . . . . . . . . . . 25665 1 >> 137 3 47.476 . 101.0047927500 . . . . . . . . . . . 25665 1 >> 138 1 8.417 . 51.4289248738 . . . . . . . . . . . 25665 1 >> 138 2 118.073 . 101.2545430680 . . . . . . . . . . . 25665 1 >> 138 3 40.413 . 164.8745312650 . . . . . . . . . . . 25665 1 >> 139 1 8.582 . 58.3518041461 . . . . . . . . . . . 25665 1 >> 139 2 118.244 . 54.6517443977 . . . . . . . . . . . 25665 1 >> 139 3 68.605 . 236.2717518660 . . . . . . . . . . . 25665 1 >> 140 1 9.006 . 17.9372737567 . . . . . . . . . . . 25665 1 >> 140 2 120.363 . 66.2001577648 . . . . . . . . . . . 25665 1 >> 140 3 33.812 . 217.7734983160 . . . . . . . . . . . 25665 1 >> 141 1 7.565 . 20.8604805558 . . . . . . . . . . . 25665 1 >> 141 2 128.980 . 63.5331343234 . . . . . . . . . . . 25665 1 >> 141 3 41.248 . 139.5941006140 . . . . . . . . . . . 25665 1 >> 142 1 9.349 . 45.4323534123 . . . . . . . . . . . 25665 1 >> 142 2 131.579 . 63.1572466707 . . . . . . . . . . . 25665 1 >> 142 3 32.360 . 153.0710030780 . . . . . . . . . . . 25665 1 >> 143 1 7.182 . 20.4403824118 . . . . . . . . . . . 25665 1 >> 143 2 113.165 . 67.9007786920 . . . . . . . . . . . 25665 1 >> 143 3 40.116 . 145.9412298820 . . . . . . . . . . . 25665 1 >> 144 1 7.978 . 32.9211085490 . . . . . . . . . . . 25665 1 >> 144 2 120.356 . 87.0315266322 . . . . . . . . . . . 25665 1 >> 144 3 41.497 . 221.2548635910 . . . . . . . . . . . 25665 1 >> 145 1 7.607 . 38.3581700335 . . . . . . . . . . . 25665 1 >> 145 2 120.791 . 61.1008473070 . . . . . . . . . . . 25665 1 >> 145 3 28.261 . 171.1705651350 . . . . . . . . . . . 25665 1 >> 146 1 8.834 . 18.6700097419 . . . . . . . . . . . 25665 1 >> 146 2 127.257 . 73.3539340080 . . . . . . . . . . . 25665 1 >> 146 3 29.850 . 197.3422174350 . . . . . . . . . . . 25665 1 >> 147 1 6.130 . 23.6971459910 . . . . . . . . . . . 25665 1 >> 147 2 109.452 . 60.6026801525 . . . . . . . . . . . 25665 1 >> 147 3 61.596 . 129.6302523980 . . . . . . . . . . . 25665 1 >> 148 1 8.465 . 31.3968916130 . . . . . . . . . . . 25665 1 >> 148 2 128.316 . 67.6675117866 . . . . . . . . . . . 25665 1 >> 148 3 38.173 . 157.9614222070 . . . . . . . . . . . 25665 1 >> 149 1 8.582 . 22.9914900021 . . . . . . . . . . . 25665 1 >> 149 2 120.757 . 67.0483799637 . . . . . . . . . . . 25665 1 >> 149 3 37.083 . 128.9382536700 . . . . . . . . . . . 25665 1 >> 150 1 8.399 . 15.3694023591 . . . . . . . . . . . 25665 1 >> 150 2 124.528 . 65.4356981849 . . . . . . . . . . . 25665 1 >> 150 3 35.864 . 92.9051895998 . . . . . . . . . . . 25665 1 >> 151 1 6.984 . 32.8986135256 . . . . . . . . . . . 25665 1 >> 151 2 113.198 . 73.1447981618 . . . . . . . . . . . 25665 1 >> 151 3 21.495 . 144.0624914100 . . . . . . . . . . . 25665 1 >> 152 1 7.681 . 25.3150683112 . . . . . . . . . . . 25665 1 >> 152 2 125.467 . 67.7907967492 . . . . . . . . . . . 25665 1 >> 152 3 36.998 . 156.2497263820 . . . . . . . . . . . 25665 1 >> 153 1 7.559 . 33.0341567876 . . . . . . . . . . . 25665 1 >> 153 2 105.203 . 67.6832897868 . . . . . . . . . . . 25665 1 >> 153 3 68.096 . 142.6770200470 . . . . . . . . . . . 25665 1 >> 154 1 8.035 . 23.0664256533 . . . . . . . . . . . 25665 1 >> 154 2 124.116 . 70.4664052790 . . . . . . . . . . . 25665 1 >> 154 3 17.988 . 119.2871191140 . . . . . . . . . . . 25665 1 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Peak_contribution_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.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.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_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 . . 7.797 . 1 1 1 46 ILE H . . . . . . 197 . 25665 1 >> 1 2 . 1 . . 118.265 . 1 1 1 46 ILE N . . . . . . 198 . 25665 1 >> 1 3 . 1 . . 38.878 . 1 1 1 46 ILE CB . . . . . . 539 . 25665 1 >> 2 1 . 1 . . 9.008 . 1 1 1 51 ILE H . . . . . . 147 . 25665 1 >> 2 2 . 1 . . 122.060 . 1 1 1 51 ILE N . . . . . . 148 . 25665 1 >> 2 3 . 1 . . 38.039 . 1 1 1 51 ILE CB . . . . . . 487 . 25665 1 >> 3 1 . 1 . . 7.624 . 1 1 1 34 ASP H . . . . . . 58 . 25665 1 >> 3 2 . 1 . . 121.062 . 1 1 1 34 ASP N . . . . . . 59 . 25665 1 >> 3 3 . 2 . . 39.247 . 1 1 1 34 ASP CB . . . . . . 335 . 25665 1 >> 4 1 . 1 . . 8.439 . 1 1 1 74 LEU H . . . . . . 63 . 25665 1 >> 4 2 . 1 . . 118.506 . 1 1 1 74 LEU N . . . . . . 64 . 25665 1 >> 4 3 . 1 . . 40.498 . 1 1 1 74 LEU CB . . . . . . 397 . 25665 1 >> 5 1 . 1 . . 7.735 . 1 1 1 114 PHE H . . . . . . 129 . 25665 1 >> 5 2 . 1 . . 122.293 . 1 1 1 114 PHE N . . . . . . 130 . 25665 1 >> 5 3 . 1 . . 39.264 . 1 1 1 114 PHE CB . . . . . . 467 . 25665 1 >> 6 1 . 1 . . 7.967 . 1 1 1 113 ALA H . . . . . . 143 . 25665 1 >> 6 2 . 1 . . 122.195 . 1 1 1 113 ALA N . . . . . . 144 . 25665 1 >> 6 3 . 1 . . 18.156 . 1 1 1 113 ALA CB . . . . . . 481 . 25665 1 >> 7 1 . 1 . . 8.293 . 1 1 1 30 ASN H . . . . . . 175 . 25665 1 >> 7 2 . 1 . . 115.524 . 1 1 1 30 ASN N . . . . . . 176 . 25665 1 >> 7 3 . 1 . . 37.190 . 1 1 1 30 ASN CB . . . . . . 518 . 25665 1 >> 8 1 . 1 . . 7.238 . 1 1 1 63 LEU H . . . . . . 49 . 25665 1 >> 8 2 . 1 . . 119.814 . 1 1 1 63 LEU N . . . . . . 50 . 25665 1 >> 8 3 . 1 . . 40.953 . 1 1 1 63 LEU CB . . . . . . 386 . 25665 1 >> 9 1 . 1 . . 7.722 . 1 1 1 65 SER H . . . . . . 219 . 25665 1 >> 9 2 . 1 . . 114.882 . 1 1 1 65 SER N . . . . . . 220 . 25665 1 >> 9 3 . 1 . . 62.186 . 1 1 1 65 SER CB . . . . . . 565 . 25665 1 >> 10 1 . 1 . . 8.176 . 1 1 1 116 SER H . . . . . . 8 . 25665 1 >> 10 2 . 1 . . 113.344 . 1 1 1 116 SER N . . . . . . 9 . 25665 1 >> 10 3 . 1 . . 62.388 . 1 1 1 116 SER CB . . . . . . 346 . 25665 1 >> 11 1 . 1 . . 8.463 . 1 1 1 73 ALA H . . . . . . 230 . 25665 1 >> 11 2 . 1 . . 125.301 . 1 1 1 73 ALA N . . . . . . 231 . 25665 1 >> 11 3 . 1 . . 18.202 . 1 1 1 73 ALA CB . . . . . . 576 . 25665 1 >> 12 1 . 1 . . 8.610 . 1 1 1 35 VAL H . . . . . . 87 . 25665 1 >> 12 2 . 1 . . 124.277 . 1 1 1 35 VAL N . . . . . . 88 . 25665 1 >> 12 3 . 1 . . 31.193 . 1 1 1 35 VAL CB . . . . . . 421 . 25665 1 >> 13 1 . 1 . . 9.952 . 1 1 1 109 GLU H . . . . . . 780 . 25665 1 >> 13 2 . 1 . . 118.423 . 1 1 1 109 GLU N . . . . . . 781 . 25665 1 >> 13 3 . 1 . . 27.785 . 1 1 1 109 GLU CB . . . . . . 784 . 25665 1 >> 14 1 . 1 . . 8.151 . 1 1 1 38 TYR H . . . . . . 101 . 25665 1 >> 14 2 . 1 . . 121.453 . 1 1 1 38 TYR N . . . . . . 102 . 25665 1 >> 14 3 . 1 . . 37.761 . 1 1 1 38 TYR CB . . . . . . 439 . 25665 1 >> 15 1 . 1 . . 8.685 . 1 1 1 64 ASP H . . . . . . 254 . 25665 1 >> 15 2 . 1 . . 120.980 . 1 1 1 64 ASP N . . . . . . 255 . 25665 1 >> 15 3 . 1 . . 39.250 . 1 1 1 64 ASP CB . . . . . . 596 . 25665 1 >> 16 1 . 1 . . 8.671 . 1 1 1 119 GLU H . . . . . . 69 . 25665 1 >> 16 2 . 1 . . 121.001 . 1 1 1 119 GLU N . . . . . . 70 . 25665 1 >> 16 3 . 1 . . 28.781 . 1 1 1 119 GLU CB . . . . . . 405 . 25665 1 >> 17 1 . 1 . . 8.479 . 1 1 1 67 ILE H . . . . . . 117 . 25665 1 >> 17 2 . 1 . . 120.174 . 1 1 1 67 ILE N . . . . . . 118 . 25665 1 >> 17 3 . 1 . . 37.546 . 1 1 1 67 ILE CB . . . . . . 454 . 25665 1 >> 18 1 . 1 . . 9.318 . 1 1 1 102 GLU H . . . . . . 280 . 25665 1 >> 18 2 . 1 . . 115.402 . 1 1 1 102 GLU N . . . . . . 281 . 25665 1 >> 18 3 . 1 . . 28.621 . 1 1 1 102 GLU CB . . . . . . 620 . 25665 1 >> 19 1 . 1 . . 8.593 . 1 1 1 198 ILE H . . . . . . 45 . 25665 1 >> 19 2 . 1 . . 120.799 . 1 1 1 198 ILE N . . . . . . 46 . 25665 1 >> 19 3 . 1 . . 39.998 . 1 1 1 198 ILE CB . . . . . . 693 . 25665 1 >> 20 1 . 1 . . 8.883 . 1 1 1 92 GLN H . . . . . . 292 . 25665 1 >> 20 2 . 1 . . 119.818 . 1 1 1 92 GLN N . . . . . . 293 . 25665 1 >> 20 3 . 1 . . 26.726 . 1 1 1 92 GLN CB . . . . . . 631 . 25665 1 >> 21 1 . 3 . . 8.516 . 1 1 1 72 ASN H . . . . . . 155 . 25665 1 >> 21 2 . 3 . . 117.888 . 1 1 1 72 ASN N . . . . . . 156 . 25665 1 >> 21 3 . 2 . . 36.701 . 1 1 1 72 ASN CB . . . . . . 786 . 25665 1 >> 22 1 . 1 . . 8.514 . 1 1 1 131 THR H . . . . . . 169 . 25665 1 >> 22 2 . 1 . . 117.821 . 1 1 1 131 THR N . . . . . . 170 . 25665 1 >> 22 3 . 1 . . 71.807 . 1 1 1 131 THR CB . . . . . . 511 . 25665 1 >> 23 1 . 1 . . 7.906 . 1 1 1 33 ALA H . . . . . . 5 . 25665 1 >> 23 2 . 1 . . 120.568 . 1 1 1 33 ALA N . . . . . . 6 . 25665 1 >> 23 3 . 1 . . 17.485 . 1 1 1 33 ALA CB . . . . . . 343 . 25665 1 >> 24 1 . 3 . . 7.654 . 1 1 1 49 TYR H . . . . . . 791 . 25665 1 >> 24 2 . 3 . . 124.470 . 1 1 1 49 TYR N . . . . . . 792 . 25665 1 >> 24 3 . 3 . . 38.718 . 1 1 1 49 TYR CB . . . . . . 795 . 25665 1 >> 25 1 . 3 . . 8.838 . 1 1 1 115 LYS H . . . . . . 299 . 25665 1 >> 25 2 . 2 . . 118.754 . 1 1 1 115 LYS N . . . . . . 298 . 25665 1 >> 25 3 . 1 . . 32.433 . 1 1 1 115 LYS CB . . . . . . 685 . 25665 1 >> 26 1 . 2 . . 8.800 . 1 1 1 28 THR H . . . . . . 181 . 25665 1 >> 26 2 . 1 . . 115.781 . 1 1 1 28 THR N . . . . . . 182 . 25665 1 >> 26 3 . 1 . . 66.991 . 1 1 1 28 THR CB . . . . . . 686 . 25665 1 >> 27 1 . 1 . . 8.550 . 1 1 1 39 MET H . . . . . . 225 . 25665 1 >> 27 2 . 1 . . 117.213 . 1 1 1 39 MET N . . . . . . 226 . 25665 1 >> 27 3 . 1 . . 33.580 . 1 1 1 39 MET CB . . . . . . 573 . 25665 1 >> 28 1 . 1 . . 9.038 . 1 1 1 127 ASN H . . . . . . 135 . 25665 1 >> 28 2 . 1 . . 109.470 . 1 1 1 127 ASN N . . . . . . 136 . 25665 1 >> 28 3 . 1 . . 36.576 . 1 1 1 127 ASN CB . . . . . . 473 . 25665 1 >> 29 1 . 1 . . 6.678 . 1 1 1 56 VAL H . . . . . . 213 . 25665 1 >> 29 2 . 1 . . 111.927 . 1 1 1 56 VAL N . . . . . . 214 . 25665 1 >> 29 3 . 1 . . 32.938 . 1 1 1 56 VAL CB . . . . . . 558 . 25665 1 >> 30 1 . 1 . . 7.088 . 1 1 1 105 PHE H . . . . . . 248 . 25665 1 >> 30 2 . 1 . . 126.605 . 1 1 1 105 PHE N . . . . . . 249 . 25665 1 >> 30 3 . 1 . . 35.632 . 1 1 1 105 PHE CB . . . . . . 589 . 25665 1 >> 31 1 . 1 . . 7.736 . 1 1 1 62 GLU H . . . . . . 269 . 25665 1 >> 31 2 . 1 . . 118.981 . 1 1 1 62 GLU N . . . . . . 270 . 25665 1 >> 31 3 . 1 . . 28.889 . 1 1 1 62 GLU CB . . . . . . 609 . 25665 1 >> 32 1 . 1 . . 7.809 . 1 1 1 18 ALA H . . . . . . 73 . 25665 1 >> 32 2 . 1 . . 121.145 . 1 1 1 18 ALA N . . . . . . 74 . 25665 1 >> 32 3 . 1 . . 17.253 . 1 1 1 18 ALA CB . . . . . . 408 . 25665 1 >> 33 1 . 1 . . 7.438 . 1 1 1 31 GLU H . . . . . . 65 . 25665 1 >> 33 2 . 1 . . 120.997 . 1 1 1 31 GLU N . . . . . . 66 . 25665 1 >> 33 3 . 1 . . 30.144 . 1 1 1 31 GLU CB . . . . . . 400 . 25665 1 >> 34 1 . 4 . . 8.161 . 1 1 1 37 ASP H . . . . . . 778 . 25665 1 >> 34 2 . 4 . . 119.923 . 1 1 1 37 ASP N . . . . . . 779 . 25665 1 >> 34 3 . 1 . . 41.070 . 1 1 1 37 ASP CB . . . . . . 797 . 25665 1 >> 35 1 . 1 . . 7.499 . 1 1 1 11 LYS H . . . . . . 93 . 25665 1 >> 35 2 . 1 . . 124.448 . 1 1 1 11 LYS N . . . . . . 94 . 25665 1 >> 35 3 . 1 . . 31.969 . 1 1 1 11 LYS CB . . . . . . 700 . 25665 1 >> 36 1 . 1 . . 7.994 . 1 1 1 164 ILE H . . . . . . 273 . 25665 1 >> 36 2 . 1 . . 124.035 . 1 1 1 164 ILE N . . . . . . 274 . 25665 1 >> 36 3 . 1 . . 37.161 . 1 1 1 164 ILE CB . . . . . . 614 . 25665 1 >> 37 1 . 1 . . 7.951 . 1 1 1 112 ASP H . . . . . . 282 . 25665 1 >> 37 2 . 1 . . 120.971 . 1 1 1 112 ASP N . . . . . . 283 . 25665 1 >> 37 3 . 1 . . 39.704 . 1 1 1 112 ASP CB . . . . . . 623 . 25665 1 >> 38 1 . 1 . . 7.971 . 1 1 1 112 ASP H . . . . . . 282 . 25665 1 >> 38 2 . 1 . . 120.857 . 1 1 1 112 ASP N . . . . . . 283 . 25665 1 >> 38 3 . 2 . . 40.741 . 1 1 1 4 ASP CB . . . . . . 759 . 25665 1 >> 39 1 . 1 . . 7.787 . 1 1 1 15 TRP H . . . . . . 37 . 25665 1 >> 39 2 . 1 . . 125.156 . 1 1 1 15 TRP N . . . . . . 38 . 25665 1 >> 39 3 . 1 . . 28.886 . 1 1 1 15 TRP CB . . . . . . 690 . 25665 1 >> 40 1 . 1 . . 7.518 . 1 1 1 76 ARG H . . . . . . 15 . 25665 1 >> 40 2 . 1 . . 121.581 . 1 1 1 76 ARG N . . . . . . 16 . 25665 1 >> 40 3 . 1 . . 29.118 . 1 1 1 76 ARG CB . . . . . . 352 . 25665 1 >> 41 1 . 1 . . 8.168 . 1 1 1 68 THR H . . . . . . 185 . 25665 1 >> 41 2 . 1 . . 117.644 . 1 1 1 68 THR N . . . . . . 186 . 25665 1 >> 41 3 . 1 . . 68.638 . 1 1 1 68 THR CB . . . . . . 526 . 25665 1 >> 42 1 . 1 . . 7.913 . 1 1 1 40 ARG H . . . . . . 33 . 25665 1 >> 42 2 . 1 . . 118.502 . 1 1 1 40 ARG N . . . . . . 34 . 25665 1 >> 42 3 . 1 . . 29.291 . 1 1 1 40 ARG CB . . . . . . 373 . 25665 1 >> 43 1 . 1 . . 8.333 . 1 1 1 10 SER H . . . . . . 67 . 25665 1 >> 43 2 . 1 . . 118.371 . 1 1 1 10 SER N . . . . . . 68 . 25665 1 >> 43 3 . 1 . . 61.635 . 1 1 1 10 SER CB . . . . . . 402 . 25665 1 >> 44 1 . 1 . . 8.003 . 1 1 1 57 ASN H . . . . . . 119 . 25665 1 >> 44 2 . 1 . . 116.649 . 1 1 1 57 ASN N . . . . . . 120 . 25665 1 >> 44 3 . 1 . . 39.377 . 1 1 1 57 ASN CB . . . . . . 457 . 25665 1 >> 45 1 . 1 . . 8.757 . 1 1 1 70 ILE H . . . . . . 56 . 25665 1 >> 45 2 . 1 . . 122.785 . 1 1 1 70 ILE N . . . . . . 57 . 25665 1 >> 45 3 . 1 . . 37.251 . 1 1 1 70 ILE CB . . . . . . 339 . 25665 1 >> 46 1 . 1 . . 8.866 . 1 1 1 71 GLU H . . . . . . 238 . 25665 1 >> 46 2 . 1 . . 121.244 . 1 1 1 71 GLU N . . . . . . 239 . 25665 1 >> 46 3 . 1 . . 29.811 . 1 1 1 71 GLU CB . . . . . . 721 . 25665 1 >> 47 1 . 1 . . 8.727 . 1 1 1 60 ASN H . . . . . . 109 . 25665 1 >> 47 2 . 2 . . 121.381 . 1 1 1 60 ASN N . . . . . . 110 . 25665 1 >> 47 3 . 1 . . 39.730 . 1 1 1 60 ASN CB . . . . . . 702 . 25665 1 >> 48 1 . 1 . . 8.920 . 1 1 1 123 LEU H . . . . . . 17 . 25665 1 >> 48 2 . 1 . . 123.982 . 1 1 1 123 LEU N . . . . . . 18 . 25665 1 >> 48 3 . 1 . . 45.404 . 1 1 1 123 LEU CB . . . . . . 353 . 25665 1 >> 49 1 . 1 . . 9.199 . 1 1 1 176 ASN H . . . . . . 43 . 25665 1 >> 49 2 . 1 . . 116.217 . 1 1 1 176 ASN N . . . . . . 44 . 25665 1 >> 49 3 . 1 . . 38.220 . 1 1 1 176 ASN CB . . . . . . 692 . 25665 1 >> 50 1 . 1 . . 8.969 . 1 1 1 47 ASN H . . . . . . 91 . 25665 1 >> 50 2 . 1 . . 118.093 . 1 1 1 47 ASN N . . . . . . 92 . 25665 1 >> 50 3 . 1 . . 37.126 . 1 1 1 47 ASN CB . . . . . . 427 . 25665 1 >> 51 1 . 1 . . 8.505 . 1 1 1 32 LEU H . . . . . . 244 . 25665 1 >> 51 2 . 1 . . 119.444 . 1 1 1 32 LEU N . . . . . . 245 . 25665 1 >> 51 3 . 2 . . 41.090 . 1 1 1 32 LEU CB . . . . . . 337 . 25665 1 >> 52 1 . 1 . . 8.617 . 1 1 1 36 ASN H . . . . . . 772 . 25665 1 >> 52 2 . 1 . . 120.119 . 1 1 1 36 ASN N . . . . . . 773 . 25665 1 >> 52 3 . 2 . . 37.626 . 1 1 1 36 ASN CB . . . . . . 336 . 25665 1 >> 53 1 . 1 . . 7.716 . 1 1 1 75 LYS H . . . . . . 53 . 25665 1 >> 53 2 . 1 . . 117.395 . 1 1 1 75 LYS N . . . . . . 54 . 25665 1 >> 53 3 . 1 . . 33.275 . 1 1 1 75 LYS CB . . . . . . 390 . 25665 1 >> 54 1 . 1 . . 7.688 . 1 1 1 118 TRP H . . . . . . 205 . 25665 1 >> 54 2 . 1 . . 115.007 . 1 1 1 118 TRP N . . . . . . 206 . 25665 1 >> 54 3 . 1 . . 31.101 . 1 1 1 118 TRP CB . . . . . . 549 . 25665 1 >> 55 1 . 1 . . 7.659 . 1 1 1 52 SER H . . . . . . 159 . 25665 1 >> 55 2 . 1 . . 113.816 . 1 1 1 52 SER N . . . . . . 160 . 25665 1 >> 55 3 . 1 . . 63.238 . 1 1 1 52 SER CB . . . . . . 501 . 25665 1 >> 56 1 . 1 . . 8.703 . 1 1 1 108 LEU H . . . . . . 209 . 25665 1 >> 56 2 . 1 . . 129.947 . 1 1 1 108 LEU N . . . . . . 210 . 25665 1 >> 56 3 . 1 . . 41.113 . 1 1 1 108 LEU CB . . . . . . 552 . 25665 1 >> 57 1 . 1 . . 7.670 . 1 1 1 23 TRP H . . . . . . 123 . 25665 1 >> 57 2 . 1 . . 123.500 . 1 1 1 23 TRP N . . . . . . 124 . 25665 1 >> 57 3 . 1 . . 29.041 . 1 1 1 23 TRP CB . . . . . . 460 . 25665 1 >> 58 1 . 1 . . 7.141 . 1 1 1 66 LYS H . . . . . . 133 . 25665 1 >> 58 2 . 1 . . 122.016 . 1 1 1 66 LYS N . . . . . . 134 . 25665 1 >> 58 3 . 1 . . 32.702 . 1 1 1 66 LYS CB . . . . . . 708 . 25665 1 >> 59 1 . 1 . . 6.293 . 1 1 1 44 THR H . . . . . . 177 . 25665 1 >> 59 2 . 1 . . 120.885 . 1 1 1 44 THR N . . . . . . 178 . 25665 1 >> 59 3 . 1 . . 67.383 . 1 1 1 44 THR CB . . . . . . 521 . 25665 1 >> 60 1 . 1 . . 6.685 . 1 1 1 27 LEU H . . . . . . 296 . 25665 1 >> 60 2 . 1 . . 119.773 . 1 1 1 27 LEU N . . . . . . 297 . 25665 1 >> 60 3 . 1 . . 41.456 . 1 1 1 27 LEU CB . . . . . . 731 . 25665 1 >> 61 1 . 1 . . 7.007 . 1 1 1 107 LYS H . . . . . . 139 . 25665 1 >> 61 2 . 2 . . 120.119 . 1 1 1 107 LYS N . . . . . . 140 . 25665 1 >> 61 3 . 1 . . 31.787 . 1 1 1 107 LYS CB . . . . . . 709 . 25665 1 >> 62 1 . 1 . . 6.333 . 1 1 1 177 HIS H . . . . . . 19 . 25665 1 >> 62 2 . 1 . . 125.749 . 1 1 1 177 HIS N . . . . . . 20 . 25665 1 >> 62 3 . 1 . . 26.357 . 1 1 1 177 HIS CB . . . . . . 356 . 25665 1 >> 63 1 . 1 . . 7.355 . 1 1 1 129 ILE H . . . . . . 27 . 25665 1 >> 63 2 . 1 . . 119.769 . 1 1 1 129 ILE N . . . . . . 28 . 25665 1 >> 63 3 . 1 . . 41.322 . 1 1 1 129 ILE CB . . . . . . 368 . 25665 1 >> 64 1 . 1 . . 7.432 . 1 1 1 117 LYS H . . . . . . 75 . 25665 1 >> 64 2 . 1 . . 120.623 . 1 1 1 117 LYS N . . . . . . 76 . 25665 1 >> 64 3 . 1 . . 33.041 . 1 1 1 117 LYS CB . . . . . . 698 . 25665 1 >> 65 1 . 1 . . 9.167 . 1 1 1 58 ASN H . . . . . . 153 . 25665 1 >> 65 2 . 1 . . 117.878 . 1 1 1 58 ASN N . . . . . . 154 . 25665 1 >> 65 3 . 1 . . 37.955 . 1 1 1 58 ASN CB . . . . . . 494 . 25665 1 >> 66 1 . 1 . . 7.380 . 1 1 1 25 ASN H . . . . . . 165 . 25665 1 >> 66 2 . 1 . . 117.995 . 1 1 1 25 ASN N . . . . . . 166 . 25665 1 >> 66 3 . 1 . . 38.128 . 1 1 1 25 ASN CB . . . . . . 712 . 25665 1 >> 67 1 . 1 . . 7.513 . 1 1 1 81 THR H . . . . . . 25 . 25665 1 >> 67 2 . 1 . . 115.394 . 1 1 1 81 THR N . . . . . . 26 . 25665 1 >> 67 3 . 1 . . 70.046 . 1 1 1 81 THR CB . . . . . . 365 . 25665 1 >> 68 1 . 1 . . 9.168 . 1 1 1 77 GLU H . . . . . . 161 . 25665 1 >> 68 2 . 1 . . 121.321 . 1 1 1 77 GLU N . . . . . . 162 . 25665 1 >> 68 3 . 1 . . 31.007 . 1 1 1 77 GLU CB . . . . . . 504 . 25665 1 >> 69 1 . 1 . . 9.553 . 1 1 1 184 ASN H . . . . . . 256 . 25665 1 >> 69 2 . 1 . . 128.832 . 1 1 1 184 ASN N . . . . . . 257 . 25665 1 >> 69 3 . 1 . . 40.459 . 1 1 1 184 ASN CB . . . . . . 598 . 25665 1 >> 70 1 . 1 . . 8.967 . 1 1 1 183 ILE H . . . . . . 195 . 25665 1 >> 70 2 . 1 . . 127.750 . 1 1 1 183 ILE N . . . . . . 196 . 25665 1 >> 70 3 . 1 . . 36.291 . 1 1 1 183 ILE CB . . . . . . 537 . 25665 1 >> 71 1 . 1 . . 8.146 . 1 1 1 168 ALA H . . . . . . 21 . 25665 1 >> 71 2 . 1 . . 131.086 . 1 1 1 168 ALA N . . . . . . 22 . 25665 1 >> 71 3 . 1 . . 18.447 . 1 1 1 168 ALA CB . . . . . . 359 . 25665 1 >> 72 1 . 1 . . 8.317 . 1 1 1 174 LEU H . . . . . . 23 . 25665 1 >> 72 2 . 1 . . 132.342 . 1 1 1 174 LEU N . . . . . . 24 . 25665 1 >> 72 3 . 1 . . 44.163 . 1 1 1 174 LEU CB . . . . . . 362 . 25665 1 >> 73 1 . 1 . . 8.535 . 1 1 1 173 VAL H . . . . . . 29 . 25665 1 >> 73 2 . 1 . . 126.631 . 1 1 1 173 VAL N . . . . . . 30 . 25665 1 >> 73 3 . 1 . . 32.266 . 1 1 1 173 VAL CB . . . . . . 371 . 25665 1 >> 74 1 . 1 . . 8.529 . 1 1 1 17 LYS H . . . . . . 271 . 25665 1 >> 74 2 . 1 . . 122.844 . 1 1 1 17 LYS N . . . . . . 272 . 25665 1 >> 74 3 . 1 . . 32.013 . 1 1 1 17 LYS CB . . . . . . 727 . 25665 1 >> 75 1 . 1 . . 8.118 . 1 1 1 21 ASN H . . . . . . 290 . 25665 1 >> 75 2 . 1 . . 123.412 . 1 1 1 21 ASN N . . . . . . 291 . 25665 1 >> 75 3 . 1 . . 38.071 . 1 1 1 21 ASN CB . . . . . . 628 . 25665 1 >> 76 1 . 1 . . 8.087 . 1 1 1 7 ASP H . . . . . . 211 . 25665 1 >> 76 2 . 1 . . 121.939 . 1 1 1 7 ASP N . . . . . . 212 . 25665 1 >> 76 3 . 1 . . 40.797 . 1 1 1 7 ASP CB . . . . . . 555 . 25665 1 >> 77 1 . 1 . . 7.804 . 1 1 1 110 ASN H . . . . . . 183 . 25665 1 >> 77 2 . 1 . . 118.734 . 1 1 1 110 ASN N . . . . . . 184 . 25665 1 >> 77 3 . 1 . . 36.787 . 1 1 1 110 ASN CB . . . . . . 524 . 25665 1 >> 78 1 . 1 . . 8.007 . 1 1 1 172 GLU H . . . . . . 227 . 25665 1 >> 78 2 . 1 . . 119.772 . 1 1 1 172 GLU N . . . . . . 228 . 25665 1 >> 78 3 . 1 . . 32.829 . 1 1 1 172 GLU CB . . . . . . 719 . 25665 1 >> 79 1 . 1 . . 7.798 . 1 1 1 26 LYS H . . . . . . 71 . 25665 1 >> 79 2 . 2 . . 119.608 . 1 1 1 26 LYS N . . . . . . 72 . 25665 1 >> 79 3 . 1 . . 32.487 . 1 1 1 26 LYS CB . . . . . . 697 . 25665 1 >> 80 1 . 1 . . 8.165 . 1 1 1 8 ASP H . . . . . . 193 . 25665 1 >> 80 2 . 1 . . 121.439 . 1 1 1 8 ASP N . . . . . . 194 . 25665 1 >> 80 3 . 1 . . 40.744 . 1 1 1 8 ASP CB . . . . . . 536 . 25665 1 >> 81 1 . 1 . . 7.875 . 1 1 1 69 ASN H . . . . . . 242 . 25665 1 >> 81 2 . 1 . . 120.191 . 1 1 1 69 ASN N . . . . . . 243 . 25665 1 >> 81 3 . 1 . . 37.140 . 1 1 1 69 ASN CB . . . . . . 722 . 25665 1 >> 82 1 . 1 . . 7.939 . 1 1 1 5 PHE H . . . . . . 275 . 25665 1 >> 82 2 . 1 . . 121.177 . 1 1 1 5 PHE N . . . . . . 276 . 25665 1 >> 82 3 . 1 . . 38.696 . 1 1 1 5 PHE CB . . . . . . 617 . 25665 1 >> 83 1 . 1 . . 7.820 . 1 1 1 128 PHE H . . . . . . 191 . 25665 1 >> 83 2 . 1 . . 117.078 . 1 1 1 128 PHE N . . . . . . 192 . 25665 1 >> 83 3 . 1 . . 39.095 . 1 1 1 128 PHE CB . . . . . . 533 . 25665 1 >> 84 1 . 1 . . 8.947 . 1 1 1 202 THR H . . . . . . 240 . 25665 1 >> 84 2 . 1 . . 117.688 . 1 1 1 202 THR N . . . . . . 241 . 25665 1 >> 84 3 . 1 . . 71.360 . 1 1 1 202 THR CB . . . . . . 583 . 25665 1 >> 85 1 . 1 . . 8.241 . 1 1 1 124 SER H . . . . . . 286 . 25665 1 >> 85 2 . 1 . . 117.216 . 1 1 1 124 SER N . . . . . . 287 . 25665 1 >> 85 3 . 1 . . 64.679 . 1 1 1 124 SER CB . . . . . . 730 . 25665 1 >> 86 1 . 1 . . 8.516 . 1 1 1 195 THR H . . . . . . 215 . 25665 1 >> 86 2 . 1 . . 126.117 . 1 1 1 195 THR N . . . . . . 216 . 25665 1 >> 86 3 . 1 . . 67.785 . 1 1 1 195 THR CB . . . . . . 560 . 25665 1 >> 87 1 . 2 . . 8.977 . 1 1 1 151 THR H . . . . . . 837 . 25665 1 >> 87 2 . 2 . . 123.640 . 1 1 1 151 THR N . . . . . . 836 . 25665 1 >> 87 3 . 2 . . 68.829 . 1 1 1 151 THR CB . . . . . . 840 . 25665 1 >> 88 1 . 1 . . 7.882 . 1 1 1 179 SER H . . . . . . 81 . 25665 1 >> 88 2 . 1 . . 118.159 . 1 1 1 179 SER N . . . . . . 82 . 25665 1 >> 88 3 . 1 . . 64.111 . 1 1 1 179 SER CB . . . . . . 699 . 25665 1 >> 89 1 . 1 . . 9.136 . 1 1 1 201 ALA H . . . . . . 125 . 25665 1 >> 89 2 . 1 . . 128.820 . 1 1 1 201 ALA N . . . . . . 126 . 25665 1 >> 89 3 . 1 . . 23.491 . 1 1 1 201 ALA CB . . . . . . 706 . 25665 1 >> 90 1 . 1 . . 8.484 . 1 1 1 191 ASP H . . . . . . 103 . 25665 1 >> 90 2 . 1 . . 126.698 . 1 1 1 191 ASP N . . . . . . 104 . 25665 1 >> 90 3 . 1 . . 40.651 . 1 1 1 191 ASP CB . . . . . . 442 . 25665 1 >> 91 1 . 1 . . 7.703 . 1 1 1 185 LYS H . . . . . . 10 . 25665 1 >> 91 2 . 1 . . 117.756 . 1 1 1 185 LYS N . . . . . . 11 . 25665 1 >> 91 3 . 1 . . 35.204 . 1 1 1 185 LYS CB . . . . . . 348 . 25665 1 >> 92 1 . 1 . . 7.425 . 1 1 1 94 PHE H . . . . . . 107 . 25665 1 >> 92 2 . 1 . . 116.038 . 1 1 1 94 PHE N . . . . . . 108 . 25665 1 >> 92 3 . 1 . . 39.664 . 1 1 1 94 PHE CB . . . . . . 448 . 25665 1 >> 93 1 . 1 . . 8.038 . 1 1 1 20 TYR H . . . . . . 95 . 25665 1 >> 93 2 . 1 . . 115.777 . 1 1 1 20 TYR N . . . . . . 96 . 25665 1 >> 93 3 . 1 . . 37.776 . 1 1 1 20 TYR CB . . . . . . 432 . 25665 1 >> 94 1 . 1 . . 8.524 . 1 1 1 79 ILE H . . . . . . 173 . 25665 1 >> 94 2 . 1 . . 122.960 . 1 1 1 79 ILE N . . . . . . 174 . 25665 1 >> 94 3 . 1 . . 35.781 . 1 1 1 79 ILE CB . . . . . . 515 . 25665 1 >> 95 1 . 1 . . 8.051 . 1 1 1 97 THR H . . . . . . 266 . 25665 1 >> 95 2 . 1 . . 110.075 . 1 1 1 97 THR N . . . . . . 267 . 25665 1 >> 95 3 . 1 . . 71.698 . 1 1 1 97 THR CB . . . . . . 726 . 25665 1 >> 96 1 . 1 . . 9.068 . 1 1 1 182 LYS H . . . . . . 3 . 25665 1 >> 96 2 . 1 . . 125.005 . 1 1 1 182 LYS N . . . . . . 4 . 25665 1 >> 96 3 . 1 . . 33.903 . 1 1 1 182 LYS CB . . . . . . 340 . 25665 1 >> 97 1 . 1 . . 8.459 . 1 1 1 98 LEU H . . . . . . 47 . 25665 1 >> 97 2 . 1 . . 118.747 . 1 1 1 98 LEU N . . . . . . 48 . 25665 1 >> 97 3 . 1 . . 42.118 . 1 1 1 98 LEU CB . . . . . . 694 . 25665 1 >> 98 1 . 1 . . 8.045 . 1 1 1 6 LYS H . . . . . . 167 . 25665 1 >> 98 2 . 1 . . 123.612 . 1 1 1 6 LYS N . . . . . . 168 . 25665 1 >> 98 3 . 1 . . 32.555 . 1 1 1 6 LYS CB . . . . . . 713 . 25665 1 >> 99 1 . 1 . . 7.545 . 1 1 1 100 SER H . . . . . . 1 . 25665 1 >> 99 2 . 2 . . 123.347 . 1 1 1 100 SER N . . . . . . 2 . 25665 1 >> 99 3 . 1 . . 62.344 . 1 1 1 100 SER CB . . . . . . 687 . 25665 1 >> 100 1 . 1 . . 9.133 . 1 1 1 150 ILE H . . . . . . 203 . 25665 1 >> 100 2 . 1 . . 129.449 . 1 1 1 150 ILE N . . . . . . 204 . 25665 1 >> 100 3 . 1 . . 40.377 . 1 1 1 150 ILE CB . . . . . . 546 . 25665 1 >> 101 1 . 1 . . 8.658 . 1 1 1 13 ASP H . . . . . . 13 . 25665 1 >> 101 2 . 1 . . 123.434 . 1 1 1 13 ASP N . . . . . . 14 . 25665 1 >> 101 3 . 1 . . 42.091 . 1 1 1 13 ASP CB . . . . . . 688 . 25665 1 >> 102 1 . 1 . . 7.912 . 1 1 1 121 GLN H . . . . . . 60 . 25665 1 >> 102 2 . 1 . . 119.634 . 1 1 1 121 GLN N . . . . . . 61 . 25665 1 >> 102 3 . 1 . . 28.951 . 1 1 1 121 GLN CB . . . . . . 696 . 25665 1 >> 103 1 . 1 . . 7.590 . 1 1 1 156 SER H . . . . . . 113 . 25665 1 >> 103 2 . 2 . . 119.763 . 1 1 1 156 SER N . . . . . . 114 . 25665 1 >> 103 3 . 1 . . 61.856 . 1 1 1 156 SER CB . . . . . . 703 . 25665 1 >> 104 1 . 1 . . 8.208 . 1 1 1 3 LEU H . . . . . . 99 . 25665 1 >> 104 2 . 1 . . 124.140 . 1 1 1 3 LEU N . . . . . . 100 . 25665 1 >> 104 3 . 1 . . 41.621 . 1 1 1 3 LEU CB . . . . . . 701 . 25665 1 >> 105 1 . 1 . . 8.857 . 1 1 1 181 PHE H . . . . . . 217 . 25665 1 >> 105 2 . 1 . . 118.671 . 1 1 1 181 PHE N . . . . . . 218 . 25665 1 >> 105 3 . 1 . . 41.719 . 1 1 1 181 PHE CB . . . . . . 562 . 25665 1 >> 106 1 . 1 . . 7.665 . 1 1 1 167 TYR H . . . . . . 236 . 25665 1 >> 106 2 . 1 . . 122.334 . 1 1 1 167 TYR N . . . . . . 237 . 25665 1 >> 106 3 . 1 . . 38.353 . 1 1 1 167 TYR CB . . . . . . 720 . 25665 1 >> 107 1 . 1 . . 8.721 . 1 1 1 188 SER H . . . . . . 171 . 25665 1 >> 107 2 . 1 . . 114.593 . 1 1 1 188 SER N . . . . . . 172 . 25665 1 >> 107 3 . 1 . . 66.983 . 1 1 1 188 SER CB . . . . . . 714 . 25665 1 >> 108 1 . 1 . . 7.846 . 1 1 1 53 ASN H . . . . . . 121 . 25665 1 >> 108 2 . 1 . . 119.036 . 1 1 1 53 ASN N . . . . . . 122 . 25665 1 >> 108 3 . 1 . . 36.619 . 1 1 1 53 ASN CB . . . . . . 705 . 25665 1 >> 109 1 . 1 . . 9.056 . 1 1 1 149 ARG H . . . . . . 51 . 25665 1 >> 109 2 . 1 . . 129.336 . 1 1 1 149 ARG N . . . . . . 52 . 25665 1 >> 109 3 . 1 . . 31.257 . 1 1 1 149 ARG CB . . . . . . 695 . 25665 1 >> 110 1 . 1 . . 8.595 . 1 1 1 175 LEU H . . . . . . 199 . 25665 1 >> 110 2 . 1 . . 123.643 . 1 1 1 175 LEU N . . . . . . 200 . 25665 1 >> 110 3 . 1 . . 42.601 . 1 1 1 175 LEU CB . . . . . . 716 . 25665 1 >> 111 1 . 1 . . 8.177 . 1 1 1 130 SER H . . . . . . 163 . 25665 1 >> 111 2 . 1 . . 122.160 . 1 1 1 130 SER N . . . . . . 164 . 25665 1 >> 111 3 . 1 . . 63.172 . 1 1 1 130 SER CB . . . . . . 507 . 25665 1 >> 112 1 . 1 . . 9.052 . 1 1 1 200 ASP H . . . . . . 145 . 25665 1 >> 112 2 . 1 . . 129.885 . 1 1 1 200 ASP N . . . . . . 146 . 25665 1 >> 112 3 . 1 . . 42.785 . 1 1 1 200 ASP CB . . . . . . 484 . 25665 1 >> 113 1 . 1 . . 7.672 . 1 1 1 96 LEU H . . . . . . 115 . 25665 1 >> 113 2 . 1 . . 120.133 . 1 1 1 96 LEU N . . . . . . 116 . 25665 1 >> 113 3 . 1 . . 45.297 . 1 1 1 96 LEU CB . . . . . . 704 . 25665 1 >> 114 1 . 1 . . 9.073 . 1 1 1 86 TYR H . . . . . . 137 . 25665 1 >> 114 2 . 1 . . 116.318 . 1 1 1 86 TYR N . . . . . . 138 . 25665 1 >> 114 3 . 1 . . 42.407 . 1 1 1 86 TYR CB . . . . . . 476 . 25665 1 >> 115 1 . 1 . . 8.312 . 1 1 1 122 ALA H . . . . . . 83 . 25665 1 >> 115 2 . 1 . . 121.535 . 1 1 1 122 ALA N . . . . . . 84 . 25665 1 >> 115 3 . 1 . . 20.432 . 1 1 1 122 ALA CB . . . . . . 416 . 25665 1 >> 116 1 . 2 . . 8.281 . 1 1 1 203 LEU H . . . . . . 776 . 25665 1 >> 116 2 . 1 . . 129.714 . 1 1 1 203 LEU N . . . . . . 62 . 25665 1 >> 116 3 . 2 . . 42.941 . 1 1 1 203 LEU CB . . . . . . 777 . 25665 1 >> 117 1 . 1 . . 7.564 . 1 1 1 43 TYR H . . . . . . 221 . 25665 1 >> 117 2 . 1 . . 118.076 . 1 1 1 43 TYR N . . . . . . 222 . 25665 1 >> 117 3 . 1 . . 34.745 . 1 1 1 43 TYR CB . . . . . . 718 . 25665 1 >> 118 1 . 1 . . 8.751 . 1 1 1 187 ASP H . . . . . . 223 . 25665 1 >> 118 2 . 1 . . 128.007 . 1 1 1 187 ASP N . . . . . . 224 . 25665 1 >> 118 3 . 1 . . 44.734 . 1 1 1 187 ASP CB . . . . . . 570 . 25665 1 >> 119 1 . 1 . . 9.101 . 1 1 1 186 ILE H . . . . . . 97 . 25665 1 >> 119 2 . 1 . . 125.880 . 1 1 1 186 ILE N . . . . . . 98 . 25665 1 >> 119 3 . 1 . . 40.337 . 1 1 1 186 ILE CB . . . . . . 435 . 25665 1 >> 120 1 . 1 . . 6.884 . 1 1 1 104 ASP H . . . . . . 89 . 25665 1 >> 120 2 . 1 . . 115.781 . 1 1 1 104 ASP N . . . . . . 90 . 25665 1 >> 120 3 . 1 . . 38.571 . 1 1 1 104 ASP CB . . . . . . 424 . 25665 1 >> 121 1 . 1 . . 8.092 . 1 1 1 106 ASN H . . . . . . 187 . 25665 1 >> 121 2 . 1 . . 118.202 . 1 1 1 106 ASN N . . . . . . 188 . 25665 1 >> 121 3 . 1 . . 36.247 . 1 1 1 106 ASN CB . . . . . . 529 . 25665 1 >> 122 1 . 1 . . 8.991 . 1 1 1 189 TYR H . . . . . . 141 . 25665 1 >> 122 2 . 1 . . 119.625 . 1 1 1 189 TYR N . . . . . . 142 . 25665 1 >> 122 3 . 1 . . 39.729 . 1 1 1 189 TYR CB . . . . . . 710 . 25665 1 >> 123 1 . 1 . . 8.362 . 1 1 1 197 LEU H . . . . . . 258 . 25665 1 >> 123 2 . 1 . . 116.772 . 1 1 1 197 LEU N . . . . . . 259 . 25665 1 >> 123 3 . 1 . . 44.330 . 1 1 1 197 LEU CB . . . . . . 601 . 25665 1 >> 124 1 . 1 . . 7.967 . 1 1 1 125 TYR H . . . . . . 179 . 25665 1 >> 124 2 . 1 . . 124.189 . 1 1 1 125 TYR N . . . . . . 180 . 25665 1 >> 124 3 . 1 . . 39.562 . 1 1 1 125 TYR CB . . . . . . 715 . 25665 1 >> 125 1 . 1 . . 7.442 . 1 1 1 146 ILE H . . . . . . 201 . 25665 1 >> 125 2 . 1 . . 117.954 . 1 1 1 146 ILE N . . . . . . 202 . 25665 1 >> 125 3 . 1 . . 40.000 . 1 1 1 146 ILE CB . . . . . . 717 . 25665 1 >> 126 1 . 2 . . 9.753 . 1 1 1 152 ILE H . . . . . . 831 . 25665 1 >> 126 2 . 2 . . 131.095 . 1 1 1 152 ILE N . . . . . . 832 . 25665 1 >> 126 3 . 2 . . 38.535 . 1 1 1 152 ILE CB . . . . . . 835 . 25665 1 >> 127 1 . 1 . . 8.335 . 1 1 1 170 GLU H . . . . . . 262 . 25665 1 >> 127 2 . 2 . . 123.953 . 1 1 1 170 GLU N . . . . . . 263 . 25665 1 >> 127 3 . 1 . . 30.063 . 1 1 1 170 GLU CB . . . . . . 724 . 25665 1 >> 128 1 . 1 . . 8.979 . 1 1 1 85 VAL H . . . . . . 157 . 25665 1 >> 128 2 . 1 . . 118.669 . 1 1 1 85 VAL N . . . . . . 158 . 25665 1 >> 128 3 . 1 . . 35.644 . 1 1 1 85 VAL CB . . . . . . 711 . 25665 1 >> 129 1 . 1 . . 8.753 . 1 1 1 196 LYS H . . . . . . 35 . 25665 1 >> 129 2 . 1 . . 128.837 . 1 1 1 196 LYS N . . . . . . 36 . 25665 1 >> 129 3 . 1 . . 35.682 . 1 1 1 196 LYS CB . . . . . . 689 . 25665 1 >> 130 1 . 1 . . 7.264 . 1 1 1 163 ALA H . . . . . . 246 . 25665 1 >> 130 2 . 1 . . 122.049 . 1 1 1 163 ALA N . . . . . . 247 . 25665 1 >> 130 3 . 1 . . 19.380 . 1 1 1 163 ALA CB . . . . . . 723 . 25665 1 >> 131 1 . 1 . . 8.475 . 1 1 1 190 LYS H . . . . . . 105 . 25665 1 >> 131 2 . 1 . . 120.446 . 1 1 1 190 LYS N . . . . . . 106 . 25665 1 >> 131 3 . 1 . . 32.916 . 1 1 1 190 LYS CB . . . . . . 445 . 25665 1 >> 132 1 . 1 . . 8.058 . 1 1 1 180 LYS H . . . . . . 264 . 25665 1 >> 132 2 . 1 . . 122.488 . 1 1 1 180 LYS N . . . . . . 265 . 25665 1 >> 132 3 . 1 . . 35.090 . 1 1 1 180 LYS CB . . . . . . 725 . 25665 1 >> 133 1 . 1 . . 7.981 . 1 1 1 82 ASN H . . . . . . 127 . 25665 1 >> 133 2 . 1 . . 121.642 . 1 1 1 82 ASN N . . . . . . 128 . 25665 1 >> 133 3 . 1 . . 37.217 . 1 1 1 82 ASN CB . . . . . . 707 . 25665 1 >> 134 1 . 1 . . 7.377 . 1 1 1 103 TYR H . . . . . . 300 . 25665 1 >> 134 2 . 1 . . 117.298 . 1 1 1 103 TYR N . . . . . . 301 . 25665 1 >> 134 3 . 1 . . 39.718 . 1 1 1 103 TYR CB . . . . . . 637 . 25665 1 >> 135 1 . 1 . . 8.409 . 1 1 1 84 THR H . . . . . . 303 . 25665 1 >> 135 2 . 1 . . 125.348 . 1 1 1 84 THR N . . . . . . 302 . 25665 1 >> 135 3 . 1 . . 69.391 . 1 1 1 84 THR CB . . . . . . 732 . 25665 1 >> 136 1 . 1 . . 8.753 . 1 1 1 147 VAL H . . . . . . 306 . 25665 1 >> 136 2 . 1 . . 129.754 . 1 1 1 147 VAL N . . . . . . 307 . 25665 1 >> 136 3 . 1 . . 33.121 . 1 1 1 147 VAL CB . . . . . . 733 . 25665 1 >> 137 1 . 1 . . 8.729 . 1 1 1 83 LEU H . . . . . . 308 . 25665 1 >> 137 2 . 1 . . 131.286 . 1 1 1 83 LEU N . . . . . . 309 . 25665 1 >> 137 3 . 1 . . 47.476 . 1 1 1 83 LEU CB . . . . . . 641 . 25665 1 >> 138 1 . 1 . . 8.417 . 1 1 1 22 ASP H . . . . . . 310 . 25665 1 >> 138 2 . 1 . . 118.073 . 1 1 1 22 ASP N . . . . . . 311 . 25665 1 >> 138 3 . 1 . . 40.413 . 1 1 1 22 ASP CB . . . . . . 643 . 25665 1 >> 139 1 . 1 . . 8.582 . 1 1 1 193 THR H . . . . . . 312 . 25665 1 >> 139 2 . 1 . . 118.244 . 1 1 1 193 THR N . . . . . . 313 . 25665 1 >> 139 3 . 1 . . 68.605 . 1 1 1 193 THR CB . . . . . . 682 . 25665 1 >> 140 1 . 1 . . 9.006 . 1 1 1 87 ARG H . . . . . . 314 . 25665 1 >> 140 2 . 1 . . 120.363 . 1 1 1 87 ARG N . . . . . . 315 . 25665 1 >> 140 3 . 1 . . 33.812 . 1 1 1 87 ARG CB . . . . . . 683 . 25665 1 >> 141 1 . 1 . . 7.565 . 1 1 1 161 LEU H . . . . . . 316 . 25665 1 >> 141 2 . 1 . . 128.980 . 1 1 1 161 LEU N . . . . . . 317 . 25665 1 >> 141 3 . 1 . . 41.248 . 1 1 1 161 LEU CB . . . . . . 649 . 25665 1 >> 142 1 . 1 . . 9.349 . 1 1 1 199 VAL H . . . . . . 318 . 25665 1 >> 142 2 . 1 . . 131.579 . 1 1 1 199 VAL N . . . . . . 319 . 25665 1 >> 142 3 . 1 . . 32.360 . 1 1 1 199 VAL CB . . . . . . 651 . 25665 1 >> 143 1 . 2 . . 7.182 . 1 1 1 19 ASN H . . . . . . 788 . 25665 1 >> 143 2 . 1 . . 113.165 . 1 1 1 19 ASN N . . . . . . 320 . 25665 1 >> 143 3 . 1 . . 40.116 . 1 1 1 19 ASN CB . . . . . . 654 . 25665 1 >> 144 1 . 1 . . 7.978 . 1 1 1 50 LEU H . . . . . . 294 . 25665 1 >> 144 2 . 1 . . 120.356 . 1 1 1 50 LEU N . . . . . . 295 . 25665 1 >> 144 3 . 1 . . 41.497 . 1 1 1 50 LEU CB . . . . . . 634 . 25665 1 >> 145 1 . 1 . . 7.607 . 1 1 1 93 GLU H . . . . . . 323 . 25665 1 >> 145 2 . 1 . . 120.791 . 1 1 1 93 GLU N . . . . . . 324 . 25665 1 >> 145 3 . 1 . . 28.261 . 1 1 1 93 GLU CB . . . . . . 657 . 25665 1 >> 146 1 . 1 . . 8.834 . 1 1 1 88 ARG H . . . . . . 325 . 25665 1 >> 146 2 . 1 . . 127.257 . 1 1 1 88 ARG N . . . . . . 326 . 25665 1 >> 146 3 . 1 . . 29.850 . 1 1 1 88 ARG CB . . . . . . 660 . 25665 1 >> 147 1 . 1 . . 6.130 . 1 1 1 162 SER H . . . . . . 327 . 25665 1 >> 147 2 . 1 . . 109.452 . 1 1 1 162 SER N . . . . . . 328 . 25665 1 >> 147 3 . 1 . . 61.596 . 1 1 1 162 SER CB . . . . . . 684 . 25665 1 >> 148 1 . 1 . . 8.465 . 1 1 1 204 ILE H . . . . . . 41 . 25665 1 >> 148 2 . 1 . . 128.316 . 1 1 1 204 ILE N . . . . . . 42 . 25665 1 >> 148 3 . 1 . . 38.173 . 1 1 1 204 ILE CB . . . . . . 691 . 25665 1 >> 149 1 . 1 . . 8.582 . 1 1 1 48 ASN H . . . . . . 288 . 25665 1 >> 149 2 . 1 . . 120.757 . 1 1 1 48 ASN N . . . . . . 289 . 25665 1 >> 149 3 . 2 . . 37.083 . 1 1 1 48 ASN CB . . . . . . 790 . 25665 1 >> 150 1 . 1 . . 8.399 . 1 1 1 171 TYR H . . . . . . 304 . 25665 1 >> 150 2 . 1 . . 124.528 . 1 1 1 171 TYR N . . . . . . 305 . 25665 1 >> 150 3 . 1 . . 35.864 . 1 1 1 171 TYR CB . . . . . . 822 . 25665 1 >> 151 1 . 1 . . 6.984 . 1 1 1 159 ALA H . . . . . . 800 . 25665 1 >> 151 2 . 1 . . 113.198 . 1 1 1 159 ALA N . . . . . . 801 . 25665 1 >> 151 3 . 1 . . 21.495 . 1 1 1 159 ALA CB . . . . . . 806 . 25665 1 >> 152 1 . 1 . . 7.681 . 1 1 1 111 ILE H . . . . . . 151 . 25665 1 >> 152 2 . 1 . . 125.467 . 1 1 1 111 ILE N . . . . . . 152 . 25665 1 >> 152 3 . 1 . . 36.998 . 1 1 1 111 ILE CB . . . . . . 811 . 25665 1 >> 153 1 . 1 . . 7.559 . 1 1 1 99 THR H . . . . . . 207 . 25665 1 >> 153 2 . 1 . . 105.203 . 1 1 1 99 THR N . . . . . . 208 . 25665 1 >> 153 3 . 1 . . 68.096 . 1 1 1 99 THR CB . . . . . . 749 . 25665 1 >> 154 1 . 1 . . 8.035 . 1 1 1 45 ALA H . . . . . . 278 . 25665 1 >> 154 2 . 1 . . 124.116 . 1 1 1 45 ALA N . . . . . . 279 . 25665 1 >> 154 3 . 1 . . 17.988 . 1 1 1 45 ALA CB . . . . . . 931 . 25665 1 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '2D 1H-15N HSQC/HMQC' _Number_of_spectral_dimensions 2 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 N 15N stop_ _Sample_label $15N-cMSD1 _Sample_conditions_label $cMSD1_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2 >> _Spectral_peak_list.Entry_ID 25665 >> _Spectral_peak_list.ID 2 >> _Spectral_peak_list.Sample_ID 2 >> _Spectral_peak_list.Sample_label $15N-cMSD1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $cMSD1_1 >> _Spectral_peak_list.Experiment_ID 2 >> _Spectral_peak_list.Experiment_name '2D 1H-15N HSQC/HMQC' >> _Spectral_peak_list.Number_of_spectral_dimensions 2 >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _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.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 1H . . 4807.69238281 . . . . 25665 2 >> 2 N 15 15N . . 2595.20507812 . . . . 25665 2 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 25665 2 >> 10 1.0 . 25665 2 >> 100 1.0 . 25665 2 >> 101 1.0 . 25665 2 >> 102 1.0 . 25665 2 >> 103 1.0 . 25665 2 >> 104 1.0 . 25665 2 >> 105 1.0 . 25665 2 >> 106 1.0 . 25665 2 >> 107 1.0 . 25665 2 >> 108 1.0 . 25665 2 >> 109 1.0 . 25665 2 >> 11 1.0 . 25665 2 >> 110 1.0 . 25665 2 >> 111 1.0 . 25665 2 >> 112 1.0 . 25665 2 >> 113 1.0 . 25665 2 >> 114 1.0 . 25665 2 >> 115 1.0 . 25665 2 >> 116 1.0 . 25665 2 >> 117 1.0 . 25665 2 >> 118 1.0 . 25665 2 >> 119 1.0 . 25665 2 >> 12 1.0 . 25665 2 >> 120 1.0 . 25665 2 >> 121 1.0 . 25665 2 >> 122 1.0 . 25665 2 >> 123 1.0 . 25665 2 >> 124 1.0 . 25665 2 >> 125 1.0 . 25665 2 >> 126 1.0 . 25665 2 >> 127 1.0 . 25665 2 >> 128 1.0 . 25665 2 >> 129 1.0 . 25665 2 >> 13 1.0 . 25665 2 >> 130 1.0 . 25665 2 >> 131 1.0 . 25665 2 >> 132 1.0 . 25665 2 >> 133 1.0 . 25665 2 >> 134 1.0 . 25665 2 >> 135 1.0 . 25665 2 >> 136 1.0 . 25665 2 >> 137 1.0 . 25665 2 >> 138 1.0 . 25665 2 >> 139 1.0 . 25665 2 >> 14 1.0 . 25665 2 >> 140 1.0 . 25665 2 >> 141 1.0 . 25665 2 >> 142 1.0 . 25665 2 >> 143 1.0 . 25665 2 >> 144 1.0 . 25665 2 >> 145 1.0 . 25665 2 >> 146 1.0 . 25665 2 >> 147 1.0 . 25665 2 >> 148 1.0 . 25665 2 >> 149 1.0 . 25665 2 >> 15 1.0 . 25665 2 >> 150 1.0 . 25665 2 >> 151 1.0 . 25665 2 >> 152 1.0 . 25665 2 >> 153 1.0 . 25665 2 >> 154 1.0 . 25665 2 >> 155 1.0 . 25665 2 >> 156 1.0 . 25665 2 >> 157 1.0 . 25665 2 >> 158 1.0 . 25665 2 >> 159 1.0 . 25665 2 >> 16 1.0 . 25665 2 >> 160 1.0 . 25665 2 >> 161 1.0 . 25665 2 >> 162 1.0 . 25665 2 >> 163 1.0 . 25665 2 >> 164 1.0 . 25665 2 >> 165 1.0 . 25665 2 >> 166 1.0 . 25665 2 >> 167 1.0 . 25665 2 >> 168 1.0 . 25665 2 >> 169 1.0 . 25665 2 >> 17 1.0 . 25665 2 >> 170 1.0 . 25665 2 >> 18 1.0 . 25665 2 >> 19 1.0 . 25665 2 >> 2 1.0 . 25665 2 >> 20 1.0 . 25665 2 >> 21 1.0 . 25665 2 >> 22 1.0 . 25665 2 >> 23 1.0 . 25665 2 >> 24 1.0 . 25665 2 >> 25 1.0 . 25665 2 >> 26 1.0 . 25665 2 >> 27 1.0 . 25665 2 >> 28 1.0 . 25665 2 >> 29 1.0 . 25665 2 >> 3 1.0 . 25665 2 >> 30 1.0 . 25665 2 >> 31 1.0 . 25665 2 >> 32 1.0 . 25665 2 >> 33 1.0 . 25665 2 >> 34 1.0 . 25665 2 >> 35 1.0 . 25665 2 >> 36 1.0 . 25665 2 >> 37 1.0 . 25665 2 >> 38 1.0 . 25665 2 >> 39 1.0 . 25665 2 >> 4 1.0 . 25665 2 >> 40 1.0 . 25665 2 >> 41 1.0 . 25665 2 >> 42 1.0 . 25665 2 >> 43 1.0 . 25665 2 >> 44 1.0 . 25665 2 >> 45 1.0 . 25665 2 >> 46 1.0 . 25665 2 >> 47 1.0 . 25665 2 >> 48 1.0 . 25665 2 >> 49 1.0 . 25665 2 >> 5 1.0 . 25665 2 >> 50 1.0 . 25665 2 >> 51 1.0 . 25665 2 >> 52 1.0 . 25665 2 >> 53 1.0 . 25665 2 >> 54 1.0 . 25665 2 >> 55 1.0 . 25665 2 >> 56 1.0 . 25665 2 >> 57 1.0 . 25665 2 >> 58 1.0 . 25665 2 >> 59 1.0 . 25665 2 >> 6 1.0 . 25665 2 >> 60 1.0 . 25665 2 >> 61 1.0 . 25665 2 >> 62 1.0 . 25665 2 >> 63 1.0 . 25665 2 >> 64 1.0 . 25665 2 >> 65 1.0 . 25665 2 >> 66 1.0 . 25665 2 >> 67 1.0 . 25665 2 >> 68 1.0 . 25665 2 >> 69 1.0 . 25665 2 >> 7 1.0 . 25665 2 >> 70 1.0 . 25665 2 >> 71 1.0 . 25665 2 >> 72 1.0 . 25665 2 >> 73 1.0 . 25665 2 >> 74 1.0 . 25665 2 >> 75 1.0 . 25665 2 >> 76 1.0 . 25665 2 >> 77 1.0 . 25665 2 >> 78 1.0 . 25665 2 >> 79 1.0 . 25665 2 >> 8 1.0 . 25665 2 >> 80 1.0 . 25665 2 >> 81 1.0 . 25665 2 >> 82 1.0 . 25665 2 >> 83 1.0 . 25665 2 >> 84 1.0 . 25665 2 >> 85 1.0 . 25665 2 >> 86 1.0 . 25665 2 >> 87 1.0 . 25665 2 >> 88 1.0 . 25665 2 >> 89 1.0 . 25665 2 >> 9 1.0 . 25665 2 >> 90 1.0 . 25665 2 >> 91 1.0 . 25665 2 >> 92 1.0 . 25665 2 >> 93 1.0 . 25665 2 >> 94 1.0 . 25665 2 >> 95 1.0 . 25665 2 >> 96 1.0 . 25665 2 >> 97 1.0 . 25665 2 >> 98 1.0 . 25665 2 >> 99 1.0 . 25665 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 728172.312500 . height 25665 2 >> 1 5608720.968750 . volume 25665 2 >> 2 1391273.750000 . height 25665 2 >> 2 10585496.062500 . volume 25665 2 >> 3 1043207.187500 . height 25665 2 >> 3 8074194.375000 . volume 25665 2 >> 4 1509086.375000 . height 25665 2 >> 4 11749402.250000 . volume 25665 2 >> 5 1339803.000000 . height 25665 2 >> 5 10717674.687500 . volume 25665 2 >> 6 1502716.500000 . height 25665 2 >> 6 11525935.125000 . volume 25665 2 >> 7 1201639.750000 . height 25665 2 >> 7 9349647.250000 . volume 25665 2 >> 8 1868568.125000 . height 25665 2 >> 8 14129446.750000 . volume 25665 2 >> 9 1344348.000000 . height 25665 2 >> 9 10379264.562500 . volume 25665 2 >> 10 1422074.750000 . height 25665 2 >> 10 10788902.000000 . volume 25665 2 >> 11 724332.937500 . height 25665 2 >> 11 5738409.531250 . volume 25665 2 >> 12 1035532.437500 . height 25665 2 >> 12 8879842.187500 . volume 25665 2 >> 13 906369.625000 . height 25665 2 >> 13 7158152.000000 . volume 25665 2 >> 14 1911290.875000 . height 25665 2 >> 14 14842290.375000 . volume 25665 2 >> 15 1974508.500000 . height 25665 2 >> 15 14925647.375000 . volume 25665 2 >> 16 1543863.500000 . height 25665 2 >> 16 12228382.000000 . volume 25665 2 >> 17 1190018.750000 . height 25665 2 >> 17 9140487.312500 . volume 25665 2 >> 18 1738227.250000 . height 25665 2 >> 18 13206531.625000 . volume 25665 2 >> 19 1344380.875000 . height 25665 2 >> 19 10440209.562500 . volume 25665 2 >> 20 2724921.750000 . height 25665 2 >> 20 20990529.500000 . volume 25665 2 >> 21 2146615.000000 . height 25665 2 >> 21 17073653.375000 . volume 25665 2 >> 22 1146849.375000 . height 25665 2 >> 22 9625458.375000 . volume 25665 2 >> 23 1010990.437500 . height 25665 2 >> 23 7734113.625000 . volume 25665 2 >> 24 2631230.000000 . height 25665 2 >> 24 20224216.875000 . volume 25665 2 >> 25 2431940.750000 . height 25665 2 >> 25 18854013.625000 . volume 25665 2 >> 26 1210592.625000 . height 25665 2 >> 26 9330132.562500 . volume 25665 2 >> 27 2180482.000000 . height 25665 2 >> 27 16914937.625000 . volume 25665 2 >> 28 1980435.000000 . height 25665 2 >> 28 15514919.250000 . volume 25665 2 >> 29 1807673.375000 . height 25665 2 >> 29 13796306.250000 . volume 25665 2 >> 30 1561244.625000 . height 25665 2 >> 30 13100365.250000 . volume 25665 2 >> 31 2050284.875000 . height 25665 2 >> 31 16939972.875000 . volume 25665 2 >> 32 1629338.625000 . height 25665 2 >> 32 12972678.937500 . volume 25665 2 >> 33 1500785.875000 . height 25665 2 >> 33 12149474.187500 . volume 25665 2 >> 34 1021135.812500 . height 25665 2 >> 34 7835314.312500 . volume 25665 2 >> 35 1267825.000000 . height 25665 2 >> 35 9817502.750000 . volume 25665 2 >> 36 747432.375000 . height 25665 2 >> 36 5880378.062500 . volume 25665 2 >> 37 946416.437500 . height 25665 2 >> 37 7300147.125000 . volume 25665 2 >> 38 958253.750000 . height 25665 2 >> 38 7408983.750000 . volume 25665 2 >> 39 1105070.750000 . height 25665 2 >> 39 8460602.687500 . volume 25665 2 >> 40 1311053.375000 . height 25665 2 >> 40 9893277.750000 . volume 25665 2 >> 41 781518.125000 . height 25665 2 >> 41 6022749.250000 . volume 25665 2 >> 42 2189683.250000 . height 25665 2 >> 42 16470530.125000 . volume 25665 2 >> 43 1049927.500000 . height 25665 2 >> 43 8191614.875000 . volume 25665 2 >> 44 1125109.250000 . height 25665 2 >> 44 9093732.687500 . volume 25665 2 >> 45 1364227.875000 . height 25665 2 >> 45 10454611.937500 . volume 25665 2 >> 46 922741.562500 . height 25665 2 >> 46 7155281.312500 . volume 25665 2 >> 47 1346745.375000 . height 25665 2 >> 47 10834999.062500 . volume 25665 2 >> 48 1724789.000000 . height 25665 2 >> 48 13411862.250000 . volume 25665 2 >> 49 1143654.750000 . height 25665 2 >> 49 8887385.062500 . volume 25665 2 >> 50 1049608.125000 . height 25665 2 >> 50 8109139.187500 . volume 25665 2 >> 51 1382179.000000 . height 25665 2 >> 51 10642018.875000 . volume 25665 2 >> 52 1511952.875000 . height 25665 2 >> 52 11575324.062500 . volume 25665 2 >> 53 1601328.125000 . height 25665 2 >> 53 12351598.875000 . volume 25665 2 >> 54 1663327.250000 . height 25665 2 >> 54 12828532.125000 . volume 25665 2 >> 55 1605587.875000 . height 25665 2 >> 55 12128684.125000 . volume 25665 2 >> 56 1080359.250000 . height 25665 2 >> 56 8315226.062500 . volume 25665 2 >> 57 1309107.000000 . height 25665 2 >> 57 10032276.437500 . volume 25665 2 >> 58 981182.937500 . height 25665 2 >> 58 7539608.125000 . volume 25665 2 >> 59 1325450.750000 . height 25665 2 >> 59 10119561.625000 . volume 25665 2 >> 60 622625.125000 . height 25665 2 >> 60 4812179.375000 . volume 25665 2 >> 61 1343978.000000 . height 25665 2 >> 61 10358183.125000 . volume 25665 2 >> 62 1152115.750000 . height 25665 2 >> 62 8877583.187500 . volume 25665 2 >> 63 1329119.500000 . height 25665 2 >> 63 10221411.312500 . volume 25665 2 >> 64 1226168.625000 . height 25665 2 >> 64 9995918.562500 . volume 25665 2 >> 65 1127115.750000 . height 25665 2 >> 65 8612732.375000 . volume 25665 2 >> 66 1501276.375000 . height 25665 2 >> 66 11733704.187500 . volume 25665 2 >> 67 1699187.125000 . height 25665 2 >> 67 13047710.625000 . volume 25665 2 >> 68 888018.875000 . height 25665 2 >> 68 6836161.625000 . volume 25665 2 >> 69 1092772.375000 . height 25665 2 >> 69 8491044.625000 . volume 25665 2 >> 70 1371291.375000 . height 25665 2 >> 70 10830988.125000 . volume 25665 2 >> 71 1402692.000000 . height 25665 2 >> 71 10646573.687500 . volume 25665 2 >> 72 1579916.125000 . height 25665 2 >> 72 11879818.375000 . volume 25665 2 >> 73 1352288.500000 . height 25665 2 >> 73 10288378.687500 . volume 25665 2 >> 74 1684649.375000 . height 25665 2 >> 74 12855274.375000 . volume 25665 2 >> 75 977552.625000 . height 25665 2 >> 75 7626851.875000 . volume 25665 2 >> 76 1853683.125000 . height 25665 2 >> 76 14263490.875000 . volume 25665 2 >> 77 1963299.875000 . height 25665 2 >> 77 14797081.250000 . volume 25665 2 >> 78 1266506.000000 . height 25665 2 >> 78 9842420.625000 . volume 25665 2 >> 79 1334312.375000 . height 25665 2 >> 79 10114890.250000 . volume 25665 2 >> 80 1857632.000000 . height 25665 2 >> 80 13944486.000000 . volume 25665 2 >> 81 759393.562500 . height 25665 2 >> 81 5915516.937500 . volume 25665 2 >> 82 665219.812500 . height 25665 2 >> 82 5118475.843750 . volume 25665 2 >> 83 873754.187500 . height 25665 2 >> 83 6761946.562500 . volume 25665 2 >> 84 787112.687500 . height 25665 2 >> 84 6188477.250000 . volume 25665 2 >> 85 652927.937500 . height 25665 2 >> 85 5100267.312500 . volume 25665 2 >> 86 796775.687500 . height 25665 2 >> 86 6412424.625000 . volume 25665 2 >> 87 674879.937500 . height 25665 2 >> 87 5531531.125000 . volume 25665 2 >> 88 701230.187500 . height 25665 2 >> 88 5530134.437500 . volume 25665 2 >> 89 242313.328125 . height 25665 2 >> 89 1874285.609380 . volume 25665 2 >> 90 1843818.250000 . height 25665 2 >> 90 14081764.000000 . volume 25665 2 >> 91 1078165.750000 . height 25665 2 >> 91 8401881.937500 . volume 25665 2 >> 92 1506469.000000 . height 25665 2 >> 92 11476827.062500 . volume 25665 2 >> 93 753740.000000 . height 25665 2 >> 93 6491891.218750 . volume 25665 2 >> 94 833522.375000 . height 25665 2 >> 94 6564131.125000 . volume 25665 2 >> 95 1492643.875000 . height 25665 2 >> 95 11442469.875000 . volume 25665 2 >> 96 911057.500000 . height 25665 2 >> 96 7429439.468750 . volume 25665 2 >> 97 1595308.125000 . height 25665 2 >> 97 12237579.500000 . volume 25665 2 >> 98 543310.750000 . height 25665 2 >> 98 5296343.968750 . volume 25665 2 >> 99 847709.687500 . height 25665 2 >> 99 6617069.500000 . volume 25665 2 >> 100 1215380.875000 . height 25665 2 >> 100 10100296.500000 . volume 25665 2 >> 101 1303735.500000 . height 25665 2 >> 101 10020122.437500 . volume 25665 2 >> 102 1601878.125000 . height 25665 2 >> 102 12259053.250000 . volume 25665 2 >> 103 1270582.250000 . height 25665 2 >> 103 9866419.000000 . volume 25665 2 >> 104 1071795.875000 . height 25665 2 >> 104 8336024.062500 . volume 25665 2 >> 105 776839.750000 . height 25665 2 >> 105 6063115.250000 . volume 25665 2 >> 106 1074848.250000 . height 25665 2 >> 106 8299627.250000 . volume 25665 2 >> 107 1365652.625000 . height 25665 2 >> 107 10626542.062500 . volume 25665 2 >> 108 1646013.375000 . height 25665 2 >> 108 12705172.250000 . volume 25665 2 >> 109 1115510.625000 . height 25665 2 >> 109 8627609.187500 . volume 25665 2 >> 110 890852.312500 . height 25665 2 >> 110 7071513.625000 . volume 25665 2 >> 111 1079542.625000 . height 25665 2 >> 111 8241534.500000 . volume 25665 2 >> 112 1135696.500000 . height 25665 2 >> 112 8817141.875000 . volume 25665 2 >> 113 1027310.375000 . height 25665 2 >> 113 8058558.187500 . volume 25665 2 >> 114 702646.562500 . height 25665 2 >> 114 5509663.375000 . volume 25665 2 >> 115 1192776.625000 . height 25665 2 >> 115 9146535.625000 . volume 25665 2 >> 116 1256143.875000 . height 25665 2 >> 116 9621684.562500 . volume 25665 2 >> 117 1324283.250000 . height 25665 2 >> 117 10129470.500000 . volume 25665 2 >> 118 1039761.687500 . height 25665 2 >> 118 8569913.375000 . volume 25665 2 >> 119 336772.125000 . height 25665 2 >> 119 2607172.875000 . volume 25665 2 >> 120 1705683.000000 . height 25665 2 >> 120 13105977.000000 . volume 25665 2 >> 121 1184271.125000 . height 25665 2 >> 121 9101421.312500 . volume 25665 2 >> 122 947551.687500 . height 25665 2 >> 122 7314176.062500 . volume 25665 2 >> 123 716488.937500 . height 25665 2 >> 123 5664495.312500 . volume 25665 2 >> 124 1562533.500000 . height 25665 2 >> 124 11922160.625000 . volume 25665 2 >> 125 1378227.250000 . height 25665 2 >> 125 10507860.250000 . volume 25665 2 >> 126 140953.968750 . height 25665 2 >> 126 1127396.687500 . volume 25665 2 >> 127 1732880.500000 . height 25665 2 >> 127 13300723.875000 . volume 25665 2 >> 128 1451737.375000 . height 25665 2 >> 128 11064805.812500 . volume 25665 2 >> 129 1494308.000000 . height 25665 2 >> 129 11359609.625000 . volume 25665 2 >> 130 989229.437500 . height 25665 2 >> 130 7752889.000000 . volume 25665 2 >> 131 972454.375000 . height 25665 2 >> 131 7631424.562500 . volume 25665 2 >> 132 1183224.875000 . height 25665 2 >> 132 9131165.875000 . volume 25665 2 >> 133 1146760.750000 . height 25665 2 >> 133 8801676.062500 . volume 25665 2 >> 134 1184961.750000 . height 25665 2 >> 134 9245902.750000 . volume 25665 2 >> 135 947141.125000 . height 25665 2 >> 135 7338914.937500 . volume 25665 2 >> 136 1827627.625000 . height 25665 2 >> 136 13941720.875000 . volume 25665 2 >> 137 950309.562500 . height 25665 2 >> 137 7300317.687500 . volume 25665 2 >> 138 1327354.875000 . height 25665 2 >> 138 10203172.062500 . volume 25665 2 >> 139 1417288.500000 . height 25665 2 >> 139 10861473.375000 . volume 25665 2 >> 140 1263866.000000 . height 25665 2 >> 140 9593666.125000 . volume 25665 2 >> 141 1443516.875000 . height 25665 2 >> 141 11133232.562500 . volume 25665 2 >> 142 1425626.500000 . height 25665 2 >> 142 10978613.062500 . volume 25665 2 >> 143 1530336.875000 . height 25665 2 >> 143 11709320.875000 . volume 25665 2 >> 144 1063863.375000 . height 25665 2 >> 144 8217952.062500 . volume 25665 2 >> 145 888831.500000 . height 25665 2 >> 145 7399025.500000 . volume 25665 2 >> 146 979204.937500 . height 25665 2 >> 146 7679398.312500 . volume 25665 2 >> 147 640000.750000 . height 25665 2 >> 147 4961015.031250 . volume 25665 2 >> 148 1216200.250000 . height 25665 2 >> 148 9553408.312500 . volume 25665 2 >> 149 1038911.000000 . height 25665 2 >> 149 8169159.187500 . volume 25665 2 >> 150 1004110.937500 . height 25665 2 >> 150 7787816.187500 . volume 25665 2 >> 151 709420.125000 . height 25665 2 >> 151 5571689.562500 . volume 25665 2 >> 152 1666443.875000 . height 25665 2 >> 152 13616595.125000 . volume 25665 2 >> 153 1312356.000000 . height 25665 2 >> 153 10169647.562500 . volume 25665 2 >> 154 1651958.000000 . height 25665 2 >> 154 12749115.625000 . volume 25665 2 >> 155 1225511.250000 . height 25665 2 >> 155 9396597.125000 . volume 25665 2 >> 156 726615.312500 . height 25665 2 >> 156 5770337.875000 . volume 25665 2 >> 157 639166.375000 . height 25665 2 >> 157 5183638.875000 . volume 25665 2 >> 158 263498.062500 . height 25665 2 >> 158 2166576.296880 . volume 25665 2 >> 159 669729.125000 . height 25665 2 >> 159 5358040.250000 . volume 25665 2 >> 160 519800.187500 . height 25665 2 >> 160 4238602.187500 . volume 25665 2 >> 161 257123.468750 . height 25665 2 >> 161 2158995.250000 . volume 25665 2 >> 162 522166.000000 . height 25665 2 >> 162 4167361.062500 . volume 25665 2 >> 163 469222.500000 . height 25665 2 >> 163 3787455.843750 . volume 25665 2 >> 164 533200.750000 . height 25665 2 >> 164 4113838.687500 . volume 25665 2 >> 165 496075.156250 . height 25665 2 >> 165 3944282.250000 . volume 25665 2 >> 166 447443.906250 . height 25665 2 >> 166 3584562.437500 . volume 25665 2 >> 167 612488.125000 . height 25665 2 >> 167 5182930.906250 . volume 25665 2 >> 168 490516.812500 . height 25665 2 >> 168 3875164.218750 . volume 25665 2 >> 169 344693.531250 . height 25665 2 >> 169 2698753.015620 . volume 25665 2 >> 170 534168.000000 . height 25665 2 >> 170 5304500.250000 . volume 25665 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 6.334 . 31.2431505390 . . . . . . . . . . . 25665 2 >> 1 2 125.725 . 25.6310953192 . . . . . . . . . . . 25665 2 >> 2 1 7.797 . 31.3031850259 . . . . . . . . . . . 25665 2 >> 2 2 118.245 . 24.8684053503 . . . . . . . . . . . 25665 2 >> 3 1 9.008 . 31.5878831774 . . . . . . . . . . . 25665 2 >> 3 2 122.043 . 25.8978982095 . . . . . . . . . . . 25665 2 >> 4 1 7.624 . 31.5360156732 . . . . . . . . . . . 25665 2 >> 4 2 121.072 . 26.5940607045 . . . . . . . . . . . 25665 2 >> 5 1 8.442 . 38.8672438147 . . . . . . . . . . . 25665 2 >> 5 2 118.573 . 30.0737841882 . . . . . . . . . . . 25665 2 >> 6 1 7.735 . 29.9126487601 . . . . . . . . . . . 25665 2 >> 6 2 122.298 . 25.6341642950 . . . . . . . . . . . 25665 2 >> 7 1 7.680 . 32.8481775611 . . . . . . . . . . . 25665 2 >> 7 2 125.467 . 26.2945385730 . . . . . . . . . . . 25665 2 >> 8 1 7.968 . 28.6441873936 . . . . . . . . . . . 25665 2 >> 8 2 122.179 . 24.2330283746 . . . . . . . . . . . 25665 2 >> 9 1 8.295 . 30.2007856411 . . . . . . . . . . . 25665 2 >> 9 2 115.530 . 25.8888892807 . . . . . . . . . . . 25665 2 >> 10 1 7.237 . 29.2329265504 . . . . . . . . . . . 25665 2 >> 10 2 119.821 . 24.2083775695 . . . . . . . . . . . 25665 2 >> 11 1 7.700 . 41.4050262300 . . . . . . . . . . . 25665 2 >> 11 2 110.267 . 27.5415822119 . . . . . . . . . . . 25665 2 >> 12 1 7.553 . 36.3152766400 . . . . . . . . . . . 25665 2 >> 12 2 112.564 . 88.0180259876 . . . . . . . . . . . 25665 2 >> 13 1 7.559 . 34.1958729879 . . . . . . . . . . . 25665 2 >> 13 2 105.209 . 28.9727148950 . . . . . . . . . . . 25665 2 >> 14 1 7.721 . 36.4321934450 . . . . . . . . . . . 25665 2 >> 14 2 114.865 . 26.6637561534 . . . . . . . . . . . 25665 2 >> 15 1 8.174 . 28.3018905220 . . . . . . . . . . . 25665 2 >> 15 2 113.345 . 24.1219512530 . . . . . . . . . . . 25665 2 >> 16 1 8.463 . 30.2719959991 . . . . . . . . . . . 25665 2 >> 16 2 125.273 . 40.9640940718 . . . . . . . . . . . 25665 2 >> 17 1 8.610 . 30.9148951464 . . . . . . . . . . . 25665 2 >> 17 2 124.290 . 25.3233067531 . . . . . . . . . . . 25665 2 >> 18 1 9.952 . 27.9344479405 . . . . . . . . . . . 25665 2 >> 18 2 118.419 . 24.8085108239 . . . . . . . . . . . 25665 2 >> 19 1 8.151 . 32.1856489992 . . . . . . . . . . . 25665 2 >> 19 2 121.451 . 26.2083597545 . . . . . . . . . . . 25665 2 >> 20 1 8.676 . 32.8765470800 . . . . . . . . . . . 25665 2 >> 20 2 121.005 . 24.8680093534 . . . . . . . . . . . 25665 2 >> 21 1 8.688 . 36.8676225756 . . . . . . . . . . . 25665 2 >> 21 2 121.035 . 26.5242662564 . . . . . . . . . . . 25665 2 >> 22 1 8.483 . 33.2389032074 . . . . . . . . . . . 25665 2 >> 22 2 120.159 . 51.2938703880 . . . . . . . . . . . 25665 2 >> 23 1 9.317 . 31.0601098301 . . . . . . . . . . . 25665 2 >> 23 2 115.395 . 24.8091048192 . . . . . . . . . . . 25665 2 >> 24 1 8.587 . 31.2166436653 . . . . . . . . . . . 25665 2 >> 24 2 120.775 . 25.2332174655 . . . . . . . . . . . 25665 2 >> 25 1 8.593 . 33.0017741481 . . . . . . . . . . . 25665 2 >> 25 2 120.829 . 25.3040019058 . . . . . . . . . . . 25665 2 >> 26 1 8.881 . 29.4150359367 . . . . . . . . . . . 25665 2 >> 26 2 119.828 . 26.4271480244 . . . . . . . . . . . 25665 2 >> 27 1 8.517 . 30.8750631957 . . . . . . . . . . . 25665 2 >> 27 2 117.876 . 26.3688374855 . . . . . . . . . . . 25665 2 >> 28 1 8.522 . 32.7177923986 . . . . . . . . . . . 25665 2 >> 28 2 117.947 . 26.8422517419 . . . . . . . . . . . 25665 2 >> 29 1 7.906 . 28.7076606101 . . . . . . . . . . . 25665 2 >> 29 2 120.574 . 25.1117454261 . . . . . . . . . . . 25665 2 >> 30 1 7.654 . 54.2740417671 . . . . . . . . . . . 25665 2 >> 30 2 124.608 . 41.9377513725 . . . . . . . . . . . 25665 2 >> 31 1 7.662 . 32.3621704500 . . . . . . . . . . . 25665 2 >> 31 2 124.470 . 36.2566317966 . . . . . . . . . . . 25665 2 >> 32 1 8.862 . 43.3676811264 . . . . . . . . . . . 25665 2 >> 32 2 118.664 . 26.1899459001 . . . . . . . . . . . 25665 2 >> 33 1 8.836 . 39.4018229809 . . . . . . . . . . . 25665 2 >> 33 2 118.776 . 28.7895663433 . . . . . . . . . . . 25665 2 >> 34 1 8.803 . 32.7882863546 . . . . . . . . . . . 25665 2 >> 34 2 115.769 . 24.5595277928 . . . . . . . . . . . 25665 2 >> 35 1 8.908 . 31.7277248462 . . . . . . . . . . . 25665 2 >> 35 2 111.978 . 26.1787589885 . . . . . . . . . . . 25665 2 >> 36 1 8.701 . 35.0344931593 . . . . . . . . . . . 25665 2 >> 36 2 111.844 . 27.5368302494 . . . . . . . . . . . 25665 2 >> 37 1 8.548 . 33.9405473180 . . . . . . . . . . . 25665 2 >> 37 2 117.199 . 25.0076972488 . . . . . . . . . . . 25665 2 >> 38 1 8.257 . 35.0928082814 . . . . . . . . . . . 25665 2 >> 38 2 114.247 . 24.5988304820 . . . . . . . . . . . 25665 2 >> 39 1 9.039 . 30.9975679363 . . . . . . . . . . . 25665 2 >> 39 2 109.458 . 24.9367148101 . . . . . . . . . . . 25665 2 >> 40 1 6.676 . 32.7269623441 . . . . . . . . . . . 25665 2 >> 40 2 111.920 . 22.9850442432 . . . . . . . . . . . 25665 2 >> 41 1 7.088 . 33.5786210318 . . . . . . . . . . . 25665 2 >> 41 2 126.569 . 24.8681578523 . . . . . . . . . . . 25665 2 >> 42 1 7.736 . 27.1116602531 . . . . . . . . . . . 25665 2 >> 42 2 118.971 . 23.9165278774 . . . . . . . . . . . 25665 2 >> 43 1 7.814 . 32.7735284736 . . . . . . . . . . . 25665 2 >> 43 2 121.183 . 26.6208894923 . . . . . . . . . . . 25665 2 >> 44 1 7.439 . 31.1674984887 . . . . . . . . . . . 25665 2 >> 44 2 120.998 . 59.0890687466 . . . . . . . . . . . 25665 2 >> 45 1 8.160 . 30.6122869451 . . . . . . . . . . . 25665 2 >> 45 2 119.916 . 24.8579114333 . . . . . . . . . . . 25665 2 >> 46 1 7.502 . 36.9219258465 . . . . . . . . . . . 25665 2 >> 46 2 124.406 . 24.8007888850 . . . . . . . . . . . 25665 2 >> 47 1 7.992 . 74.5105353865 . . . . . . . . . . . 25665 2 >> 47 2 124.050 . 29.6629374370 . . . . . . . . . . . 25665 2 >> 48 1 7.951 . 31.7317366973 . . . . . . . . . . . 25665 2 >> 48 2 120.986 . 26.9750096921 . . . . . . . . . . . 25665 2 >> 49 1 7.977 . 34.1729481241 . . . . . . . . . . . 25665 2 >> 49 2 120.515 . 27.4096162554 . . . . . . . . . . . 25665 2 >> 50 1 7.791 . 30.8825137764 . . . . . . . . . . . 25665 2 >> 50 2 125.107 . 25.9512587875 . . . . . . . . . . . 25665 2 >> 51 1 7.519 . 30.6304835557 . . . . . . . . . . . 25665 2 >> 51 2 121.580 . 26.0347151276 . . . . . . . . . . . 25665 2 >> 52 1 8.168 . 29.1190186337 . . . . . . . . . . . 25665 2 >> 52 2 117.652 . 25.3787463147 . . . . . . . . . . . 25665 2 >> 53 1 7.912 . 28.7827395388 . . . . . . . . . . . 25665 2 >> 53 2 118.519 . 26.0851057291 . . . . . . . . . . . 25665 2 >> 54 1 8.335 . 29.2761972307 . . . . . . . . . . . 25665 2 >> 54 2 118.374 . 26.3868553430 . . . . . . . . . . . 25665 2 >> 55 1 8.003 . 29.4031436636 . . . . . . . . . . . 25665 2 >> 55 2 116.646 . 23.4787533391 . . . . . . . . . . . 25665 2 >> 56 1 8.758 . 30.7200338047 . . . . . . . . . . . 25665 2 >> 56 2 122.774 . 25.6054545220 . . . . . . . . . . . 25665 2 >> 57 1 8.868 . 30.1368825835 . . . . . . . . . . . 25665 2 >> 57 2 121.214 . 24.8819682430 . . . . . . . . . . . 25665 2 >> 58 1 8.727 . 33.6032652603 . . . . . . . . . . . 25665 2 >> 58 2 121.341 . 24.8962241303 . . . . . . . . . . . 25665 2 >> 59 1 8.923 . 31.1002999819 . . . . . . . . . . . 25665 2 >> 59 2 123.964 . 24.5884850638 . . . . . . . . . . . 25665 2 >> 60 1 9.201 . 36.1413342364 . . . . . . . . . . . 25665 2 >> 60 2 116.234 . 24.6502110757 . . . . . . . . . . . 25665 2 >> 61 1 8.970 . 29.9388690730 . . . . . . . . . . . 25665 2 >> 61 2 118.092 . 26.3328017704 . . . . . . . . . . . 25665 2 >> 62 1 8.505 . 33.0047830365 . . . . . . . . . . . 25665 2 >> 62 2 119.448 . 25.0360110249 . . . . . . . . . . . 25665 2 >> 63 1 8.616 . 31.1141981805 . . . . . . . . . . . 25665 2 >> 63 2 120.120 . 25.4616086595 . . . . . . . . . . . 25665 2 >> 64 1 7.716 . 32.3276398740 . . . . . . . . . . . 25665 2 >> 64 2 117.411 . 55.6400350202 . . . . . . . . . . . 25665 2 >> 65 1 7.738 . 32.2690381911 . . . . . . . . . . . 25665 2 >> 65 2 114.439 . 60.0274823260 . . . . . . . . . . . 25665 2 >> 66 1 7.688 . 46.8430904683 . . . . . . . . . . . 25665 2 >> 66 2 115.020 . 25.6975237939 . . . . . . . . . . . 25665 2 >> 67 1 7.658 . 30.0160972077 . . . . . . . . . . . 25665 2 >> 67 2 113.829 . 25.4819034990 . . . . . . . . . . . 25665 2 >> 68 1 9.470 . 32.8942422092 . . . . . . . . . . . 25665 2 >> 68 2 115.726 . 25.0385850046 . . . . . . . . . . . 25665 2 >> 69 1 8.703 . 31.1116191333 . . . . . . . . . . . 25665 2 >> 69 2 129.939 . 26.5739143638 . . . . . . . . . . . 25665 2 >> 70 1 7.669 . 33.6992631272 . . . . . . . . . . . 25665 2 >> 70 2 123.444 . 29.4956287600 . . . . . . . . . . . 25665 2 >> 71 1 7.139 . 29.0478082757 . . . . . . . . . . . 25665 2 >> 71 2 122.024 . 24.2374833394 . . . . . . . . . . . 25665 2 >> 72 1 6.294 . 26.9636516016 . . . . . . . . . . . 25665 2 >> 72 2 120.889 . 23.7773349781 . . . . . . . . . . . 25665 2 >> 73 1 6.685 . 29.8269670819 . . . . . . . . . . . 25665 2 >> 73 2 119.775 . 24.2135255288 . . . . . . . . . . . 25665 2 >> 74 1 7.006 . 29.3137366950 . . . . . . . . . . . 25665 2 >> 74 2 120.112 . 24.8892941851 . . . . . . . . . . . 25665 2 >> 75 1 7.353 . 32.4243541429 . . . . . . . . . . . 25665 2 >> 75 2 119.727 . 26.6448473029 . . . . . . . . . . . 25665 2 >> 76 1 7.433 . 28.9549625776 . . . . . . . . . . . 25665 2 >> 76 2 120.619 . 27.1140045930 . . . . . . . . . . . 25665 2 >> 77 1 7.380 . 27.9253496352 . . . . . . . . . . . 25665 2 >> 77 2 117.996 . 24.0789855927 . . . . . . . . . . . 25665 2 >> 78 1 7.512 . 31.4110751658 . . . . . . . . . . . 25665 2 >> 78 2 115.395 . 26.5566390004 . . . . . . . . . . . 25665 2 >> 79 1 7.280 . 29.9977573167 . . . . . . . . . . . 25665 2 >> 79 2 105.535 . 23.7427842513 . . . . . . . . . . . 25665 2 >> 80 1 9.167 . 27.8091492321 . . . . . . . . . . . 25665 2 >> 80 2 117.866 . 23.4459845982 . . . . . . . . . . . 25665 2 >> 81 1 9.166 . 36.3086857417 . . . . . . . . . . . 25665 2 >> 81 2 121.332 . 26.0333291385 . . . . . . . . . . . 25665 2 >> 82 1 9.557 . 33.4766053882 . . . . . . . . . . . 25665 2 >> 82 2 128.775 . 24.8863984580 . . . . . . . . . . . 25665 2 >> 83 1 8.963 . 33.8199052226 . . . . . . . . . . . 25665 2 >> 83 2 127.711 . 25.2642537201 . . . . . . . . . . . 25665 2 >> 84 1 8.149 . 31.9594092503 . . . . . . . . . . . 25665 2 >> 84 2 131.105 . 28.6879188971 . . . . . . . . . . . 25665 2 >> 85 1 8.318 . 37.8606990164 . . . . . . . . . . . 25665 2 >> 85 2 132.348 . 25.6523554011 . . . . . . . . . . . 25665 2 >> 86 1 8.526 . 72.7394463827 . . . . . . . . . . . 25665 2 >> 86 2 126.713 . 29.1071063323 . . . . . . . . . . . 25665 2 >> 87 1 8.545 . 40.5800176964 . . . . . . . . . . . 25665 2 >> 87 2 122.628 . 48.8198799513 . . . . . . . . . . . 25665 2 >> 88 1 8.113 . 38.9300006292 . . . . . . . . . . . 25665 2 >> 88 2 123.452 . 26.9086802166 . . . . . . . . . . . 25665 2 >> 89 1 8.083 . 31.1455765877 . . . . . . . . . . . 25665 2 >> 89 2 121.993 . 26.7415695380 . . . . . . . . . . . 25665 2 >> 90 1 8.037 . 65.3663803649 . . . . . . . . . . . 25665 2 >> 90 2 124.097 . 24.5335404983 . . . . . . . . . . . 25665 2 >> 91 1 8.646 . 31.9632778210 . . . . . . . . . . . 25665 2 >> 91 2 115.570 . 27.1006396987 . . . . . . . . . . . 25665 2 >> 92 1 7.804 . 29.7888544959 . . . . . . . . . . . 25665 2 >> 92 2 118.700 . 25.9217570208 . . . . . . . . . . . 25665 2 >> 93 1 7.970 . 46.1961794699 . . . . . . . . . . . 25665 2 >> 93 2 120.899 . 68.0494878910 . . . . . . . . . . . 25665 2 >> 94 1 8.008 . 35.9550697186 . . . . . . . . . . . 25665 2 >> 94 2 119.771 . 27.7906642422 . . . . . . . . . . . 25665 2 >> 95 1 7.798 . 30.2476383314 . . . . . . . . . . . 25665 2 >> 95 2 119.607 . 24.8912741695 . . . . . . . . . . . 25665 2 >> 96 1 8.167 . 39.0317297120 . . . . . . . . . . . 25665 2 >> 96 2 121.515 . 29.7533237223 . . . . . . . . . . . 25665 2 >> 97 1 7.874 . 30.4437891967 . . . . . . . . . . . 25665 2 >> 97 2 120.174 . 25.4035951182 . . . . . . . . . . . 25665 2 >> 98 1 7.940 . 35.8776983035 . . . . . . . . . . . 25665 2 >> 98 2 121.177 . 46.7084246479 . . . . . . . . . . . 25665 2 >> 99 1 7.823 . 35.3816615645 . . . . . . . . . . . 25665 2 >> 99 2 117.101 . 25.9839285292 . . . . . . . . . . . 25665 2 >> 100 1 8.476 . 32.8071993672 . . . . . . . . . . . 25665 2 >> 100 2 125.050 . 48.0958986763 . . . . . . . . . . . 25665 2 >> 101 1 8.948 . 32.7925847666 . . . . . . . . . . . 25665 2 >> 101 2 117.685 . 25.0330410484 . . . . . . . . . . . 25665 2 >> 102 1 8.242 . 29.3866664178 . . . . . . . . . . . 25665 2 >> 102 2 117.230 . 25.2743021406 . . . . . . . . . . . 25665 2 >> 103 1 8.518 . 30.9236352507 . . . . . . . . . . . 25665 2 >> 103 2 126.099 . 26.6419268260 . . . . . . . . . . . 25665 2 >> 104 1 8.976 . 33.2376136838 . . . . . . . . . . . 25665 2 >> 104 2 123.645 . 26.3728469538 . . . . . . . . . . . 25665 2 >> 105 1 7.882 . 38.2703376753 . . . . . . . . . . . 25665 2 >> 105 2 118.173 . 27.7827443048 . . . . . . . . . . . 25665 2 >> 106 1 9.141 . 34.8104026163 . . . . . . . . . . . 25665 2 >> 106 2 128.804 . 24.7189660320 . . . . . . . . . . . 25665 2 >> 107 1 8.487 . 53.0511435673 . . . . . . . . . . . 25665 2 >> 107 2 126.672 . 25.6203044046 . . . . . . . . . . . 25665 2 >> 108 1 7.702 . 29.7832665604 . . . . . . . . . . . 25665 2 >> 108 2 117.760 . 31.2374209866 . . . . . . . . . . . 25665 2 >> 109 1 7.428 . 32.2254809500 . . . . . . . . . . . 25665 2 >> 109 2 116.032 . 25.8231538005 . . . . . . . . . . . 25665 2 >> 110 1 8.032 . 32.4914093693 . . . . . . . . . . . 25665 2 >> 110 2 115.751 . 30.1678334445 . . . . . . . . . . . 25665 2 >> 111 1 8.414 . 31.1275232575 . . . . . . . . . . . 25665 2 >> 111 2 109.419 . 24.5510138601 . . . . . . . . . . . 25665 2 >> 112 1 7.539 . 32.0097006701 . . . . . . . . . . . 25665 2 >> 112 2 107.081 . 26.3963592678 . . . . . . . . . . . 25665 2 >> 113 1 8.525 . 31.0110362937 . . . . . . . . . . . 25665 2 >> 113 2 122.924 . 31.2667247549 . . . . . . . . . . . 25665 2 >> 114 1 8.045 . 38.2850955563 . . . . . . . . . . . 25665 2 >> 114 2 110.079 . 26.1945988633 . . . . . . . . . . . 25665 2 >> 115 1 8.760 . 31.3066237555 . . . . . . . . . . . 25665 2 >> 115 2 114.087 . 24.7604962036 . . . . . . . . . . . 25665 2 >> 116 1 8.255 . 30.8902509179 . . . . . . . . . . . 25665 2 >> 116 2 109.829 . 24.8090058200 . . . . . . . . . . . 25665 2 >> 117 1 9.070 . 31.2801168818 . . . . . . . . . . . 25665 2 >> 117 2 125.025 . 24.6648629598 . . . . . . . . . . . 25665 2 >> 118 1 8.459 . 41.7044822625 . . . . . . . . . . . 25665 2 >> 118 2 118.723 . 34.8741572287 . . . . . . . . . . . 25665 2 >> 119 1 8.045 . 34.0217873039 . . . . . . . . . . . 25665 2 >> 119 2 123.612 . 77.7301263403 . . . . . . . . . . . 25665 2 >> 120 1 7.546 . 28.8025122338 . . . . . . . . . . . 25665 2 >> 120 2 123.343 . 26.2622153286 . . . . . . . . . . . 25665 2 >> 121 1 8.464 . 31.9518153892 . . . . . . . . . . . 25665 2 >> 121 2 128.339 . 24.9014710888 . . . . . . . . . . . 25665 2 >> 122 1 9.131 . 34.3109271477 . . . . . . . . . . . 25665 2 >> 122 2 129.456 . 24.6343712009 . . . . . . . . . . . 25665 2 >> 123 1 8.659 . 37.2762582716 . . . . . . . . . . . 25665 2 >> 123 2 123.430 . 27.7737353761 . . . . . . . . . . . 25665 2 >> 124 1 7.912 . 30.3065265751 . . . . . . . . . . . 25665 2 >> 124 2 119.621 . 24.6718919042 . . . . . . . . . . . 25665 2 >> 125 1 7.591 . 30.5167189194 . . . . . . . . . . . 25665 2 >> 125 2 119.758 . 24.3913281228 . . . . . . . . . . . 25665 2 >> 126 1 8.213 . 40.5297262766 . . . . . . . . . . . 25665 2 >> 126 2 124.133 . 28.6684408011 . . . . . . . . . . . 25665 2 >> 127 1 7.665 . 29.7220858303 . . . . . . . . . . . 25665 2 >> 127 2 122.326 . 25.4031991214 . . . . . . . . . . . 25665 2 >> 128 1 8.722 . 31.9482333792 . . . . . . . . . . . 25665 2 >> 128 2 114.610 . 24.2042196024 . . . . . . . . . . . 25665 2 >> 129 1 7.845 . 29.5583163350 . . . . . . . . . . . 25665 2 >> 129 2 119.040 . 24.1565019798 . . . . . . . . . . . 25665 2 >> 130 1 9.058 . 33.0745605905 . . . . . . . . . . . 25665 2 >> 130 2 129.321 . 27.0034719670 . . . . . . . . . . . 25665 2 >> 131 1 8.594 . 36.1244271494 . . . . . . . . . . . 25665 2 >> 131 2 123.635 . 26.6075245980 . . . . . . . . . . . 25665 2 >> 132 1 8.177 . 31.3639359148 . . . . . . . . . . . 25665 2 >> 132 2 122.143 . 25.9458138306 . . . . . . . . . . . 25665 2 >> 133 1 9.053 . 31.1538868508 . . . . . . . . . . . 25665 2 >> 133 2 129.984 . 25.0477671820 . . . . . . . . . . . 25665 2 >> 134 1 7.671 . 34.0889858107 . . . . . . . . . . . 25665 2 >> 134 2 120.130 . 26.5102083676 . . . . . . . . . . . 25665 2 >> 135 1 9.073 . 34.8192860010 . . . . . . . . . . . 25665 2 >> 135 2 116.329 . 25.1285752930 . . . . . . . . . . . 25665 2 >> 136 1 8.312 . 29.7478763020 . . . . . . . . . . . 25665 2 >> 136 2 121.542 . 24.6069484178 . . . . . . . . . . . 25665 2 >> 137 1 8.281 . 32.3479856905 . . . . . . . . . . . 25665 2 >> 137 2 129.685 . 24.5532165927 . . . . . . . . . . . 25665 2 >> 138 1 7.563 . 30.4654245368 . . . . . . . . . . . 25665 2 >> 138 2 118.083 . 25.2648972150 . . . . . . . . . . . 25665 2 >> 139 1 8.751 . 30.5657208157 . . . . . . . . . . . 25665 2 >> 139 2 127.991 . 24.9358733168 . . . . . . . . . . . 25665 2 >> 140 1 9.099 . 32.6303913557 . . . . . . . . . . . 25665 2 >> 140 2 125.858 . 23.3886145519 . . . . . . . . . . . 25665 2 >> 141 1 6.884 . 30.5247426218 . . . . . . . . . . . 25665 2 >> 141 2 115.773 . 25.8535465602 . . . . . . . . . . . 25665 2 >> 142 1 8.092 . 29.6829702815 . . . . . . . . . . . 25665 2 >> 142 2 118.202 . 25.8765143786 . . . . . . . . . . . 25665 2 >> 143 1 8.991 . 29.7580492103 . . . . . . . . . . . 25665 2 >> 143 2 119.610 . 24.9363188133 . . . . . . . . . . . 25665 2 >> 144 1 8.363 . 32.6018785564 . . . . . . . . . . . 25665 2 >> 144 2 116.784 . 25.2528193105 . . . . . . . . . . . 25665 2 >> 145 1 7.969 . 88.7192226481 . . . . . . . . . . . 25665 2 >> 145 2 124.189 . 32.9124877408 . . . . . . . . . . . 25665 2 >> 146 1 7.436 . 79.5495637155 . . . . . . . . . . . 25665 2 >> 146 2 117.912 . 27.2696313623 . . . . . . . . . . . 25665 2 >> 147 1 9.756 . 34.5707661501 . . . . . . . . . . . 25665 2 >> 147 2 131.069 . 25.1343914970 . . . . . . . . . . . 25665 2 >> 148 1 8.332 . 31.3213816365 . . . . . . . . . . . 25665 2 >> 148 2 123.940 . 28.3801550807 . . . . . . . . . . . 25665 2 >> 149 1 8.985 . 33.3803209605 . . . . . . . . . . . 25665 2 >> 149 2 118.684 . 27.3621956304 . . . . . . . . . . . 25665 2 >> 150 1 8.752 . 32.4143245150 . . . . . . . . . . . 25665 2 >> 150 2 128.847 . 25.7229418430 . . . . . . . . . . . 25665 2 >> 151 1 7.259 . 36.8838132606 . . . . . . . . . . . 25665 2 >> 151 2 122.052 . 26.8531416558 . . . . . . . . . . . 25665 2 >> 152 1 8.477 . 29.3498433554 . . . . . . . . . . . 25665 2 >> 152 2 120.424 . 44.7498241357 . . . . . . . . . . . 25665 2 >> 153 1 8.059 . 31.4431699751 . . . . . . . . . . . 25665 2 >> 153 2 122.516 . 26.0640188958 . . . . . . . . . . . 25665 2 >> 154 1 7.981 . 29.2532723669 . . . . . . . . . . . 25665 2 >> 154 2 121.658 . 26.8456177153 . . . . . . . . . . . 25665 2 >> 155 1 7.377 . 31.1173503493 . . . . . . . . . . . 25665 2 >> 155 2 117.273 . 25.0341300398 . . . . . . . . . . . 25665 2 >> 156 1 8.405 . 85.2812094901 . . . . . . . . . . . 25665 2 >> 156 2 125.348 . 29.3550003720 . . . . . . . . . . . 25665 2 >> 157 1 8.414 . 33.4148515365 . . . . . . . . . . . 25665 2 >> 157 2 124.528 . 36.3596404821 . . . . . . . . . . . 25665 2 >> 158 1 8.752 . 90.0267995633 . . . . . . . . . . . 25665 2 >> 158 2 129.754 . 32.1512580103 . . . . . . . . . . . 25665 2 >> 159 1 8.733 . 32.9013345889 . . . . . . . . . . . 25665 2 >> 159 2 131.284 . 31.8151680430 . . . . . . . . . . . 25665 2 >> 160 1 8.417 . 43.0861351436 . . . . . . . . . . . 25665 2 >> 160 2 118.073 . 71.0231273767 . . . . . . . . . . . 25665 2 >> 161 1 8.583 . 53.6056387089 . . . . . . . . . . . 25665 2 >> 161 2 118.244 . 42.9193286106 . . . . . . . . . . . 25665 2 >> 162 1 9.008 . 38.8053466826 . . . . . . . . . . . 25665 2 >> 162 2 120.361 . 29.8938036114 . . . . . . . . . . . 25665 2 >> 163 1 7.566 . 43.0156411877 . . . . . . . . . . . 25665 2 >> 163 2 128.933 . 30.7648234737 . . . . . . . . . . . 25665 2 >> 164 1 9.348 . 37.1887139482 . . . . . . . . . . . 25665 2 >> 164 2 131.579 . 24.4694013805 . . . . . . . . . . . 25665 2 >> 165 1 7.174 . 40.2864361602 . . . . . . . . . . . 25665 2 >> 165 2 113.122 . 28.3242700227 . . . . . . . . . . . 25665 2 >> 166 1 8.953 . 75.0024169940 . . . . . . . . . . . 25665 2 >> 166 2 111.790 . 28.5822619826 . . . . . . . . . . . 25665 2 >> 167 1 7.601 . 42.0966407128 . . . . . . . . . . . 25665 2 >> 167 2 120.772 . 48.6153475687 . . . . . . . . . . . 25665 2 >> 168 1 8.838 . 37.4241236427 . . . . . . . . . . . 25665 2 >> 168 2 127.278 . 27.3267539106 . . . . . . . . . . . 25665 2 >> 169 1 6.131 . 37.5022114598 . . . . . . . . . . . 25665 2 >> 169 2 109.499 . 25.9663066685 . . . . . . . . . . . 25665 2 >> 170 1 6.982 . 49.9578630477 . . . . . . . . . . . 25665 2 >> 170 2 113.154 . 38.8605587058 . . . . . . . . . . . 25665 2 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Peak_contribution_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.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.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_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 . . 6.334 . 1 1 1 177 HIS H . . . . . . 19 . 25665 2 >> 1 2 . 1 . . 125.725 . 1 1 1 177 HIS N . . . . . . 20 . 25665 2 >> 2 1 . 1 . . 7.797 . 1 1 1 46 ILE H . . . . . . 197 . 25665 2 >> 2 2 . 1 . . 118.245 . 1 1 1 46 ILE N . . . . . . 198 . 25665 2 >> 3 1 . 1 . . 9.008 . 1 1 1 51 ILE H . . . . . . 147 . 25665 2 >> 3 2 . 1 . . 122.043 . 1 1 1 51 ILE N . . . . . . 148 . 25665 2 >> 4 1 . 1 . . 7.624 . 1 1 1 34 ASP H . . . . . . 58 . 25665 2 >> 4 2 . 1 . . 121.072 . 1 1 1 34 ASP N . . . . . . 59 . 25665 2 >> 5 1 . 1 . . 8.442 . 1 1 1 74 LEU H . . . . . . 63 . 25665 2 >> 5 2 . 1 . . 118.573 . 1 1 1 74 LEU N . . . . . . 64 . 25665 2 >> 6 1 . 1 . . 7.735 . 1 1 1 114 PHE H . . . . . . 129 . 25665 2 >> 6 2 . 1 . . 122.298 . 1 1 1 114 PHE N . . . . . . 130 . 25665 2 >> 7 1 . 1 . . 7.680 . 1 1 1 111 ILE H . . . . . . 151 . 25665 2 >> 7 2 . 1 . . 125.467 . 1 1 1 111 ILE N . . . . . . 152 . 25665 2 >> 8 1 . 1 . . 7.968 . 1 1 1 113 ALA H . . . . . . 143 . 25665 2 >> 8 2 . 1 . . 122.179 . 1 1 1 113 ALA N . . . . . . 144 . 25665 2 >> 9 1 . 1 . . 8.295 . 1 1 1 30 ASN H . . . . . . 175 . 25665 2 >> 9 2 . 1 . . 115.530 . 1 1 1 30 ASN N . . . . . . 176 . 25665 2 >> 10 1 . 1 . . 7.237 . 1 1 1 63 LEU H . . . . . . 49 . 25665 2 >> 10 2 . 1 . . 119.821 . 1 1 1 63 LEU N . . . . . . 50 . 25665 2 >> 11 1 . 1 . . 7.700 . 1 1 1 12 GLY H . . . . . . 250 . 25665 2 >> 11 2 . 1 . . 110.267 . 1 1 1 12 GLY N . . . . . . 251 . 25665 2 >> 12 1 . 1 . . 7.553 . 1 1 1 178 GLY H . . . . . . 260 . 25665 2 >> 12 2 . 1 . . 112.564 . 1 1 1 178 GLY N . . . . . . 261 . 25665 2 >> 13 1 . 1 . . 7.559 . 1 1 1 99 THR H . . . . . . 207 . 25665 2 >> 13 2 . 1 . . 105.209 . 1 1 1 99 THR N . . . . . . 208 . 25665 2 >> 14 1 . 1 . . 7.721 . 1 1 1 65 SER H . . . . . . 219 . 25665 2 >> 14 2 . 1 . . 114.865 . 1 1 1 65 SER N . . . . . . 220 . 25665 2 >> 15 1 . 1 . . 8.174 . 1 1 1 116 SER H . . . . . . 8 . 25665 2 >> 15 2 . 1 . . 113.345 . 1 1 1 116 SER N . . . . . . 9 . 25665 2 >> 16 1 . 3 . . 8.463 . 1 1 1 73 ALA H . . . . . . 230 . 25665 2 >> 16 2 . 3 . . 125.273 . 1 1 1 73 ALA N . . . . . . 231 . 25665 2 >> 17 1 . 1 . . 8.610 . 1 1 1 35 VAL H . . . . . . 87 . 25665 2 >> 17 2 . 1 . . 124.290 . 1 1 1 35 VAL N . . . . . . 88 . 25665 2 >> 18 1 . 1 . . 9.952 . 1 1 1 109 GLU H . . . . . . 780 . 25665 2 >> 18 2 . 1 . . 118.419 . 1 1 1 109 GLU N . . . . . . 781 . 25665 2 >> 19 1 . 1 . . 8.151 . 1 1 1 38 TYR H . . . . . . 101 . 25665 2 >> 19 2 . 1 . . 121.451 . 1 1 1 38 TYR N . . . . . . 102 . 25665 2 >> 20 1 . 1 . . 8.676 . 1 1 1 119 GLU H . . . . . . 69 . 25665 2 >> 20 2 . 1 . . 121.005 . 1 1 1 119 GLU N . . . . . . 70 . 25665 2 >> 21 1 . 1 . . 8.688 . 1 1 1 64 ASP H . . . . . . 254 . 25665 2 >> 21 2 . 1 . . 121.035 . 1 1 1 64 ASP N . . . . . . 255 . 25665 2 >> 22 1 . 1 . . 8.483 . 1 1 1 67 ILE H . . . . . . 117 . 25665 2 >> 22 2 . 1 . . 120.159 . 1 1 1 67 ILE N . . . . . . 118 . 25665 2 >> 23 1 . 1 . . 9.317 . 1 1 1 102 GLU H . . . . . . 280 . 25665 2 >> 23 2 . 1 . . 115.395 . 1 1 1 102 GLU N . . . . . . 281 . 25665 2 >> 24 1 . 1 . . 8.587 . 1 1 1 48 ASN H . . . . . . 288 . 25665 2 >> 24 2 . 1 . . 120.775 . 1 1 1 48 ASN N . . . . . . 289 . 25665 2 >> 25 1 . 1 . . 8.593 . 1 1 1 198 ILE H . . . . . . 45 . 25665 2 >> 25 2 . 1 . . 120.829 . 1 1 1 198 ILE N . . . . . . 46 . 25665 2 >> 26 1 . 1 . . 8.881 . 1 1 1 92 GLN H . . . . . . 292 . 25665 2 >> 26 2 . 1 . . 119.828 . 1 1 1 92 GLN N . . . . . . 293 . 25665 2 >> 27 1 . 1 . . 8.517 . 1 1 1 131 THR H . . . . . . 169 . 25665 2 >> 27 2 . 1 . . 117.876 . 1 1 1 131 THR N . . . . . . 170 . 25665 2 >> 28 1 . 1 . . 8.522 . 1 1 1 72 ASN H . . . . . . 155 . 25665 2 >> 28 2 . 1 . . 117.947 . 1 1 1 72 ASN N . . . . . . 156 . 25665 2 >> 29 1 . 1 . . 7.906 . 1 1 1 33 ALA H . . . . . . 5 . 25665 2 >> 29 2 . 1 . . 120.574 . 1 1 1 33 ALA N . . . . . . 6 . 25665 2 >> 30 1 . 1 . . 7.654 . 1 1 1 194 ILE H . . . . . . 284 . 25665 2 >> 30 2 . 1 . . 124.608 . 1 1 1 194 ILE N . . . . . . 285 . 25665 2 >> 31 1 . 2 . . 7.662 . 1 1 1 49 TYR H . . . . . . 791 . 25665 2 >> 31 2 . 2 . . 124.470 . 1 1 1 49 TYR N . . . . . . 792 . 25665 2 >> 32 1 . 1 . . 8.862 . 1 1 1 181 PHE H . . . . . . 217 . 25665 2 >> 32 2 . 1 . . 118.664 . 1 1 1 181 PHE N . . . . . . 218 . 25665 2 >> 33 1 . 4 . . 8.836 . 1 1 1 115 LYS H . . . . . . 299 . 25665 2 >> 33 2 . 3 . . 118.776 . 1 1 1 115 LYS N . . . . . . 298 . 25665 2 >> 34 1 . 2 . . 8.803 . 1 1 1 28 THR H . . . . . . 181 . 25665 2 >> 34 2 . 1 . . 115.769 . 1 1 1 28 THR N . . . . . . 182 . 25665 2 >> 35 1 . 1 . . 8.908 . 1 1 1 24 SER H . . . . . . 31 . 25665 2 >> 35 2 . 1 . . 111.978 . 1 1 1 24 SER N . . . . . . 32 . 25665 2 >> 36 1 . 2 . . 8.701 . 1 1 1 166 GLY H . . . . . . 787 . 25665 2 >> 36 2 . 2 . . 111.844 . 1 1 1 166 GLY N . . . . . . 55 . 25665 2 >> 37 1 . 1 . . 8.548 . 1 1 1 39 MET H . . . . . . 225 . 25665 2 >> 37 2 . 1 . . 117.199 . 1 1 1 39 MET N . . . . . . 226 . 25665 2 >> 38 1 . 1 . . 8.257 . 1 1 1 120 GLY H . . . . . . 131 . 25665 2 >> 38 2 . 1 . . 114.247 . 1 1 1 120 GLY N . . . . . . 132 . 25665 2 >> 39 1 . 1 . . 9.039 . 1 1 1 127 ASN H . . . . . . 135 . 25665 2 >> 39 2 . 1 . . 109.458 . 1 1 1 127 ASN N . . . . . . 136 . 25665 2 >> 40 1 . 1 . . 6.676 . 1 1 1 56 VAL H . . . . . . 213 . 25665 2 >> 40 2 . 1 . . 111.920 . 1 1 1 56 VAL N . . . . . . 214 . 25665 2 >> 41 1 . 1 . . 7.088 . 1 1 1 105 PHE H . . . . . . 248 . 25665 2 >> 41 2 . 1 . . 126.569 . 1 1 1 105 PHE N . . . . . . 249 . 25665 2 >> 42 1 . 1 . . 7.736 . 1 1 1 62 GLU H . . . . . . 269 . 25665 2 >> 42 2 . 1 . . 118.971 . 1 1 1 62 GLU N . . . . . . 270 . 25665 2 >> 43 1 . 1 . . 7.814 . 1 1 1 18 ALA H . . . . . . 73 . 25665 2 >> 43 2 . 1 . . 121.183 . 1 1 1 18 ALA N . . . . . . 74 . 25665 2 >> 44 1 . 1 . . 7.439 . 1 1 1 31 GLU H . . . . . . 65 . 25665 2 >> 44 2 . 1 . . 120.998 . 1 1 1 31 GLU N . . . . . . 66 . 25665 2 >> 45 1 . 4 . . 8.160 . 1 1 1 37 ASP H . . . . . . 778 . 25665 2 >> 45 2 . 4 . . 119.916 . 1 1 1 37 ASP N . . . . . . 779 . 25665 2 >> 46 1 . 1 . . 7.502 . 1 1 1 11 LYS H . . . . . . 93 . 25665 2 >> 46 2 . 1 . . 124.406 . 1 1 1 11 LYS N . . . . . . 94 . 25665 2 >> 47 1 . 1 . . 7.992 . 1 1 1 164 ILE H . . . . . . 273 . 25665 2 >> 47 2 . 1 . . 124.050 . 1 1 1 164 ILE N . . . . . . 274 . 25665 2 >> 48 1 . 1 . . 7.951 . 1 1 1 112 ASP H . . . . . . 282 . 25665 2 >> 48 2 . 1 . . 120.986 . 1 1 1 112 ASP N . . . . . . 283 . 25665 2 >> 49 1 . 1 . . 7.977 . 1 1 1 50 LEU H . . . . . . 294 . 25665 2 >> 49 2 . 1 . . 120.515 . 1 1 1 50 LEU N . . . . . . 295 . 25665 2 >> 50 1 . 1 . . 7.791 . 1 1 1 15 TRP H . . . . . . 37 . 25665 2 >> 50 2 . 1 . . 125.107 . 1 1 1 15 TRP N . . . . . . 38 . 25665 2 >> 51 1 . 1 . . 7.519 . 1 1 1 76 ARG H . . . . . . 15 . 25665 2 >> 51 2 . 1 . . 121.580 . 1 1 1 76 ARG N . . . . . . 16 . 25665 2 >> 52 1 . 1 . . 8.168 . 1 1 1 68 THR H . . . . . . 185 . 25665 2 >> 52 2 . 1 . . 117.652 . 1 1 1 68 THR N . . . . . . 186 . 25665 2 >> 53 1 . 1 . . 7.912 . 1 1 1 40 ARG H . . . . . . 33 . 25665 2 >> 53 2 . 1 . . 118.519 . 1 1 1 40 ARG N . . . . . . 34 . 25665 2 >> 54 1 . 1 . . 8.335 . 1 1 1 10 SER H . . . . . . 67 . 25665 2 >> 54 2 . 1 . . 118.374 . 1 1 1 10 SER N . . . . . . 68 . 25665 2 >> 55 1 . 1 . . 8.003 . 1 1 1 57 ASN H . . . . . . 119 . 25665 2 >> 55 2 . 1 . . 116.646 . 1 1 1 57 ASN N . . . . . . 120 . 25665 2 >> 56 1 . 1 . . 8.758 . 1 1 1 70 ILE H . . . . . . 56 . 25665 2 >> 56 2 . 1 . . 122.774 . 1 1 1 70 ILE N . . . . . . 57 . 25665 2 >> 57 1 . 1 . . 8.868 . 1 1 1 71 GLU H . . . . . . 238 . 25665 2 >> 57 2 . 1 . . 121.214 . 1 1 1 71 GLU N . . . . . . 239 . 25665 2 >> 58 1 . 1 . . 8.727 . 1 1 1 60 ASN H . . . . . . 109 . 25665 2 >> 58 2 . 2 . . 121.341 . 1 1 1 60 ASN N . . . . . . 110 . 25665 2 >> 59 1 . 1 . . 8.923 . 1 1 1 123 LEU H . . . . . . 17 . 25665 2 >> 59 2 . 1 . . 123.964 . 1 1 1 123 LEU N . . . . . . 18 . 25665 2 >> 60 1 . 1 . . 9.201 . 1 1 1 176 ASN H . . . . . . 43 . 25665 2 >> 60 2 . 1 . . 116.234 . 1 1 1 176 ASN N . . . . . . 44 . 25665 2 >> 61 1 . 1 . . 8.970 . 1 1 1 47 ASN H . . . . . . 91 . 25665 2 >> 61 2 . 1 . . 118.092 . 1 1 1 47 ASN N . . . . . . 92 . 25665 2 >> 62 1 . 1 . . 8.505 . 1 1 1 32 LEU H . . . . . . 244 . 25665 2 >> 62 2 . 1 . . 119.448 . 1 1 1 32 LEU N . . . . . . 245 . 25665 2 >> 63 1 . 2 . . 8.616 . 1 1 1 36 ASN H . . . . . . 772 . 25665 2 >> 63 2 . 3 . . 120.120 . 1 1 1 36 ASN N . . . . . . 773 . 25665 2 >> 64 1 . 1 . . 7.716 . 1 1 1 75 LYS H . . . . . . 53 . 25665 2 >> 64 2 . 1 . . 117.411 . 1 1 1 75 LYS N . . . . . . 54 . 25665 2 >> 65 1 . 1 . . 7.738 . 1 1 1 14 SER H . . . . . . 78 . 25665 2 >> 65 2 . 1 . . 114.439 . 1 1 1 14 SER N . . . . . . 79 . 25665 2 >> 66 1 . 1 . . 7.688 . 1 1 1 118 TRP H . . . . . . 205 . 25665 2 >> 66 2 . 1 . . 115.020 . 1 1 1 118 TRP N . . . . . . 206 . 25665 2 >> 67 1 . 1 . . 7.658 . 1 1 1 52 SER H . . . . . . 159 . 25665 2 >> 67 2 . 1 . . 113.829 . 1 1 1 52 SER N . . . . . . 160 . 25665 2 >> 68 1 . 1 . . 9.470 . 1 1 1 155 GLY H . . . . . . 234 . 25665 2 >> 68 2 . 1 . . 115.726 . 1 1 1 155 GLY N . . . . . . 235 . 25665 2 >> 69 1 . 1 . . 8.703 . 1 1 1 108 LEU H . . . . . . 209 . 25665 2 >> 69 2 . 1 . . 129.939 . 1 1 1 108 LEU N . . . . . . 210 . 25665 2 >> 70 1 . 1 . . 7.669 . 1 1 1 23 TRP H . . . . . . 123 . 25665 2 >> 70 2 . 1 . . 123.444 . 1 1 1 23 TRP N . . . . . . 124 . 25665 2 >> 71 1 . 1 . . 7.139 . 1 1 1 66 LYS H . . . . . . 133 . 25665 2 >> 71 2 . 1 . . 122.024 . 1 1 1 66 LYS N . . . . . . 134 . 25665 2 >> 72 1 . 1 . . 6.294 . 1 1 1 44 THR H . . . . . . 177 . 25665 2 >> 72 2 . 1 . . 120.889 . 1 1 1 44 THR N . . . . . . 178 . 25665 2 >> 73 1 . 1 . . 6.685 . 1 1 1 27 LEU H . . . . . . 296 . 25665 2 >> 73 2 . 1 . . 119.775 . 1 1 1 27 LEU N . . . . . . 297 . 25665 2 >> 74 1 . 1 . . 7.006 . 1 1 1 107 LYS H . . . . . . 139 . 25665 2 >> 74 2 . 2 . . 120.112 . 1 1 1 107 LYS N . . . . . . 140 . 25665 2 >> 75 1 . 1 . . 7.353 . 1 1 1 129 ILE H . . . . . . 27 . 25665 2 >> 75 2 . 1 . . 119.727 . 1 1 1 129 ILE N . . . . . . 28 . 25665 2 >> 76 1 . 1 . . 7.433 . 1 1 1 117 LYS H . . . . . . 75 . 25665 2 >> 76 2 . 1 . . 120.619 . 1 1 1 117 LYS N . . . . . . 76 . 25665 2 >> 77 1 . 1 . . 7.380 . 1 1 1 25 ASN H . . . . . . 165 . 25665 2 >> 77 2 . 1 . . 117.996 . 1 1 1 25 ASN N . . . . . . 166 . 25665 2 >> 78 1 . 1 . . 7.512 . 1 1 1 81 THR H . . . . . . 25 . 25665 2 >> 78 2 . 1 . . 115.395 . 1 1 1 81 THR N . . . . . . 26 . 25665 2 >> 79 1 . 1 . . 7.280 . 1 1 1 41 GLY H . . . . . . 149 . 25665 2 >> 79 2 . 1 . . 105.535 . 1 1 1 41 GLY N . . . . . . 150 . 25665 2 >> 80 1 . 1 . . 9.167 . 1 1 1 58 ASN H . . . . . . 153 . 25665 2 >> 80 2 . 1 . . 117.866 . 1 1 1 58 ASN N . . . . . . 154 . 25665 2 >> 81 1 . 1 . . 9.166 . 1 1 1 77 GLU H . . . . . . 161 . 25665 2 >> 81 2 . 1 . . 121.332 . 1 1 1 77 GLU N . . . . . . 162 . 25665 2 >> 82 1 . 1 . . 9.557 . 1 1 1 184 ASN H . . . . . . 256 . 25665 2 >> 82 2 . 1 . . 128.775 . 1 1 1 184 ASN N . . . . . . 257 . 25665 2 >> 83 1 . 1 . . 8.963 . 1 1 1 183 ILE H . . . . . . 195 . 25665 2 >> 83 2 . 1 . . 127.711 . 1 1 1 183 ILE N . . . . . . 196 . 25665 2 >> 84 1 . 1 . . 8.149 . 1 1 1 168 ALA H . . . . . . 21 . 25665 2 >> 84 2 . 1 . . 131.105 . 1 1 1 168 ALA N . . . . . . 22 . 25665 2 >> 85 1 . 1 . . 8.318 . 1 1 1 174 LEU H . . . . . . 23 . 25665 2 >> 85 2 . 1 . . 132.348 . 1 1 1 174 LEU N . . . . . . 24 . 25665 2 >> 86 1 . 1 . . 8.526 . 1 1 1 173 VAL H . . . . . . 29 . 25665 2 >> 86 2 . 1 . . 126.713 . 1 1 1 173 VAL N . . . . . . 30 . 25665 2 >> 87 1 . 1 . . 8.545 . 1 1 1 17 LYS H . . . . . . 271 . 25665 2 >> 87 2 . 1 . . 122.628 . 1 1 1 17 LYS N . . . . . . 272 . 25665 2 >> 88 1 . 1 . . 8.113 . 1 1 1 21 ASN H . . . . . . 290 . 25665 2 >> 88 2 . 1 . . 123.452 . 1 1 1 21 ASN N . . . . . . 291 . 25665 2 >> 89 1 . 1 . . 8.083 . 1 1 1 7 ASP H . . . . . . 211 . 25665 2 >> 89 2 . 1 . . 121.993 . 1 1 1 7 ASP N . . . . . . 212 . 25665 2 >> 90 1 . 1 . . 8.037 . 1 1 1 45 ALA H . . . . . . 278 . 25665 2 >> 90 2 . 1 . . 124.097 . 1 1 1 45 ALA N . . . . . . 279 . 25665 2 >> 91 1 . 1 . . 8.646 . 1 1 1 192 GLY H . . . . . . 111 . 25665 2 >> 91 2 . 1 . . 115.570 . 1 1 1 192 GLY N . . . . . . 112 . 25665 2 >> 92 1 . 1 . . 7.804 . 1 1 1 110 ASN H . . . . . . 183 . 25665 2 >> 92 2 . 1 . . 118.700 . 1 1 1 110 ASN N . . . . . . 184 . 25665 2 >> 93 1 . 1 . . 7.970 . 1 1 1 4 ASP H . . . . . . 189 . 25665 2 >> 93 2 . 1 . . 120.899 . 1 1 1 4 ASP N . . . . . . 190 . 25665 2 >> 94 1 . 1 . . 8.008 . 1 1 1 172 GLU H . . . . . . 227 . 25665 2 >> 94 2 . 1 . . 119.771 . 1 1 1 172 GLU N . . . . . . 228 . 25665 2 >> 95 1 . 1 . . 7.798 . 1 1 1 26 LYS H . . . . . . 71 . 25665 2 >> 95 2 . 2 . . 119.607 . 1 1 1 26 LYS N . . . . . . 72 . 25665 2 >> 96 1 . 1 . . 8.167 . 1 1 1 8 ASP H . . . . . . 193 . 25665 2 >> 96 2 . 1 . . 121.515 . 1 1 1 8 ASP N . . . . . . 194 . 25665 2 >> 97 1 . 1 . . 7.874 . 1 1 1 69 ASN H . . . . . . 242 . 25665 2 >> 97 2 . 1 . . 120.174 . 1 1 1 69 ASN N . . . . . . 243 . 25665 2 >> 98 1 . 1 . . 7.940 . 1 1 1 5 PHE H . . . . . . 275 . 25665 2 >> 98 2 . 1 . . 121.177 . 1 1 1 5 PHE N . . . . . . 276 . 25665 2 >> 99 1 . 1 . . 7.823 . 1 1 1 128 PHE H . . . . . . 191 . 25665 2 >> 99 2 . 1 . . 117.101 . 1 1 1 128 PHE N . . . . . . 192 . 25665 2 >> 100 1 . 1 . . 8.476 . 1 1 1 154 LYS H . . . . . . 232 . 25665 2 >> 100 2 . 1 . . 125.050 . 1 1 1 154 LYS N . . . . . . 233 . 25665 2 >> 101 1 . 1 . . 8.948 . 1 1 1 202 THR H . . . . . . 240 . 25665 2 >> 101 2 . 1 . . 117.685 . 1 1 1 202 THR N . . . . . . 241 . 25665 2 >> 102 1 . 1 . . 8.242 . 1 1 1 124 SER H . . . . . . 286 . 25665 2 >> 102 2 . 1 . . 117.230 . 1 1 1 124 SER N . . . . . . 287 . 25665 2 >> 103 1 . 1 . . 8.518 . 1 1 1 195 THR H . . . . . . 215 . 25665 2 >> 103 2 . 1 . . 126.099 . 1 1 1 195 THR N . . . . . . 216 . 25665 2 >> 104 1 . 2 . . 8.976 . 1 1 1 151 THR H . . . . . . 837 . 25665 2 >> 104 2 . 2 . . 123.645 . 1 1 1 151 THR N . . . . . . 836 . 25665 2 >> 105 1 . 1 . . 7.882 . 1 1 1 179 SER H . . . . . . 81 . 25665 2 >> 105 2 . 1 . . 118.173 . 1 1 1 179 SER N . . . . . . 82 . 25665 2 >> 106 1 . 1 . . 9.141 . 1 1 1 201 ALA H . . . . . . 125 . 25665 2 >> 106 2 . 1 . . 128.804 . 1 1 1 201 ALA N . . . . . . 126 . 25665 2 >> 107 1 . 1 . . 8.487 . 1 1 1 191 ASP H . . . . . . 103 . 25665 2 >> 107 2 . 1 . . 126.672 . 1 1 1 191 ASP N . . . . . . 104 . 25665 2 >> 108 1 . 1 . . 7.702 . 1 1 1 185 LYS H . . . . . . 10 . 25665 2 >> 108 2 . 1 . . 117.760 . 1 1 1 185 LYS N . . . . . . 11 . 25665 2 >> 109 1 . 1 . . 7.428 . 1 1 1 94 PHE H . . . . . . 107 . 25665 2 >> 109 2 . 1 . . 116.032 . 1 1 1 94 PHE N . . . . . . 108 . 25665 2 >> 110 1 . 1 . . 8.032 . 1 1 1 20 TYR H . . . . . . 95 . 25665 2 >> 110 2 . 1 . . 115.751 . 1 1 1 20 TYR N . . . . . . 96 . 25665 2 >> 111 1 . 1 . . 8.414 . 1 1 1 54 GLY H . . . . . . 39 . 25665 2 >> 111 2 . 1 . . 109.419 . 1 1 1 54 GLY N . . . . . . 40 . 25665 2 >> 112 1 . 1 . . 7.539 . 1 1 1 95 GLY H . . . . . . 252 . 25665 2 >> 112 2 . 1 . . 107.081 . 1 1 1 95 GLY N . . . . . . 253 . 25665 2 >> 113 1 . 1 . . 8.525 . 1 1 1 79 ILE H . . . . . . 173 . 25665 2 >> 113 2 . 1 . . 122.924 . 1 1 1 79 ILE N . . . . . . 174 . 25665 2 >> 114 1 . 1 . . 8.045 . 1 1 1 97 THR H . . . . . . 266 . 25665 2 >> 114 2 . 1 . . 110.079 . 1 1 1 97 THR N . . . . . . 267 . 25665 2 >> 115 1 . 1 . . 8.760 . 1 1 1 42 GLY H . . . . . . 85 . 25665 2 >> 115 2 . 1 . . 114.087 . 1 1 1 42 GLY N . . . . . . 86 . 25665 2 >> 116 1 . 3 . . 8.255 . 1 1 1 158 GLY H . . . . . . 798 . 25665 2 >> 116 2 . 2 . . 109.829 . 1 1 1 158 GLY N . . . . . . 799 . 25665 2 >> 117 1 . 1 . . 9.070 . 1 1 1 182 LYS H . . . . . . 3 . 25665 2 >> 117 2 . 1 . . 125.025 . 1 1 1 182 LYS N . . . . . . 4 . 25665 2 >> 118 1 . 1 . . 8.459 . 1 1 1 98 LEU H . . . . . . 47 . 25665 2 >> 118 2 . 1 . . 118.723 . 1 1 1 98 LEU N . . . . . . 48 . 25665 2 >> 119 1 . 1 . . 8.045 . 1 1 1 6 LYS H . . . . . . 167 . 25665 2 >> 119 2 . 1 . . 123.612 . 1 1 1 6 LYS N . . . . . . 168 . 25665 2 >> 120 1 . 1 . . 7.546 . 1 1 1 100 SER H . . . . . . 1 . 25665 2 >> 120 2 . 2 . . 123.343 . 1 1 1 100 SER N . . . . . . 2 . 25665 2 >> 121 1 . 1 . . 8.464 . 1 1 1 204 ILE H . . . . . . 41 . 25665 2 >> 121 2 . 1 . . 128.339 . 1 1 1 204 ILE N . . . . . . 42 . 25665 2 >> 122 1 . 1 . . 9.131 . 1 1 1 150 ILE H . . . . . . 203 . 25665 2 >> 122 2 . 1 . . 129.456 . 1 1 1 150 ILE N . . . . . . 204 . 25665 2 >> 123 1 . 1 . . 8.659 . 1 1 1 13 ASP H . . . . . . 13 . 25665 2 >> 123 2 . 1 . . 123.430 . 1 1 1 13 ASP N . . . . . . 14 . 25665 2 >> 124 1 . 1 . . 7.912 . 1 1 1 121 GLN H . . . . . . 60 . 25665 2 >> 124 2 . 1 . . 119.621 . 1 1 1 121 GLN N . . . . . . 61 . 25665 2 >> 125 1 . 1 . . 7.591 . 1 1 1 156 SER H . . . . . . 113 . 25665 2 >> 125 2 . 2 . . 119.758 . 1 1 1 156 SER N . . . . . . 114 . 25665 2 >> 126 1 . 1 . . 8.213 . 1 1 1 3 LEU H . . . . . . 99 . 25665 2 >> 126 2 . 1 . . 124.133 . 1 1 1 3 LEU N . . . . . . 100 . 25665 2 >> 127 1 . 1 . . 7.665 . 1 1 1 167 TYR H . . . . . . 236 . 25665 2 >> 127 2 . 1 . . 122.326 . 1 1 1 167 TYR N . . . . . . 237 . 25665 2 >> 128 1 . 1 . . 8.722 . 1 1 1 188 SER H . . . . . . 171 . 25665 2 >> 128 2 . 1 . . 114.610 . 1 1 1 188 SER N . . . . . . 172 . 25665 2 >> 129 1 . 1 . . 7.845 . 1 1 1 53 ASN H . . . . . . 121 . 25665 2 >> 129 2 . 1 . . 119.040 . 1 1 1 53 ASN N . . . . . . 122 . 25665 2 >> 130 1 . 1 . . 9.058 . 1 1 1 149 ARG H . . . . . . 51 . 25665 2 >> 130 2 . 1 . . 129.321 . 1 1 1 149 ARG N . . . . . . 52 . 25665 2 >> 131 1 . 1 . . 8.594 . 1 1 1 175 LEU H . . . . . . 199 . 25665 2 >> 131 2 . 1 . . 123.635 . 1 1 1 175 LEU N . . . . . . 200 . 25665 2 >> 132 1 . 1 . . 8.177 . 1 1 1 130 SER H . . . . . . 163 . 25665 2 >> 132 2 . 1 . . 122.143 . 1 1 1 130 SER N . . . . . . 164 . 25665 2 >> 133 1 . 1 . . 9.053 . 1 1 1 200 ASP H . . . . . . 145 . 25665 2 >> 133 2 . 1 . . 129.984 . 1 1 1 200 ASP N . . . . . . 146 . 25665 2 >> 134 1 . 1 . . 7.671 . 1 1 1 96 LEU H . . . . . . 115 . 25665 2 >> 134 2 . 1 . . 120.130 . 1 1 1 96 LEU N . . . . . . 116 . 25665 2 >> 135 1 . 1 . . 9.073 . 1 1 1 86 TYR H . . . . . . 137 . 25665 2 >> 135 2 . 1 . . 116.329 . 1 1 1 86 TYR N . . . . . . 138 . 25665 2 >> 136 1 . 1 . . 8.312 . 1 1 1 122 ALA H . . . . . . 83 . 25665 2 >> 136 2 . 1 . . 121.542 . 1 1 1 122 ALA N . . . . . . 84 . 25665 2 >> 137 1 . 2 . . 8.281 . 1 1 1 203 LEU H . . . . . . 776 . 25665 2 >> 137 2 . 1 . . 129.685 . 1 1 1 203 LEU N . . . . . . 62 . 25665 2 >> 138 1 . 1 . . 7.563 . 1 1 1 43 TYR H . . . . . . 221 . 25665 2 >> 138 2 . 1 . . 118.083 . 1 1 1 43 TYR N . . . . . . 222 . 25665 2 >> 139 1 . 1 . . 8.751 . 1 1 1 187 ASP H . . . . . . 223 . 25665 2 >> 139 2 . 1 . . 127.991 . 1 1 1 187 ASP N . . . . . . 224 . 25665 2 >> 140 1 . 1 . . 9.099 . 1 1 1 186 ILE H . . . . . . 97 . 25665 2 >> 140 2 . 1 . . 125.858 . 1 1 1 186 ILE N . . . . . . 98 . 25665 2 >> 141 1 . 1 . . 6.884 . 1 1 1 104 ASP H . . . . . . 89 . 25665 2 >> 141 2 . 1 . . 115.773 . 1 1 1 104 ASP N . . . . . . 90 . 25665 2 >> 142 1 . 1 . . 8.092 . 1 1 1 106 ASN H . . . . . . 187 . 25665 2 >> 142 2 . 1 . . 118.202 . 1 1 1 106 ASN N . . . . . . 188 . 25665 2 >> 143 1 . 1 . . 8.991 . 1 1 1 189 TYR H . . . . . . 141 . 25665 2 >> 143 2 . 1 . . 119.610 . 1 1 1 189 TYR N . . . . . . 142 . 25665 2 >> 144 1 . 1 . . 8.363 . 1 1 1 197 LEU H . . . . . . 258 . 25665 2 >> 144 2 . 1 . . 116.784 . 1 1 1 197 LEU N . . . . . . 259 . 25665 2 >> 145 1 . 1 . . 7.969 . 1 1 1 125 TYR H . . . . . . 179 . 25665 2 >> 145 2 . 1 . . 124.189 . 1 1 1 125 TYR N . . . . . . 180 . 25665 2 >> 146 1 . 1 . . 7.436 . 1 1 1 146 ILE H . . . . . . 201 . 25665 2 >> 146 2 . 1 . . 117.912 . 1 1 1 146 ILE N . . . . . . 202 . 25665 2 >> 147 1 . 2 . . 9.756 . 1 1 1 152 ILE H . . . . . . 831 . 25665 2 >> 147 2 . 2 . . 131.069 . 1 1 1 152 ILE N . . . . . . 832 . 25665 2 >> 148 1 . 1 . . 8.332 . 1 1 1 170 GLU H . . . . . . 262 . 25665 2 >> 148 2 . 2 . . 123.940 . 1 1 1 170 GLU N . . . . . . 263 . 25665 2 >> 149 1 . 1 . . 8.985 . 1 1 1 85 VAL H . . . . . . 157 . 25665 2 >> 149 2 . 1 . . 118.684 . 1 1 1 85 VAL N . . . . . . 158 . 25665 2 >> 150 1 . 1 . . 8.752 . 1 1 1 196 LYS H . . . . . . 35 . 25665 2 >> 150 2 . 1 . . 128.847 . 1 1 1 196 LYS N . . . . . . 36 . 25665 2 >> 151 1 . 1 . . 7.259 . 1 1 1 163 ALA H . . . . . . 246 . 25665 2 >> 151 2 . 1 . . 122.052 . 1 1 1 163 ALA N . . . . . . 247 . 25665 2 >> 152 1 . 1 . . 8.477 . 1 1 1 190 LYS H . . . . . . 105 . 25665 2 >> 152 2 . 1 . . 120.424 . 1 1 1 190 LYS N . . . . . . 106 . 25665 2 >> 153 1 . 1 . . 8.059 . 1 1 1 180 LYS H . . . . . . 264 . 25665 2 >> 153 2 . 1 . . 122.516 . 1 1 1 180 LYS N . . . . . . 265 . 25665 2 >> 154 1 . 1 . . 7.981 . 1 1 1 82 ASN H . . . . . . 127 . 25665 2 >> 154 2 . 1 . . 121.658 . 1 1 1 82 ASN N . . . . . . 128 . 25665 2 >> 155 1 . 1 . . 7.377 . 1 1 1 103 TYR H . . . . . . 300 . 25665 2 >> 155 2 . 1 . . 117.273 . 1 1 1 103 TYR N . . . . . . 301 . 25665 2 >> 156 1 . 2 . . 8.405 . 1 1 1 84 THR H . . . . . . 303 . 25665 2 >> 156 2 . 1 . . 125.348 . 1 1 1 84 THR N . . . . . . 302 . 25665 2 >> 157 1 . 1 . . 8.414 . 1 1 1 171 TYR H . . . . . . 304 . 25665 2 >> 157 2 . 1 . . 124.528 . 1 1 1 171 TYR N . . . . . . 305 . 25665 2 >> 158 1 . 1 . . 8.752 . 1 1 1 147 VAL H . . . . . . 306 . 25665 2 >> 158 2 . 1 . . 129.754 . 1 1 1 147 VAL N . . . . . . 307 . 25665 2 >> 159 1 . 1 . . 8.733 . 1 1 1 83 LEU H . . . . . . 308 . 25665 2 >> 159 2 . 1 . . 131.284 . 1 1 1 83 LEU N . . . . . . 309 . 25665 2 >> 160 1 . 1 . . 8.417 . 1 1 1 22 ASP H . . . . . . 310 . 25665 2 >> 160 2 . 1 . . 118.073 . 1 1 1 22 ASP N . . . . . . 311 . 25665 2 >> 161 1 . 1 . . 8.583 . 1 1 1 193 THR H . . . . . . 312 . 25665 2 >> 161 2 . 1 . . 118.244 . 1 1 1 193 THR N . . . . . . 313 . 25665 2 >> 162 1 . 1 . . 9.008 . 1 1 1 87 ARG H . . . . . . 314 . 25665 2 >> 162 2 . 1 . . 120.361 . 1 1 1 87 ARG N . . . . . . 315 . 25665 2 >> 163 1 . 1 . . 7.566 . 1 1 1 161 LEU H . . . . . . 316 . 25665 2 >> 163 2 . 1 . . 128.933 . 1 1 1 161 LEU N . . . . . . 317 . 25665 2 >> 164 1 . 1 . . 9.348 . 1 1 1 199 VAL H . . . . . . 318 . 25665 2 >> 164 2 . 1 . . 131.579 . 1 1 1 199 VAL N . . . . . . 319 . 25665 2 >> 165 1 . 2 . . 7.174 . 1 1 1 19 ASN H . . . . . . 788 . 25665 2 >> 165 2 . 1 . . 113.122 . 1 1 1 19 ASN N . . . . . . 320 . 25665 2 >> 166 1 . 1 . . 8.953 . 1 1 1 16 GLY H . . . . . . 321 . 25665 2 >> 166 2 . 1 . . 111.790 . 1 1 1 16 GLY N . . . . . . 322 . 25665 2 >> 167 1 . 1 . . 7.601 . 1 1 1 93 GLU H . . . . . . 323 . 25665 2 >> 167 2 . 1 . . 120.772 . 1 1 1 93 GLU N . . . . . . 324 . 25665 2 >> 168 1 . 1 . . 8.838 . 1 1 1 88 ARG H . . . . . . 325 . 25665 2 >> 168 2 . 1 . . 127.278 . 1 1 1 88 ARG N . . . . . . 326 . 25665 2 >> 169 1 . 1 . . 6.131 . 1 1 1 162 SER H . . . . . . 327 . 25665 2 >> 169 2 . 1 . . 109.499 . 1 1 1 162 SER N . . . . . . 328 . 25665 2 >> 170 1 . 1 . . 6.982 . 1 1 1 159 ALA H . . . . . . 800 . 25665 2 >> 170 2 . 1 . . 113.154 . 1 1 1 159 ALA N . . . . . . 801 . 25665 2 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2_3 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '3D HNCO' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 N 15N 3 C 13C stop_ _Sample_label $13C15N-cMSD1 _Sample_conditions_label $cMSD1_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2_3 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2_3 >> _Spectral_peak_list.Entry_ID 25665 >> _Spectral_peak_list.ID 3 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $13C15N-cMSD1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $cMSD1_1 >> _Spectral_peak_list.Experiment_ID 3 >> _Spectral_peak_list.Experiment_name '3D HNCO' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _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.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 1H . . 4169.17041016 . . . . 25665 3 >> 2 N 15 15N . . 2595.20410156 . . . . 25665 3 >> 3 C 13 13C . . 4427.78613281 . . . . 25665 3 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 25665 3 >> 10 1.0 . 25665 3 >> 11 1.0 . 25665 3 >> 12 1.0 . 25665 3 >> 13 1.0 . 25665 3 >> 2 1.0 . 25665 3 >> 3 1.0 . 25665 3 >> 4 1.0 . 25665 3 >> 5 1.0 . 25665 3 >> 6 1.0 . 25665 3 >> 7 1.0 . 25665 3 >> 8 1.0 . 25665 3 >> 9 1.0 . 25665 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 35341780.0 . height 25665 3 >> 1 723695638.0 . volume 25665 3 >> 2 76850808.0 . height 25665 3 >> 2 1544600108.0 . volume 25665 3 >> 3 66520184.0 . height 25665 3 >> 3 1341985716.0 . volume 25665 3 >> 4 70768232.0 . height 25665 3 >> 4 1509762636.0 . volume 25665 3 >> 5 19480926.0 . height 25665 3 >> 5 401034764.0 . volume 25665 3 >> 6 51358164.0 . height 25665 3 >> 6 1047564356.0 . volume 25665 3 >> 7 60109148.0 . height 25665 3 >> 7 1219487676.0 . volume 25665 3 >> 8 18706558.0 . height 25665 3 >> 8 389196647.5 . volume 25665 3 >> 9 30496400.0 . height 25665 3 >> 9 619046086.0 . volume 25665 3 >> 10 19944876.0 . height 25665 3 >> 10 406197582.0 . volume 25665 3 >> 11 8871844.0 . height 25665 3 >> 11 182928720.5 . volume 25665 3 >> 12 8404121.0 . height 25665 3 >> 12 172329582.0 . volume 25665 3 >> 13 49203048.0 . height 25665 3 >> 13 998122842.0 . volume 25665 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 >> >> 1 1 8.881 . 28.2471551871 . . . . . . . . . . . 25665 3 >> 1 2 119.833 . 95.8071782169 . . . . . . . . . . . 25665 3 >> 1 3 178.075 . 63.8972486433 . . . . . . . . . . . 25665 3 >> 2 1 7.737 . 23.8932940656 . . . . . . . . . . . 25665 3 >> 2 2 118.987 . 91.8538109663 . . . . . . . . . . . 25665 3 >> 2 3 178.464 . 62.8970046551 . . . . . . . . . . . 25665 3 >> 3 1 7.433 . 27.5370575889 . . . . . . . . . . . 25665 3 >> 3 2 120.636 . 90.7329546264 . . . . . . . . . . . 25665 3 >> 3 3 175.794 . 63.8469725273 . . . . . . . . . . . 25665 3 >> 4 1 7.380 . 25.4142153742 . . . . . . . . . . . 25665 3 >> 4 2 117.835 . 113.5097784450 . . . . . . . . . . . 25665 3 >> 4 3 175.224 . 66.1068905408 . . . . . . . . . . . 25665 3 >> 5 1 8.548 . 38.2782150851 . . . . . . . . . . . 25665 3 >> 5 2 122.635 . 90.9986539878 . . . . . . . . . . . 25665 3 >> 5 3 175.934 . 67.3428120703 . . . . . . . . . . . 25665 3 >> 6 1 7.705 . 28.6573669353 . . . . . . . . . . . 25665 3 >> 6 2 117.755 . 93.6562147853 . . . . . . . . . . . 25665 3 >> 6 3 174.759 . 64.5627143996 . . . . . . . . . . . 25665 3 >> 7 1 7.913 . 28.1942847243 . . . . . . . . . . . 25665 3 >> 7 2 119.634 . 93.1158442617 . . . . . . . . . . . 25665 3 >> 7 3 174.133 . 62.6923373166 . . . . . . . . . . . 25665 3 >> 8 1 8.516 . 35.8828535743 . . . . . . . . . . . 25665 3 >> 8 2 117.834 . 96.7174550513 . . . . . . . . . . . 25665 3 >> 8 3 173.715 . 66.4908892223 . . . . . . . . . . . 25665 3 >> 9 1 8.335 . 29.5831015161 . . . . . . . . . . . 25665 3 >> 9 2 123.975 . 91.3571135184 . . . . . . . . . . . 25665 3 >> 9 3 172.373 . 64.0707738207 . . . . . . . . . . . 25665 3 >> 10 1 7.259 . 34.8967979505 . . . . . . . . . . . 25665 3 >> 10 2 122.052 . 91.7142839971 . . . . . . . . . . . 25665 3 >> 10 3 171.946 . 63.9921266680 . . . . . . . . . . . 25665 3 >> 11 1 7.568 . 38.9719787193 . . . . . . . . . . . 25665 3 >> 11 2 128.974 . 91.2186951338 . . . . . . . . . . . 25665 3 >> 11 3 173.432 . 67.7159901704 . . . . . . . . . . . 25665 3 >> 12 1 6.129 . 39.6018393008 . . . . . . . . . . . 25665 3 >> 12 2 109.485 . 92.9030991491 . . . . . . . . . . . 25665 3 >> 12 3 177.317 . 64.6503347173 . . . . . . . . . . . 25665 3 >> 13 1 7.591 . 27.8909601449 . . . . . . . . . . . 25665 3 >> 13 2 119.769 . 93.4400665759 . . . . . . . . . . . 25665 3 >> 13 3 174.073 . 63.9963493340 . . . . . . . . . . . 25665 3 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Peak_contribution_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.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.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_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 . . 8.881 . 1 1 1 92 GLN H . . . . . . 292 . 25665 3 >> 1 2 . 1 . . 119.833 . 1 1 1 92 GLN N . . . . . . 293 . 25665 3 >> 1 3 . 2 . . 178.075 . 1 1 1 91 PRO C . . . . . . 762 . 25665 3 >> 2 1 . 1 . . 7.737 . 1 1 1 62 GLU H . . . . . . 269 . 25665 3 >> 2 2 . 1 . . 118.987 . 1 1 1 62 GLU N . . . . . . 270 . 25665 3 >> 2 3 . 2 . . 178.464 . 1 1 1 61 PRO C . . . . . . 757 . 25665 3 >> 3 1 . 1 . . 7.433 . 1 1 1 117 LYS H . . . . . . 75 . 25665 3 >> 3 2 . 1 . . 120.636 . 1 1 1 117 LYS N . . . . . . 76 . 25665 3 >> 3 3 . 3 . . 175.794 . 1 1 1 116 SER C . . . . . . 77 . 25665 3 >> 4 1 . 1 . . 7.380 . 1 1 1 25 ASN H . . . . . . 165 . 25665 3 >> 4 2 . 1 . . 117.835 . 1 1 1 25 ASN N . . . . . . 166 . 25665 3 >> 4 3 . 4 . . 175.224 . 1 1 1 24 SER C . . . . . . 819 . 25665 3 >> 5 1 . 1 . . 8.548 . 1 1 1 17 LYS H . . . . . . 271 . 25665 3 >> 5 2 . 1 . . 122.635 . 1 1 1 17 LYS N . . . . . . 272 . 25665 3 >> 5 3 . 2 . . 175.934 . 1 1 1 16 GLY C . . . . . . 758 . 25665 3 >> 6 1 . 1 . . 7.705 . 1 1 1 185 LYS H . . . . . . 10 . 25665 3 >> 6 2 . 1 . . 117.755 . 1 1 1 185 LYS N . . . . . . 11 . 25665 3 >> 6 3 . 5 . . 174.759 . 1 1 1 94 PHE C . . . . . . 12 . 25665 3 >> 7 1 . 1 . . 7.913 . 1 1 1 121 GLN H . . . . . . 60 . 25665 3 >> 7 2 . 1 . . 119.634 . 1 1 1 121 GLN N . . . . . . 61 . 25665 3 >> 7 3 . 5 . . 174.133 . 1 1 1 120 GLY C . . . . . . 750 . 25665 3 >> 8 1 . 1 . . 8.516 . 1 1 1 131 THR H . . . . . . 169 . 25665 3 >> 8 2 . 1 . . 117.834 . 1 1 1 131 THR N . . . . . . 170 . 25665 3 >> 8 3 . 2 . . 173.715 . 1 1 1 130 SER C . . . . . . 752 . 25665 3 >> 9 1 . 1 . . 8.335 . 1 1 1 170 GLU H . . . . . . 262 . 25665 3 >> 9 2 . 1 . . 123.975 . 1 1 1 170 GLU N . . . . . . 263 . 25665 3 >> 9 3 . 3 . . 172.373 . 1 1 1 169 GLY C . . . . . . 755 . 25665 3 >> 10 1 . 1 . . 7.259 . 1 1 1 163 ALA H . . . . . . 246 . 25665 3 >> 10 2 . 1 . . 122.052 . 1 1 1 163 ALA N . . . . . . 247 . 25665 3 >> 10 3 . 2 . . 171.946 . 1 1 1 162 SER C . . . . . . 754 . 25665 3 >> 11 1 . 1 . . 7.568 . 1 1 1 161 LEU H . . . . . . 316 . 25665 3 >> 11 2 . 1 . . 128.974 . 1 1 1 161 LEU N . . . . . . 317 . 25665 3 >> 11 3 . 2 . . 173.432 . 1 1 1 160 TYR C . . . . . . 763 . 25665 3 >> 12 1 . 1 . . 6.129 . 1 1 1 162 SER H . . . . . . 327 . 25665 3 >> 12 2 . 1 . . 109.485 . 1 1 1 162 SER N . . . . . . 328 . 25665 3 >> 12 3 . 2 . . 177.317 . 1 1 1 161 LEU C . . . . . . 766 . 25665 3 >> 13 1 . 1 . . 7.591 . 1 1 1 156 SER H . . . . . . 113 . 25665 3 >> 13 2 . 1 . . 119.769 . 1 1 1 156 SER N . . . . . . 114 . 25665 3 >> 13 3 . 2 . . 174.073 . 1 1 1 155 GLY C . . . . . . 932 . 25665 3 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2_3_4 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label 'CBCACONH (H[N[co[{CA|ca[C]}]]])' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 N 15N 3 C 13C stop_ _Sample_label $13C15N-cMSD1 _Sample_conditions_label $cMSD1_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2_3_4 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4 >> _Spectral_peak_list.Entry_ID 25665 >> _Spectral_peak_list.ID 4 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $13C15N-cMSD1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $cMSD1_1 >> _Spectral_peak_list.Experiment_ID 4 >> _Spectral_peak_list.Experiment_name 'CBCACONH (H[N[co[{CA|ca[C]}]]])' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _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.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 1H . . 4169.17089844 . . . . 25665 4 >> 2 N 15 15N . . 2595.20507812 . . . . 25665 4 >> 3 C 13 13C . . 12879.18457030 . . . . 25665 4 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 25665 4 >> 2 1.0 . 25665 4 >> 3 1.0 . 25665 4 >> 4 1.0 . 25665 4 >> 5 1.0 . 25665 4 >> 6 1.0 . 25665 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 622798.6250 . height 25665 4 >> 1 11995902.4688 . volume 25665 4 >> 2 2656802.5000 . height 25665 4 >> 2 51692881.8750 . volume 25665 4 >> 3 5807713.5000 . height 25665 4 >> 3 117718674.7500 . volume 25665 4 >> 4 414697.9375 . height 25665 4 >> 4 8736742.5625 . volume 25665 4 >> 5 986003.5000 . height 25665 4 >> 5 19895026.9531 . volume 25665 4 >> 6 998077.2500 . height 25665 4 >> 6 19841836.2188 . volume 25665 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 8.886 . 32.6448639304 . . . . . . . . . . . 25665 4 >> 1 2 119.801 . 62.0595928506 . . . . . . . . . . . 25665 4 >> 1 3 29.512 . 150.4303255430 . . . . . . . . . . . 25665 4 >> 2 1 7.551 . 24.4599708611 . . . . . . . . . . . 25665 4 >> 2 2 123.339 . 70.2452812463 . . . . . . . . . . . 25665 4 >> 2 3 68.093 . 146.6817797660 . . . . . . . . . . . 25665 4 >> 3 1 8.217 . 24.4202821892 . . . . . . . . . . . 25665 4 >> 3 2 124.083 . 78.1327345004 . . . . . . . . . . . 25665 4 >> 3 3 63.223 . 154.2954677890 . . . . . . . . . . . 25665 4 >> 4 1 7.567 . 49.9779242241 . . . . . . . . . . . 25665 4 >> 4 2 128.933 . 63.2335843483 . . . . . . . . . . . 25665 4 >> 4 3 37.335 . 173.5643283710 . . . . . . . . . . . 25665 4 >> 5 1 7.795 . 27.2162559897 . . . . . . . . . . . 25665 4 >> 5 2 125.107 . 70.6275110363 . . . . . . . . . . . 25665 4 >> 5 3 62.110 . 170.4673717410 . . . . . . . . . . . 25665 4 >> 6 1 8.523 . 27.7581424771 . . . . . . . . . . . 25665 4 >> 6 2 126.126 . 70.2175924028 . . . . . . . . . . . 25665 4 >> 6 3 39.150 . 155.0057499670 . . . . . . . . . . . 25665 4 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Peak_contribution_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.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.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_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 . . 8.886 . 1 1 1 92 GLN H . . . . . . 292 . 25665 4 >> 1 2 . 1 . . 119.801 . 1 1 1 92 GLN N . . . . . . 293 . 25665 4 >> 1 3 . 2 . . 29.512 . 1 1 1 91 PRO CB . . . . . . 760 . 25665 4 >> 2 1 . 1 . . 7.551 . 1 1 1 100 SER H . . . . . . 1 . 25665 4 >> 2 2 . 2 . . 123.339 . 1 1 1 100 SER N . . . . . . 2 . 25665 4 >> 2 3 . 2 . . 68.093 . 1 1 1 99 THR CB . . . . . . 749 . 25665 4 >> 3 1 . 1 . . 8.217 . 1 1 1 3 LEU H . . . . . . 99 . 25665 4 >> 3 2 . 1 . . 124.083 . 1 1 1 3 LEU N . . . . . . 100 . 25665 4 >> 3 3 . 3 . . 63.223 . 1 1 1 2 SER CB . . . . . . 338 . 25665 4 >> 4 1 . 1 . . 7.567 . 1 1 1 161 LEU H . . . . . . 316 . 25665 4 >> 4 2 . 1 . . 128.933 . 1 1 1 161 LEU N . . . . . . 317 . 25665 4 >> 4 3 . 2 . . 37.335 . 1 1 1 160 TYR CB . . . . . . 764 . 25665 4 >> 5 1 . 1 . . 7.795 . 1 1 1 15 TRP H . . . . . . 37 . 25665 4 >> 5 2 . 1 . . 125.107 . 1 1 1 15 TRP N . . . . . . 38 . 25665 4 >> 5 3 . 1 . . 62.110 . 1 1 1 14 SER CB . . . . . . 824 . 25665 4 >> 6 1 . 1 . . 8.523 . 1 1 1 195 THR H . . . . . . 215 . 25665 4 >> 6 2 . 1 . . 126.126 . 1 1 1 195 THR N . . . . . . 216 . 25665 4 >> 6 3 . 2 . . 39.150 . 1 1 1 194 ILE CB . . . . . . 729 . 25665 4 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2_3_4_5 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label '3D HNCA' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 N 15N 3 C 13C stop_ _Sample_label $13C15N-cMSD1 _Sample_conditions_label $cMSD1_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2_3_4_5 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5 >> _Spectral_peak_list.Entry_ID 25665 >> _Spectral_peak_list.ID 5 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $13C15N-cMSD1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $cMSD1_1 >> _Spectral_peak_list.Experiment_ID 5 >> _Spectral_peak_list.Experiment_name '3D HNCA' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _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.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 1H . . 4169.17089844 . . . . 25665 5 >> 2 N 15 15N . . 2595.20507812 . . . . 25665 5 >> 3 C 13 13C . . 7043.34619141 . . . . 25665 5 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 25665 5 >> 10 1.0 . 25665 5 >> 100 1.0 . 25665 5 >> 101 1.0 . 25665 5 >> 102 1.0 . 25665 5 >> 103 1.0 . 25665 5 >> 104 1.0 . 25665 5 >> 105 1.0 . 25665 5 >> 106 1.0 . 25665 5 >> 107 1.0 . 25665 5 >> 108 1.0 . 25665 5 >> 109 1.0 . 25665 5 >> 11 1.0 . 25665 5 >> 110 1.0 . 25665 5 >> 111 1.0 . 25665 5 >> 112 1.0 . 25665 5 >> 113 1.0 . 25665 5 >> 114 1.0 . 25665 5 >> 115 1.0 . 25665 5 >> 116 1.0 . 25665 5 >> 117 1.0 . 25665 5 >> 118 1.0 . 25665 5 >> 119 1.0 . 25665 5 >> 12 1.0 . 25665 5 >> 120 1.0 . 25665 5 >> 121 1.0 . 25665 5 >> 122 1.0 . 25665 5 >> 123 1.0 . 25665 5 >> 124 1.0 . 25665 5 >> 125 1.0 . 25665 5 >> 126 1.0 . 25665 5 >> 127 1.0 . 25665 5 >> 128 1.0 . 25665 5 >> 129 1.0 . 25665 5 >> 13 1.0 . 25665 5 >> 130 1.0 . 25665 5 >> 131 1.0 . 25665 5 >> 132 1.0 . 25665 5 >> 133 1.0 . 25665 5 >> 134 1.0 . 25665 5 >> 135 1.0 . 25665 5 >> 136 1.0 . 25665 5 >> 137 1.0 . 25665 5 >> 138 1.0 . 25665 5 >> 139 1.0 . 25665 5 >> 14 1.0 . 25665 5 >> 140 1.0 . 25665 5 >> 141 1.0 . 25665 5 >> 142 1.0 . 25665 5 >> 143 1.0 . 25665 5 >> 144 1.0 . 25665 5 >> 145 1.0 . 25665 5 >> 146 1.0 . 25665 5 >> 147 1.0 . 25665 5 >> 148 1.0 . 25665 5 >> 149 1.0 . 25665 5 >> 15 1.0 . 25665 5 >> 150 1.0 . 25665 5 >> 151 1.0 . 25665 5 >> 152 1.0 . 25665 5 >> 153 1.0 . 25665 5 >> 154 1.0 . 25665 5 >> 155 1.0 . 25665 5 >> 156 1.0 . 25665 5 >> 157 1.0 . 25665 5 >> 158 1.0 . 25665 5 >> 159 1.0 . 25665 5 >> 16 1.0 . 25665 5 >> 160 1.0 . 25665 5 >> 161 1.0 . 25665 5 >> 162 1.0 . 25665 5 >> 163 1.0 . 25665 5 >> 164 1.0 . 25665 5 >> 165 1.0 . 25665 5 >> 166 1.0 . 25665 5 >> 167 1.0 . 25665 5 >> 168 1.0 . 25665 5 >> 169 1.0 . 25665 5 >> 17 1.0 . 25665 5 >> 18 1.0 . 25665 5 >> 19 1.0 . 25665 5 >> 2 1.0 . 25665 5 >> 20 1.0 . 25665 5 >> 21 1.0 . 25665 5 >> 22 1.0 . 25665 5 >> 23 1.0 . 25665 5 >> 24 1.0 . 25665 5 >> 25 1.0 . 25665 5 >> 26 1.0 . 25665 5 >> 27 1.0 . 25665 5 >> 28 1.0 . 25665 5 >> 29 1.0 . 25665 5 >> 3 1.0 . 25665 5 >> 30 1.0 . 25665 5 >> 31 1.0 . 25665 5 >> 32 1.0 . 25665 5 >> 33 1.0 . 25665 5 >> 34 1.0 . 25665 5 >> 35 1.0 . 25665 5 >> 36 1.0 . 25665 5 >> 37 1.0 . 25665 5 >> 38 1.0 . 25665 5 >> 39 1.0 . 25665 5 >> 4 1.0 . 25665 5 >> 40 1.0 . 25665 5 >> 41 1.0 . 25665 5 >> 42 1.0 . 25665 5 >> 43 1.0 . 25665 5 >> 44 1.0 . 25665 5 >> 45 1.0 . 25665 5 >> 46 1.0 . 25665 5 >> 47 1.0 . 25665 5 >> 48 1.0 . 25665 5 >> 49 1.0 . 25665 5 >> 5 1.0 . 25665 5 >> 50 1.0 . 25665 5 >> 51 1.0 . 25665 5 >> 52 1.0 . 25665 5 >> 53 1.0 . 25665 5 >> 54 1.0 . 25665 5 >> 55 1.0 . 25665 5 >> 56 1.0 . 25665 5 >> 57 1.0 . 25665 5 >> 58 1.0 . 25665 5 >> 59 1.0 . 25665 5 >> 6 1.0 . 25665 5 >> 60 1.0 . 25665 5 >> 61 1.0 . 25665 5 >> 62 1.0 . 25665 5 >> 63 1.0 . 25665 5 >> 64 1.0 . 25665 5 >> 65 1.0 . 25665 5 >> 66 1.0 . 25665 5 >> 67 1.0 . 25665 5 >> 68 1.0 . 25665 5 >> 69 1.0 . 25665 5 >> 7 1.0 . 25665 5 >> 70 1.0 . 25665 5 >> 71 1.0 . 25665 5 >> 72 1.0 . 25665 5 >> 73 1.0 . 25665 5 >> 74 1.0 . 25665 5 >> 75 1.0 . 25665 5 >> 76 1.0 . 25665 5 >> 77 1.0 . 25665 5 >> 78 1.0 . 25665 5 >> 79 1.0 . 25665 5 >> 8 1.0 . 25665 5 >> 80 1.0 . 25665 5 >> 81 1.0 . 25665 5 >> 82 1.0 . 25665 5 >> 83 1.0 . 25665 5 >> 84 1.0 . 25665 5 >> 85 1.0 . 25665 5 >> 86 1.0 . 25665 5 >> 87 1.0 . 25665 5 >> 88 1.0 . 25665 5 >> 89 1.0 . 25665 5 >> 9 1.0 . 25665 5 >> 90 1.0 . 25665 5 >> 91 1.0 . 25665 5 >> 92 1.0 . 25665 5 >> 93 1.0 . 25665 5 >> 94 1.0 . 25665 5 >> 95 1.0 . 25665 5 >> 96 1.0 . 25665 5 >> 97 1.0 . 25665 5 >> 98 1.0 . 25665 5 >> 99 1.0 . 25665 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 17066842.000 . height 25665 5 >> 1 333768103.500 . volume 25665 5 >> 2 12745707.000 . height 25665 5 >> 2 249835614.000 . volume 25665 5 >> 3 20450744.000 . height 25665 5 >> 3 400435105.000 . volume 25665 5 >> 4 19685544.000 . height 25665 5 >> 4 399725829.000 . volume 25665 5 >> 5 16145934.000 . height 25665 5 >> 5 313245154.500 . volume 25665 5 >> 6 11084152.000 . height 25665 5 >> 6 217009826.000 . volume 25665 5 >> 7 27548104.000 . height 25665 5 >> 7 532671082.000 . volume 25665 5 >> 8 21628328.000 . height 25665 5 >> 8 418456577.000 . volume 25665 5 >> 9 18927226.000 . height 25665 5 >> 9 367448035.000 . volume 25665 5 >> 10 7656374.000 . height 25665 5 >> 10 152319629.000 . volume 25665 5 >> 11 8394710.000 . height 25665 5 >> 11 170239220.250 . volume 25665 5 >> 12 11466446.000 . height 25665 5 >> 12 230145331.500 . volume 25665 5 >> 13 20736822.000 . height 25665 5 >> 13 403480442.500 . volume 25665 5 >> 14 23708440.000 . height 25665 5 >> 14 460919318.000 . volume 25665 5 >> 15 21619144.000 . height 25665 5 >> 15 420406767.000 . volume 25665 5 >> 16 15475404.000 . height 25665 5 >> 16 302632873.000 . volume 25665 5 >> 17 22913498.000 . height 25665 5 >> 17 444749169.000 . volume 25665 5 >> 18 16720950.000 . height 25665 5 >> 18 325639383.000 . volume 25665 5 >> 19 22568196.000 . height 25665 5 >> 19 446876559.000 . volume 25665 5 >> 20 23044820.000 . height 25665 5 >> 20 445424270.000 . volume 25665 5 >> 21 15070439.000 . height 25665 5 >> 21 294548001.000 . volume 25665 5 >> 22 11306259.000 . height 25665 5 >> 22 222992604.500 . volume 25665 5 >> 23 9858243.000 . height 25665 5 >> 23 200857006.500 . volume 25665 5 >> 24 13939776.000 . height 25665 5 >> 24 270801469.000 . volume 25665 5 >> 25 22061684.000 . height 25665 5 >> 25 433700865.500 . volume 25665 5 >> 26 25615046.000 . height 25665 5 >> 26 496083419.000 . volume 25665 5 >> 27 26936272.000 . height 25665 5 >> 27 543398841.000 . volume 25665 5 >> 28 16841180.000 . height 25665 5 >> 28 378591430.000 . volume 25665 5 >> 29 16578619.000 . height 25665 5 >> 29 321682306.000 . volume 25665 5 >> 30 12270472.000 . height 25665 5 >> 30 244411536.500 . volume 25665 5 >> 31 8808032.000 . height 25665 5 >> 31 176934917.750 . volume 25665 5 >> 32 12747273.000 . height 25665 5 >> 32 254084199.500 . volume 25665 5 >> 33 9936386.000 . height 25665 5 >> 33 196038691.000 . volume 25665 5 >> 34 16936828.000 . height 25665 5 >> 34 331118565.000 . volume 25665 5 >> 35 15634484.000 . height 25665 5 >> 35 308016715.500 . volume 25665 5 >> 36 9903092.000 . height 25665 5 >> 36 200218931.500 . volume 25665 5 >> 37 28678848.000 . height 25665 5 >> 37 541387416.000 . volume 25665 5 >> 38 8984841.000 . height 25665 5 >> 38 182597601.500 . volume 25665 5 >> 39 15443615.000 . height 25665 5 >> 39 304955645.500 . volume 25665 5 >> 40 19022206.000 . height 25665 5 >> 40 369061869.000 . volume 25665 5 >> 41 9691298.000 . height 25665 5 >> 41 195864890.000 . volume 25665 5 >> 42 13430548.000 . height 25665 5 >> 42 266816175.000 . volume 25665 5 >> 43 28567874.000 . height 25665 5 >> 43 592846930.000 . volume 25665 5 >> 44 14838389.000 . height 25665 5 >> 44 296901655.000 . volume 25665 5 >> 45 20186836.000 . height 25665 5 >> 45 398200440.000 . volume 25665 5 >> 46 24082426.000 . height 25665 5 >> 46 479569443.000 . volume 25665 5 >> 47 25560306.000 . height 25665 5 >> 47 494379229.000 . volume 25665 5 >> 48 12082115.000 . height 25665 5 >> 48 239563500.000 . volume 25665 5 >> 49 27083416.000 . height 25665 5 >> 49 528491839.000 . volume 25665 5 >> 50 12627904.000 . height 25665 5 >> 50 245231721.500 . volume 25665 5 >> 51 14266234.000 . height 25665 5 >> 51 274982126.000 . volume 25665 5 >> 52 9159939.000 . height 25665 5 >> 52 182355975.250 . volume 25665 5 >> 53 16196276.000 . height 25665 5 >> 53 319083712.000 . volume 25665 5 >> 54 17934764.000 . height 25665 5 >> 54 351903100.000 . volume 25665 5 >> 55 14535745.000 . height 25665 5 >> 55 287920771.500 . volume 25665 5 >> 56 18258698.000 . height 25665 5 >> 56 363252672.500 . volume 25665 5 >> 57 15972398.000 . height 25665 5 >> 57 324236501.500 . volume 25665 5 >> 58 6542143.500 . height 25665 5 >> 58 137651909.500 . volume 25665 5 >> 59 22059740.000 . height 25665 5 >> 59 428372763.000 . volume 25665 5 >> 60 10463722.000 . height 25665 5 >> 60 206628363.500 . volume 25665 5 >> 61 9999208.000 . height 25665 5 >> 61 196719636.000 . volume 25665 5 >> 62 11132420.000 . height 25665 5 >> 62 220315684.500 . volume 25665 5 >> 63 17947782.000 . height 25665 5 >> 63 346265576.000 . volume 25665 5 >> 64 23192890.000 . height 25665 5 >> 64 444513541.000 . volume 25665 5 >> 65 26877964.000 . height 25665 5 >> 65 524790637.000 . volume 25665 5 >> 66 28251722.000 . height 25665 5 >> 66 567527851.000 . volume 25665 5 >> 67 11221618.000 . height 25665 5 >> 67 218968926.500 . volume 25665 5 >> 68 9502549.000 . height 25665 5 >> 68 192451312.500 . volume 25665 5 >> 69 24866372.000 . height 25665 5 >> 69 489343995.000 . volume 25665 5 >> 70 31545910.000 . height 25665 5 >> 70 621732844.000 . volume 25665 5 >> 71 18732376.000 . height 25665 5 >> 71 371091276.000 . volume 25665 5 >> 72 24169426.000 . height 25665 5 >> 72 466949641.000 . volume 25665 5 >> 73 24612998.000 . height 25665 5 >> 73 482437926.000 . volume 25665 5 >> 74 8727346.000 . height 25665 5 >> 74 179065444.750 . volume 25665 5 >> 75 5919435.000 . height 25665 5 >> 75 117671303.500 . volume 25665 5 >> 76 8354335.500 . height 25665 5 >> 76 165736610.000 . volume 25665 5 >> 77 5778167.500 . height 25665 5 >> 77 117333122.000 . volume 25665 5 >> 78 5820024.500 . height 25665 5 >> 78 119201117.000 . volume 25665 5 >> 79 4233553.500 . height 25665 5 >> 79 90423395.500 . volume 25665 5 >> 80 6833433.000 . height 25665 5 >> 80 140556768.000 . volume 25665 5 >> 81 6663364.000 . height 25665 5 >> 81 139661435.000 . volume 25665 5 >> 82 12898125.000 . height 25665 5 >> 82 266799238.000 . volume 25665 5 >> 83 26989430.000 . height 25665 5 >> 83 529477604.000 . volume 25665 5 >> 84 16515400.000 . height 25665 5 >> 84 327585659.000 . volume 25665 5 >> 85 21877194.000 . height 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53761548.875 . volume 25665 5 >> 153 3016437.750 . height 25665 5 >> 153 61101880.625 . volume 25665 5 >> 154 3817551.500 . height 25665 5 >> 154 76225851.000 . volume 25665 5 >> 155 5125089.500 . height 25665 5 >> 155 102578113.250 . volume 25665 5 >> 156 3352317.750 . height 25665 5 >> 156 68788594.750 . volume 25665 5 >> 157 17020486.000 . height 25665 5 >> 157 365495003.500 . volume 25665 5 >> 158 4657688.500 . height 25665 5 >> 158 118677832.250 . volume 25665 5 >> 159 4003407.750 . height 25665 5 >> 159 82188075.750 . volume 25665 5 >> 160 3150902.500 . height 25665 5 >> 160 63046291.875 . volume 25665 5 >> 161 12949499.000 . height 25665 5 >> 161 259215074.000 . volume 25665 5 >> 162 21687730.000 . height 25665 5 >> 162 429743970.000 . volume 25665 5 >> 163 12937762.000 . height 25665 5 >> 163 264765678.500 . volume 25665 5 >> 164 30413690.000 . height 25665 5 >> 164 593526088.000 . volume 25665 5 >> 165 2280042.000 . height 25665 5 >> 165 47332045.750 . volume 25665 5 >> 166 4225586.000 . height 25665 5 >> 166 85513077.750 . volume 25665 5 >> 167 9301150.000 . height 25665 5 >> 167 187000428.500 . volume 25665 5 >> 168 19671324.000 . height 25665 5 >> 168 389636057.000 . volume 25665 5 >> 169 22863256.000 . height 25665 5 >> 169 477104048.000 . volume 25665 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 7.803 . 28.4378647129 . . . . . . . . . . . 25665 5 >> 1 2 118.258 . 67.6621751100 . . . . . . . . . . . 25665 5 >> 1 3 65.387 . 107.9642236760 . . . . . . . . . . . 25665 5 >> 2 1 9.015 . 28.3157898088 . . . . . . . . . . . 25665 5 >> 2 2 122.043 . 67.9911154776 . . . . . . . . . . . 25665 5 >> 2 3 65.134 . 108.3927510090 . . . . . . . . . . . 25665 5 >> 3 1 7.629 . 26.8550460917 . . . . . . . . . . . 25665 5 >> 3 2 121.072 . 69.8294071911 . . . . . . . . . . . 25665 5 >> 3 3 57.274 . 109.3585380570 . . . . . . . . . . . 25665 5 >> 4 1 8.446 . 35.8938903679 . . . . . . . . . . . 25665 5 >> 4 2 118.578 . 72.6350295366 . . . . . . . . . . . 25665 5 >> 4 3 57.048 . 112.2315498640 . . . . . . . . . . . 25665 5 >> 5 1 7.741 . 26.1668703120 . . . . . . . . . . . 25665 5 >> 5 2 122.291 . 68.2956154135 . . . . . . . . . . . 25665 5 >> 5 3 61.691 . 107.4863679460 . . . . . . . . . . . 25665 5 >> 6 1 7.686 . 28.0500046597 . . . . . . . . . . . 25665 5 >> 6 2 125.462 . 67.8873596575 . . . . . . . . . . . 25665 5 >> 6 3 65.745 . 107.2214639560 . . . . . . . . . . . 25665 5 >> 7 1 7.973 . 26.2455312537 . . . . . . . . . . . 25665 5 >> 7 2 122.197 . 68.9987418847 . . . . . . . . . . . 25665 5 >> 7 3 54.683 . 104.7623908710 . . . . . . . . . . . 25665 5 >> 8 1 8.299 . 27.1691167369 . . . . . . . . . . . 25665 5 >> 8 2 115.520 . 67.5649547850 . . . . . . . . . . . 25665 5 >> 8 3 55.246 . 107.3597933770 . . . . . . . . . . . 25665 5 >> 9 1 7.243 . 26.1652942276 . . . . . . . . . . . 25665 5 >> 9 2 119.816 . 68.7028270372 . . . . . . . . . . . 25665 5 >> 9 3 56.889 . 107.0959389280 . . . . . . . . . . . 25665 5 >> 10 1 7.700 . 38.1945438123 . . . . . . . . . . . 25665 5 >> 10 2 110.260 . 68.0205058702 . . . . . . . . . . . 25665 5 >> 10 3 45.764 . 106.0354833390 . . . . . . . . . . . 25665 5 >> 11 1 7.555 . 36.3244479814 . . . . . . . . . . . 25665 5 >> 11 2 112.574 . 73.0348162190 . . . . . . . . . . . 25665 5 >> 11 3 46.048 . 108.9448092430 . . . . . . . . . . . 25665 5 >> 12 1 7.566 . 32.9501944710 . . . . . . . . . . . 25665 5 >> 12 2 105.203 . 67.5648000988 . . . . . . . . . . . 25665 5 >> 12 3 59.943 . 114.2139217140 . . . . . . . . . . . 25665 5 >> 13 1 7.728 . 24.1248379965 . . . . . . . . . . . 25665 5 >> 13 2 114.862 . 70.6806457724 . . . . . . . . . . . 25665 5 >> 13 3 60.970 . 110.2745768910 . . . . . . . . . . . 25665 5 >> 14 1 8.181 . 24.9147428629 . . . . . . . . . . . 25665 5 >> 14 2 113.331 . 69.6488883061 . . . . . . . . . . . 25665 5 >> 14 3 60.941 . 119.7880306160 . . . . . . . . . . . 25665 5 >> 15 1 8.469 . 25.7129579926 . . . . . . . . . . . 25665 5 >> 15 2 125.284 . 67.9691500263 . . . . . . . . . . . 25665 5 >> 15 3 54.694 . 119.3104897470 . . . . . . . . . . . 25665 5 >> 16 1 8.616 . 28.1368325844 . . . . . . . . . . . 25665 5 >> 16 2 124.284 . 68.4752061809 . . . . . . . . . . . 25665 5 >> 16 3 66.870 . 107.0811404090 . . . . . . . . . . . 25665 5 >> 17 1 9.957 . 24.5447570400 . . . . . . . . . . . 25665 5 >> 17 2 118.429 . 68.2030356769 . . . . . . . . . . . 25665 5 >> 17 3 58.971 . 111.5092561820 . . . . . . . . . . . 25665 5 >> 18 1 8.154 . 26.6938556373 . . . . . . . . . . . 25665 5 >> 18 2 121.452 . 69.4635741465 . . . . . . . . . . . 25665 5 >> 18 3 62.338 . 107.3621023660 . . . . . . . . . . . 25665 5 >> 19 1 8.689 . 27.6019668369 . . . . . . . . . . . 25665 5 >> 19 2 120.992 . 66.7079928116 . . . . . . . . . . . 25665 5 >> 19 3 57.875 . 115.8268553530 . . . . . . . . . . . 25665 5 >> 20 1 8.676 . 26.1022508499 . . . . . . . . . . . 25665 5 >> 20 2 121.008 . 67.2309871134 . . . . . . . . . . . 25665 5 >> 20 3 60.160 . 107.4756626340 . . . . . . . . . . . 25665 5 >> 21 1 8.483 . 28.3874300107 . . . . . . . . . . . 25665 5 >> 21 2 120.176 . 68.3503743555 . . . . . . . . . . . 25665 5 >> 21 3 66.141 . 109.2162203820 . . . . . . . . . . . 25665 5 >> 22 1 9.323 . 31.8161300746 . . . . . . . . . . . 25665 5 >> 22 2 115.408 . 69.1073316510 . . . . . . . . . . . 25665 5 >> 22 3 58.133 . 108.2134895130 . . . . . . . . . . . 25665 5 >> 23 1 8.594 . 30.8117344437 . . . . . . . . . . . 25665 5 >> 23 2 120.784 . 68.1874897060 . . . . . . . . . . . 25665 5 >> 23 3 58.852 . 129.2257075250 . . . . . . . . . . . 25665 5 >> 24 1 8.886 . 27.1737017098 . . . . . . . . . . . 25665 5 >> 24 2 119.811 . 69.3645749294 . . . . . . . . . . . 25665 5 >> 24 3 58.517 . 106.1016043820 . . . . . . . . . . . 25665 5 >> 25 1 8.521 . 25.7752849683 . . . . . . . . . . . 25665 5 >> 25 2 117.882 . 70.4797082988 . . . . . . . . . . . 25665 5 >> 25 3 55.303 . 112.1064446520 . . . . . . . . . . . 25665 5 >> 26 1 7.911 . 26.1710254437 . . . . . . . . . . . 25665 5 >> 26 2 120.572 . 70.1970191280 . . . . . . . . . . . 25665 5 >> 26 3 54.682 . 104.7779240680 . . . . . . . . . . . 25665 5 >> 27 1 7.658 . 26.6329614657 . . . . . . . . . . . 25665 5 >> 27 2 124.636 . 70.2933113353 . . . . . . . . . . . 25665 5 >> 27 3 59.636 . 137.1027179060 . . . . . . . . . . . 25665 5 >> 28 1 7.661 . 28.2399944752 . . . . . . . . . . . 25665 5 >> 28 2 124.449 . 68.8752248927 . . . . . . . . . . . 25665 5 >> 28 3 60.056 . 214.8837348680 . . . . . . . . . . . 25665 5 >> 29 1 8.845 . 26.8195125515 . . . . . . . . . . . 25665 5 >> 29 2 118.744 . 67.2449088783 . . . . . . . . . . . 25665 5 >> 29 3 60.307 . 108.1154624430 . . . . . . . . . . . 25665 5 >> 30 1 8.807 . 31.2063286759 . . . . . . . . . . . 25665 5 >> 30 2 115.768 . 67.3262738599 . . . . . . . . . . . 25665 5 >> 30 3 60.092 . 113.9280269170 . . . . . . . . . . . 25665 5 >> 31 1 8.704 . 33.4460879487 . . . . . . . . . . . 25665 5 >> 31 2 111.844 . 70.6005182810 . . . . . . . . . . . 25665 5 >> 31 3 44.907 . 107.0867029730 . . . . . . . . . . . 25665 5 >> 32 1 8.554 . 31.4652363656 . . . . . . . . . . . 25665 5 >> 32 2 117.212 . 68.4516165237 . . . . . . . . . . . 25665 5 >> 32 3 58.740 . 112.9112322070 . . . . . . . . . . . 25665 5 >> 33 1 8.264 . 35.6322603505 . . . . . . . . . . . 25665 5 >> 33 2 114.244 . 67.6249730604 . . . . . . . . . . . 25665 5 >> 33 3 45.392 . 104.1735987240 . . . . . . . . . . . 25665 5 >> 34 1 9.043 . 29.5167661538 . . . . . . . . . . . 25665 5 >> 34 2 109.462 . 67.5672750792 . . . . . . . . . . . 25665 5 >> 34 3 51.908 . 108.4909879870 . . . . . . . . . . . 25665 5 >> 35 1 6.681 . 28.3775436629 . . . . . . . . . . . 25665 5 >> 35 2 111.913 . 68.0689226749 . . . . . . . . . . . 25665 5 >> 35 3 62.937 . 109.2795076670 . . . . . . . . . . . 25665 5 >> 36 1 7.093 . 34.4904588123 . . . . . . . . . . . 25665 5 >> 36 2 126.579 . 69.2871157762 . . . . . . . . . . . 25665 5 >> 36 3 56.665 . 111.9815493480 . . . . . . . . . . . 25665 5 >> 37 1 7.742 . 22.1783737103 . . . . . . . . . . . 25665 5 >> 37 2 118.971 . 67.3108052323 . . . . . . . . . . . 25665 5 >> 37 3 59.039 . 106.2487499420 . . . . . . . . . . . 25665 5 >> 38 1 7.822 . 35.1198896263 . . . . . . . . . . . 25665 5 >> 38 2 121.191 . 69.8373735344 . . . . . . . . . . . 25665 5 >> 38 3 54.304 . 114.4364242720 . . . . . . . . . . . 25665 5 >> 39 1 7.444 . 27.7700347506 . . . . . . . . . . . 25665 5 >> 39 2 120.985 . 68.2909748252 . . . . . . . . . . . 25665 5 >> 39 3 59.426 . 110.9695825240 . . . . . . . . . . . 25665 5 >> 40 1 8.165 . 27.0044875529 . . . . . . . . . . . 25665 5 >> 40 2 119.924 . 68.1108426559 . . . . . . . . . . . 25665 5 >> 40 3 57.027 . 108.3129859410 . . . . . . . . . . . 25665 5 >> 41 1 7.504 . 35.6819786506 . . . . . . . . . . . 25665 5 >> 41 2 124.423 . 69.7313360916 . . . . . . . . . . . 25665 5 >> 41 3 58.639 . 114.0380187480 . . . . . . . . . . . 25665 5 >> 42 1 8.000 . 28.9576860180 . . . . . . . . . . . 25665 5 >> 42 2 124.023 . 68.2156426084 . . . . . . . . . . . 25665 5 >> 42 3 58.883 . 113.8946515330 . . . . . . . . . . . 25665 5 >> 43 1 7.953 . 31.5586551889 . . . . . . . . . . . 25665 5 >> 43 2 121.014 . 73.5393255108 . . . . . . . . . . . 25665 5 >> 43 3 57.515 . 123.4763253820 . . . . . . . . . . . 25665 5 >> 44 1 7.975 . 39.3665775157 . . . . . . . . . . . 25665 5 >> 44 2 120.888 . 75.8637961923 . . . . . . . . . . . 25665 5 >> 44 3 53.768 . 113.9150126160 . . . . . . . . . . . 25665 5 >> 45 1 7.524 . 26.3114402395 . . . . . . . . . . . 25665 5 >> 45 2 121.572 . 70.7948042447 . . . . . . . . . . . 25665 5 >> 45 3 57.733 . 110.2376330700 . . . . . . . . . . . 25665 5 >> 46 1 8.173 . 25.2490160450 . . . . . . . . . . . 25665 5 >> 46 2 117.660 . 69.1369540730 . . . . . . . . . . . 25665 5 >> 46 3 66.415 . 127.4537685200 . . . . . . . . . . . 25665 5 >> 47 1 7.919 . 25.2109034576 . . . . . . . . . . . 25665 5 >> 47 2 118.518 . 67.5111239607 . . . . . . . . . . . 25665 5 >> 47 3 55.905 . 107.0539573130 . . . . . . . . . . . 25665 5 >> 48 1 8.338 . 26.7922892748 . . . . . . . . . . . 25665 5 >> 48 2 118.399 . 70.3065370119 . . . . . . . . . . . 25665 5 >> 48 3 61.247 . 116.8402915340 . . . . . . . . . . . 25665 5 >> 49 1 8.009 . 25.8244301468 . . . . . . . . . . . 25665 5 >> 49 2 116.658 . 69.4358853030 . . . . . . . . . . . 25665 5 >> 49 3 54.519 . 108.6255390630 . . . . . . . . . . . 25665 5 >> 50 1 8.763 . 28.3795495885 . . . . . . . . . . . 25665 5 >> 50 2 122.771 . 67.3745359783 . . . . . . . . . . . 25665 5 >> 50 3 65.487 . 106.1935441190 . . . . . . . . . . . 25665 5 >> 51 1 8.872 . 27.3949266533 . . . . . . . . . . . 25665 5 >> 51 2 121.219 . 66.4376785429 . . . . . . . . . . . 25665 5 >> 51 3 59.864 . 104.5503837160 . . . . . . . . . . . 25665 5 >> 52 1 8.731 . 32.0756108859 . . . . . . . . . . . 25665 5 >> 52 2 121.344 . 69.4972957548 . . . . . . . . . . . 25665 5 >> 52 3 48.900 . 113.2630381390 . . . . . . . . . . . 25665 5 >> 53 1 8.926 . 30.5753217773 . . . . . . . . . . . 25665 5 >> 53 2 123.971 . 67.3837398118 . . . . . . . . . . . 25665 5 >> 53 3 53.175 . 106.8335538360 . . . . . . . . . . . 25665 5 >> 54 1 8.975 . 28.2183591342 . . . . . . . . . . . 25665 5 >> 54 2 118.096 . 67.7526665819 . . . . . . . . . . . 25665 5 >> 54 3 55.935 . 110.0909073260 . . . . . . . . . . . 25665 5 >> 55 1 8.510 . 29.0948053645 . . . . . . . . . . . 25665 5 >> 55 2 119.437 . 70.8969745305 . . . . . . . . . . . 25665 5 >> 55 3 57.188 . 109.1765477560 . . . . . . . . . . . 25665 5 >> 56 1 8.622 . 31.5368765675 . . . . . . . . . . . 25665 5 >> 56 2 120.142 . 71.3207375858 . . . . . . . . . . . 25665 5 >> 56 3 56.139 . 111.6559819250 . . . . . . . . . . . 25665 5 >> 57 1 7.720 . 28.0428406395 . . . . . . . . . . . 25665 5 >> 57 2 117.421 . 70.6442944973 . . . . . . . . . . . 25665 5 >> 57 3 56.805 . 125.4339280790 . . . . . . . . . . . 25665 5 >> 58 1 7.744 . 33.2827482883 . . . . . . . . . . . 25665 5 >> 58 2 114.473 . 72.1772355004 . . . . . . . . . . . 25665 5 >> 58 3 61.607 . 255.9577071330 . . . . . . . . . . . 25665 5 >> 59 1 7.665 . 25.3677954998 . . . . . . . . . . . 25665 5 >> 59 2 113.811 . 69.6471867571 . . . . . . . . . . . 25665 5 >> 59 3 58.121 . 111.2218920280 . . . . . . . . . . . 25665 5 >> 60 1 9.475 . 32.0503935349 . . . . . . . . . . . 25665 5 >> 60 2 115.717 . 67.3787125078 . . . . . . . . . . . 25665 5 >> 60 3 44.264 . 106.3990441230 . . . . . . . . . . . 25665 5 >> 61 1 8.707 . 27.4175649571 . . . . . . . . . . . 25665 5 >> 61 2 129.969 . 68.4114947706 . . . . . . . . . . . 25665 5 >> 61 3 58.285 . 111.5380135880 . . . . . . . . . . . 25665 5 >> 62 1 7.676 . 30.5737456929 . . . . . . . . . . . 25665 5 >> 62 2 123.463 . 69.3459352330 . . . . . . . . . . . 25665 5 >> 62 3 61.746 . 109.0216355980 . . . . . . . . . . . 25665 5 >> 63 1 7.146 . 25.5689611868 . . . . . . . . . . . 25665 5 >> 63 2 122.033 . 67.7508103466 . . . . . . . . . . . 25665 5 >> 63 3 58.896 . 107.4458556870 . . . . . . . . . . . 25665 5 >> 64 1 6.299 . 23.4509902572 . . . . . . . . . . . 25665 5 >> 64 2 120.889 . 69.6703896986 . . . . . . . . . . . 25665 5 >> 64 3 66.160 . 109.0911151700 . . . . . . . . . . . 25665 5 >> 65 1 6.690 . 27.6774756097 . . . . . . . . . . . 25665 5 >> 65 2 119.777 . 67.2640126335 . . . . . . . . . . . 25665 5 >> 65 3 53.141 . 108.8990492830 . . . . . . . . . . . 25665 5 >> 66 1 7.012 . 26.5808073987 . . . . . . . . . . . 25665 5 >> 66 2 120.122 . 70.3271876299 . . . . . . . . . . . 25665 5 >> 66 3 54.529 . 123.6119259980 . . . . . . . . . . . 25665 5 >> 67 1 6.339 . 30.2037956902 . . . . . . . . . . . 25665 5 >> 67 2 125.718 . 67.6441928303 . . . . . . . . . . . 25665 5 >> 67 3 53.815 . 107.7006840890 . . . . . . . . . . . 25665 5 >> 68 1 7.358 . 31.1336855111 . . . . . . . . . . . 25665 5 >> 68 2 119.742 . 67.7431533759 . . . . . . . . . . . 25665 5 >> 68 3 59.961 . 121.5520980680 . . . . . . . . . . . 25665 5 >> 69 1 7.438 . 26.2612920981 . . . . . . . . . . . 25665 5 >> 69 2 120.629 . 71.9390186341 . . . . . . . . . . . 25665 5 >> 69 3 57.947 . 107.5793572220 . . . . . . . . . . . 25665 5 >> 70 1 7.386 . 23.3346465693 . . . . . . . . . . . 25665 5 >> 70 2 117.964 . 76.6460446941 . . . . . . . . . . . 25665 5 >> 70 3 53.859 . 108.5380073960 . . . . . . . . . . . 25665 5 >> 71 1 7.516 . 28.4835711617 . . . . . . . . . . . 25665 5 >> 71 2 115.400 . 69.4867770880 . . . . . . . . . . . 25665 5 >> 71 3 59.188 . 109.8625273420 . . . . . . . . . . . 25665 5 >> 72 1 7.286 . 27.0662414069 . . . . . . . . . . . 25665 5 >> 72 2 105.525 . 67.5657282164 . . . . . . . . . . . 25665 5 >> 72 3 44.814 . 103.6916497860 . . . . . . . . . . . 25665 5 >> 73 1 9.172 . 23.6249326675 . . . . . . . . . . . 25665 5 >> 73 2 117.867 . 70.5463007410 . . . . . . . . . . . 25665 5 >> 73 3 51.740 . 114.5212271340 . . . . . . . . . . . 25665 5 >> 74 1 9.171 . 37.9191588761 . . . . . . . . . . . 25665 5 >> 74 2 121.326 . 69.6092886192 . . . . . . . . . . . 25665 5 >> 74 3 52.159 . 118.8041914730 . . . . . . . . . . . 25665 5 >> 75 1 9.559 . 34.5007033611 . . . . . . . . . . . 25665 5 >> 75 2 128.801 . 67.8579305933 . . . . . . . . . . . 25665 5 >> 75 3 54.606 . 106.6591202260 . . . . . . . . . . . 25665 5 >> 76 1 8.969 . 34.4605132079 . . . . . . . . . . . 25665 5 >> 76 2 127.720 . 66.0921867436 . . . . . . . . . . . 25665 5 >> 76 3 61.960 . 111.9001050150 . . . . . . . . . . . 25665 5 >> 77 1 8.152 . 31.9248799011 . . . . . . . . . . . 25665 5 >> 77 2 131.125 . 71.8301775026 . . . . . . . . . . . 25665 5 >> 77 3 52.013 . 110.9821770080 . . . . . . . . . . . 25665 5 >> 78 1 8.324 . 37.3024800180 . . . . . . . . . . . 25665 5 >> 78 2 132.358 . 72.2181838583 . . . . . . . . . . . 25665 5 >> 78 3 53.428 . 113.9687490830 . . . . . . . . . . . 25665 5 >> 79 1 8.538 . 38.3323795608 . . . . . . . . . . . 25665 5 >> 79 2 126.700 . 78.6667115279 . . . . . . . . . . . 25665 5 >> 79 3 60.111 . 134.6083802640 . . . . . . . . . . . 25665 5 >> 80 1 8.552 . 40.8720247189 . . . . . . . . . . . 25665 5 >> 80 2 122.623 . 72.8911126679 . . . . . . . . . . . 25665 5 >> 80 3 59.962 . 115.1910437970 . . . . . . . . . . . 25665 5 >> 81 1 8.121 . 47.3263770706 . . . . . . . . . . . 25665 5 >> 81 2 123.463 . 69.1482461712 . . . . . . . . . . . 25665 5 >> 81 3 56.527 . 131.8768464990 . . . . . . . . . . . 25665 5 >> 82 1 8.092 . 31.3275438975 . . . . . . . . . . . 25665 5 >> 82 2 122.014 . 86.5535460369 . . . . . . . . . . . 25665 5 >> 82 3 53.833 . 107.9454369030 . . . . . . . . . . . 25665 5 >> 83 1 8.042 . 25.4381461781 . . . . . . . . . . . 25665 5 >> 83 2 124.108 . 73.3747393123 . . . . . . . . . . . 25665 5 >> 83 3 54.575 . 108.2630278190 . . . . . . . . . . . 25665 5 >> 84 1 8.649 . 31.0171985428 . . . . . . . . . . . 25665 5 >> 84 2 115.565 . 68.7908435287 . . . . . . . . . . . 25665 5 >> 84 3 46.406 . 107.4343107430 . . . . . . . . . . . 25665 5 >> 85 1 7.809 . 27.2668339723 . . . . . . . . . . . 25665 5 >> 85 2 118.646 . 75.8813530847 . . . . . . . . . . . 25665 5 >> 85 3 54.370 . 113.6799155740 . . . . . . . . . . . 25665 5 >> 86 1 8.013 . 34.4073561780 . . . . . . . . . . . 25665 5 >> 86 2 119.769 . 69.5780419913 . . . . . . . . . . . 25665 5 >> 86 3 56.913 . 125.4557585190 . . . . . . . . . . . 25665 5 >> 87 1 7.804 . 28.0203456161 . . . . . . . . . . . 25665 5 >> 87 2 119.630 . 72.0383272239 . . . . . . . . . . . 25665 5 >> 87 3 55.831 . 110.7959885460 . . . . . . . . . . . 25665 5 >> 88 1 7.880 . 25.8815990280 . . . . . . . . . . . 25665 5 >> 88 2 120.200 . 68.2717937269 . . . . . . . . . . . 25665 5 >> 88 3 55.549 . 112.0936402590 . . . . . . . . . . . 25665 5 >> 89 1 7.829 . 32.8070573476 . . . . . . . . . . . 25665 5 >> 89 2 117.102 . 76.3795975823 . . . . . . . . . . . 25665 5 >> 89 3 60.642 . 110.9181550450 . . . . . . . . . . . 25665 5 >> 90 1 8.483 . 30.8790762335 . . . . . . . . . . . 25665 5 >> 90 2 125.012 . 68.6828725075 . . . . . . . . . . . 25665 5 >> 90 3 57.408 . 107.1866192160 . . . . . . . . . . . 25665 5 >> 91 1 8.953 . 31.3785517213 . . . . . . . . . . . 25665 5 >> 91 2 117.703 . 67.7832944648 . . . . . . . . . . . 25665 5 >> 91 3 60.822 . 112.1799124780 . . . . . . . . . . . 25665 5 >> 92 1 8.246 . 27.2095218107 . . . . . . . . . . . 25665 5 >> 92 2 117.225 . 68.3653015812 . . . . . . . . . . . 25665 5 >> 92 3 56.479 . 109.5713848430 . . . . . . . . . . . 25665 5 >> 93 1 8.524 . 29.3303583484 . . . . . . . . . . . 25665 5 >> 93 2 126.117 . 71.2220090696 . . . . . . . . . . . 25665 5 >> 93 3 63.469 . 112.5597411370 . . . . . . . . . . . 25665 5 >> 94 1 8.983 . 33.3833311318 . . . . . . . . . . . 25665 5 >> 94 2 123.650 . 70.3723560227 . . . . . . . . . . . 25665 5 >> 94 3 62.757 . 111.2385797200 . . . . . . . . . . . 25665 5 >> 95 1 7.887 . 36.9451386908 . . . . . . . . . . . 25665 5 >> 95 2 118.173 . 69.7632014647 . . . . . . . . . . . 25665 5 >> 95 3 60.760 . 112.5862945090 . . . . . . . . . . . 25665 5 >> 96 1 9.142 . 35.4060205928 . . . . . . . . . . . 25665 5 >> 96 2 128.798 . 68.2048145690 . . . . . . . . . . . 25665 5 >> 96 3 49.649 . 107.5102974660 . . . . . . . . . . . 25665 5 >> 97 1 8.492 . 29.3027052304 . . . . . . . . . . . 25665 5 >> 97 2 126.687 . 68.9772791638 . . . . . . . . . . . 25665 5 >> 97 3 51.286 . 113.6509482590 . . . . . . . . . . . 25665 5 >> 98 1 7.709 . 26.9811328470 . . . . . . . . . . . 25665 5 >> 98 2 117.751 . 68.3799194344 . . . . . . . . . . . 25665 5 >> 98 3 55.600 . 109.2321733960 . . . . . . . . . . . 25665 5 >> 99 1 7.433 . 31.2408592532 . . . . . . . . . . . 25665 5 >> 99 2 116.038 . 68.2121621672 . . . . . . . . . . . 25665 5 >> 99 3 56.752 . 109.4838531770 . . . . . . . . . . . 25665 5 >> 100 1 8.040 . 30.5175797746 . . . . . . . . . . . 25665 5 >> 100 2 115.748 . 68.4073762485 . . . . . . . . . . . 25665 5 >> 100 3 59.377 . 110.7275585140 . . . . . . . . . . . 25665 5 >> 101 1 8.420 . 28.2144905633 . . . . . . . . . . . 25665 5 >> 101 2 109.420 . 68.5668577999 . . . . . . . . . . . 25665 5 >> 101 3 47.952 . 104.4540359100 . . . . . . . . . . . 25665 5 >> 102 1 7.546 . 29.8645076939 . . . . . . . . . . . 25665 5 >> 102 2 107.086 . 69.9850215856 . . . . . . . . . . . 25665 5 >> 102 3 46.231 . 103.6526068840 . . . . . . . . . . . 25665 5 >> 103 1 8.531 . 27.2254259356 . . . . . . . . . . . 25665 5 >> 103 2 122.953 . 68.2998692861 . . . . . . . . . . . 25665 5 >> 103 3 56.763 . 112.1927168700 . . . . . . . . . . . 25665 5 >> 104 1 8.052 . 40.6354687721 . . . . . . . . . . . 25665 5 >> 104 2 110.075 . 70.3409547085 . . . . . . . . . . . 25665 5 >> 104 3 59.080 . 110.4613950770 . . . . . . . . . . . 25665 5 >> 105 1 8.766 . 29.3121617371 . . . . . . . . . . . 25665 5 >> 105 2 114.084 . 69.1964309465 . . . . . . . . . . . 25665 5 >> 105 3 45.839 . 105.3902259200 . . . . . . . . . . . 25665 5 >> 106 1 8.259 . 29.7483072864 . . . . . . . . . . . 25665 5 >> 106 2 109.818 . 69.9336657417 . . . . . . . . . . . 25665 5 >> 106 3 44.678 . 105.0883781100 . . . . . . . . . . . 25665 5 >> 107 1 9.074 . 29.9948928614 . . . . . . . . . . . 25665 5 >> 107 2 125.025 . 68.1221347541 . . . . . . . . . . . 25665 5 >> 107 3 54.556 . 143.0945438750 . . . . . . . . . . . 25665 5 >> 108 1 8.459 . 45.0502245752 . . . . . . . . . . . 25665 5 >> 108 2 118.717 . 78.1615834910 . . . . . . . . . . . 25665 5 >> 108 3 57.199 . 114.7924283650 . . . . . . . . . . . 25665 5 >> 109 1 8.051 . 22.9447805905 . . . . . . . . . . . 25665 5 >> 109 2 123.648 . 73.9896946057 . . . . . . . . . . . 25665 5 >> 109 3 55.809 . 119.4261490960 . . . . . . . . . . . 25665 5 >> 110 1 7.551 . 24.1003370474 . . . . . . . . . . . 25665 5 >> 110 2 123.345 . 70.4510913376 . . . . . . . . . . . 25665 5 >> 110 3 57.826 . 109.2252464300 . . . . . . . . . . . 25665 5 >> 111 1 8.470 . 29.6470080409 . . . . . . . . . . . 25665 5 >> 111 2 128.331 . 70.8460440738 . . . . . . . . . . . 25665 5 >> 111 3 57.423 . 106.7751993910 . . . . . . . . . . . 25665 5 >> 112 1 9.135 . 32.6750960956 . . . . . . . . . . . 25665 5 >> 112 2 129.473 . 67.2709348444 . . . . . . . . . . . 25665 5 >> 112 3 59.322 . 108.5888051500 . . . . . . . . . . . 25665 5 >> 113 1 8.663 . 38.0650183273 . . . . . . . . . . . 25665 5 >> 113 2 123.434 . 69.2384282706 . . . . . . . . . . . 25665 5 >> 113 3 56.302 . 110.5531249050 . . . . . . . . . . . 25665 5 >> 114 1 7.918 . 26.8255303285 . . . . . . . . . . . 25665 5 >> 114 2 119.624 . 72.2456068348 . . . . . . . . . . . 25665 5 >> 114 3 54.037 . 107.6631105440 . . . . . . . . . . . 25665 5 >> 115 1 7.596 . 26.1412231197 . . . . . . . . . . . 25665 5 >> 115 2 119.763 . 70.0901309107 . . . . . . . . . . . 25665 5 >> 115 3 57.960 . 106.4827974440 . . . . . . . . . . . 25665 5 >> 116 1 8.216 . 26.2994046856 . . . . . . . . . . . 25665 5 >> 116 2 124.077 . 74.7782852448 . . . . . . . . . . . 25665 5 >> 116 3 54.902 . 105.6272121350 . . . . . . . . . . . 25665 5 >> 117 1 8.866 . 30.4568288834 . . . . . . . . . . . 25665 5 >> 117 2 118.684 . 68.7307479102 . . . . . . . . . . . 25665 5 >> 117 3 54.230 . 185.8343466150 . . . . . . . . . . . 25665 5 >> 118 1 7.669 . 26.2297704093 . . . . . . . . . . . 25665 5 >> 118 2 122.335 . 69.8988613294 . . . . . . . . . . . 25665 5 >> 118 3 56.590 . 109.9769272420 . . . . . . . . . . . 25665 5 >> 119 1 8.727 . 31.7592477543 . . . . . . . . . . . 25665 5 >> 119 2 114.596 . 70.0417914492 . . . . . . . . . . . 25665 5 >> 119 3 56.082 . 110.7495988620 . . . . . . . . . . . 25665 5 >> 120 1 7.852 . 26.0870631271 . . . . . . . . . . . 25665 5 >> 120 2 119.038 . 68.0994732145 . . . . . . . . . . . 25665 5 >> 120 3 52.599 . 113.8994794190 . . . . . . . . . . . 25665 5 >> 121 1 9.062 . 34.2541894263 . . . . . . . . . . . 25665 5 >> 121 2 129.360 . 74.6524672944 . . . . . . . . . . . 25665 5 >> 121 3 54.428 . 115.0982644290 . . . . . . . . . . . 25665 5 >> 122 1 8.600 . 34.8009474474 . . . . . . . . . . . 25665 5 >> 122 2 123.651 . 69.8771279075 . . . . . . . . . . . 25665 5 >> 122 3 52.289 . 112.0925907190 . . . . . . . . . . . 25665 5 >> 123 1 8.181 . 30.5883602941 . . . . . . . . . . . 25665 5 >> 123 2 122.150 . 70.7730708228 . . . . . . . . . . . 25665 5 >> 123 3 58.449 . 116.9173277970 . . . . . . . . . . . 25665 5 >> 124 1 9.057 . 30.4190028568 . . . . . . . . . . . 25665 5 >> 124 2 129.930 . 83.3839082105 . . . . . . . . . . . 25665 5 >> 124 3 53.701 . 112.8218113680 . . . . . . . . . . . 25665 5 >> 125 1 7.679 . 32.5197801379 . . . . . . . . . . . 25665 5 >> 125 2 120.132 . 69.6363587177 . . . . . . . . . . . 25665 5 >> 125 3 52.273 . 111.9943537400 . . . . . . . . . . . 25665 5 >> 126 1 9.077 . 33.7022733107 . . . . . . . . . . . 25665 5 >> 126 2 116.329 . 69.1210987297 . . . . . . . . . . . 25665 5 >> 126 3 56.749 . 107.1437979690 . . . . . . . . . . . 25665 5 >> 127 1 8.317 . 27.3039435969 . . . . . . . . . . . 25665 5 >> 127 2 121.531 . 68.0835405280 . . . . . . . . . . . 25665 5 >> 127 3 50.057 . 106.9431258500 . . . . . . . . . . . 25665 5 >> 128 1 8.286 . 30.8221939132 . . . . . . . . . . . 25665 5 >> 128 2 129.699 . 67.9454056828 . . . . . . . . . . . 25665 5 >> 128 3 55.913 . 108.2437162760 . . . . . . . . . . . 25665 5 >> 129 1 7.570 . 27.2204111214 . . . . . . . . . . . 25665 5 >> 129 2 118.081 . 69.8104581222 . . . . . . . . . . . 25665 5 >> 129 3 59.028 . 106.4469031640 . . . . . . . . . . . 25665 5 >> 130 1 8.758 . 28.3508935077 . . . . . . . . . . . 25665 5 >> 130 2 128.010 . 68.3792620177 . . . . . . . . . . . 25665 5 >> 130 3 51.646 . 109.3247428570 . . . . . . . . . . . 25665 5 >> 131 1 9.104 . 32.5212129419 . . . . . . . . . . . 25665 5 >> 131 2 125.854 . 71.4998256227 . . . . . . . . . . . 25665 5 >> 131 3 60.258 . 109.7349032330 . . . . . . . . . . . 25665 5 >> 132 1 6.890 . 29.0074043181 . . . . . . . . . . . 25665 5 >> 132 2 115.786 . 67.7131442382 . . . . . . . . . . . 25665 5 >> 132 3 51.746 . 114.5946949600 . . . . . . . . . . . 25665 5 >> 133 1 8.097 . 26.7947250416 . . . . . . . . . . . 25665 5 >> 133 2 118.199 . 68.9751522275 . . . . . . . . . . . 25665 5 >> 133 3 54.232 . 111.3008174640 . . . . . . . . . . . 25665 5 >> 134 1 8.998 . 27.5925103302 . . . . . . . . . . . 25665 5 >> 134 2 119.628 . 69.7413906996 . . . . . . . . . . . 25665 5 >> 134 3 55.911 . 112.2445641640 . . . . . . . . . . . 25665 5 >> 135 1 8.368 . 31.0090315598 . . . . . . . . . . . 25665 5 >> 135 2 116.795 . 67.9699234577 . . . . . . . . . . . 25665 5 >> 135 3 52.501 . 109.0993015850 . . . . . . . . . . . 25665 5 >> 136 1 7.973 . 101.0718595140 . . . . . . . . . . . 25665 5 >> 136 2 124.175 . 85.0020426806 . . . . . . . . . . . 25665 5 >> 136 3 54.364 . 126.7051313740 . . . . . . . . . . . 25665 5 >> 137 1 7.436 . 33.0281390107 . . . . . . . . . . . 25665 5 >> 137 2 117.900 . 71.1706918973 . . . . . . . . . . . 25665 5 >> 137 3 60.729 . 113.1387725590 . . . . . . . . . . . 25665 5 >> 138 1 9.761 . 35.7848539805 . . . . . . . . . . . 25665 5 >> 138 2 131.078 . 69.6105841168 . . . . . . . . . . . 25665 5 >> 138 3 56.958 . 110.8398593340 . . . . . . . . . . . 25665 5 >> 139 1 8.340 . 29.0549734122 . . . . . . . . . . . 25665 5 >> 139 2 123.973 . 69.9885793700 . . . . . . . . . . . 25665 5 >> 139 3 54.968 . 106.9471141040 . . . . . . . . . . . 25665 5 >> 140 1 8.991 . 32.6589054100 . . . . . . . . . . . 25665 5 >> 140 2 118.691 . 69.9169596238 . . . . . . . . . . . 25665 5 >> 140 3 58.641 . 107.2204144160 . . . . . . . . . . . 25665 5 >> 141 1 8.758 . 31.7976469025 . . . . . . . . . . . 25665 5 >> 141 2 128.859 . 71.3335765467 . . . . . . . . . . . 25665 5 >> 141 3 54.303 . 109.4129042480 . . . . . . . . . . . 25665 5 >> 142 1 7.263 . 33.8640368867 . . . . . . . . . . . 25665 5 >> 142 2 122.054 . 68.7204612728 . . . . . . . . . . . 25665 5 >> 142 3 52.246 . 107.4393485370 . . . . . . . . . . . 25665 5 >> 143 1 8.481 . 25.4433042726 . . . . . . . . . . . 25665 5 >> 143 2 120.449 . 69.5681420696 . . . . . . . . . . . 25665 5 >> 143 3 54.482 . 110.7794058090 . . . . . . . . . . . 25665 5 >> 144 1 8.065 . 35.1988371288 . . . . . . . . . . . 25665 5 >> 144 2 122.506 . 70.3003495609 . . . . . . . . . . . 25665 5 >> 144 3 53.711 . 107.4477448600 . . . . . . . . . . . 25665 5 >> 145 1 7.986 . 25.1690655797 . . . . . . . . . . . 25665 5 >> 145 2 121.670 . 70.4636209260 . . . . . . . . . . . 25665 5 >> 145 3 53.243 . 116.4066214530 . . . . . . . . . . . 25665 5 >> 146 1 7.382 . 29.5220675287 . . . . . . . . . . . 25665 5 >> 146 2 117.273 . 121.0643637640 . . . . . . . . . . . 25665 5 >> 146 3 53.589 . 130.9118990830 . . . . . . . . . . . 25665 5 >> 147 1 8.411 . 44.2035806690 . . . . . . . . . . . 25665 5 >> 147 2 125.300 . 70.3381703555 . . . . . . . . . . . 25665 5 >> 147 3 61.643 . 114.7899094680 . . . . . . . . . . . 25665 5 >> 148 1 8.757 . 58.8541452420 . . . . . . . . . . . 25665 5 >> 148 2 129.761 . 69.7013269539 . . . . . . . . . . . 25665 5 >> 148 3 60.707 . 116.5808451550 . . . . . . . . . . . 25665 5 >> 149 1 8.738 . 34.4524895052 . . . . . . . . . . . 25665 5 >> 149 2 131.317 . 72.5767804855 . . . . . . . . . . . 25665 5 >> 149 3 53.738 . 162.8252730960 . . . . . . . . . . . 25665 5 >> 150 1 8.417 . 39.4438056534 . . . . . . . . . . . 25665 5 >> 150 2 118.043 . 69.4696842544 . . . . . . . . . . . 25665 5 >> 150 3 53.188 . 122.3751476260 . . . . . . . . . . . 25665 5 >> 151 1 8.579 . 50.4753937862 . . . . . . . . . . . 25665 5 >> 151 2 118.251 . 67.0032889140 . . . . . . . . . . . 25665 5 >> 151 3 61.527 . 113.8436438710 . . . . . . . . . . . 25665 5 >> 152 1 9.006 . 42.4577089482 . . . . . . . . . . . 25665 5 >> 152 2 120.342 . 73.5691026191 . . . . . . . . . . . 25665 5 >> 152 3 54.704 . 112.8257996210 . . . . . . . . . . . 25665 5 >> 153 1 7.571 . 43.0431526783 . . . . . . . . . . . 25665 5 >> 153 2 128.963 . 69.4758717055 . . . . . . . . . . . 25665 5 >> 153 3 56.253 . 113.8967506140 . . . . . . . . . . . 25665 5 >> 154 1 9.354 . 43.5842511234 . . . . . . . . . . . 25665 5 >> 154 2 131.589 . 68.1733552475 . . . . . . . . . . . 25665 5 >> 154 3 60.556 . 107.6528250480 . . . . . . . . . . . 25665 5 >> 155 1 8.958 . 48.5742061077 . . . . . . . . . . . 25665 5 >> 155 2 111.784 . 67.9049552215 . . . . . . . . . . . 25665 5 >> 155 3 46.893 . 102.7869459870 . . . . . . . . . . . 25665 5 >> 156 1 7.179 . 40.2976135799 . . . . . . . . . . . 25665 5 >> 156 2 113.104 . 70.8795723243 . . . . . . . . . . . 25665 5 >> 156 3 54.927 . 126.8892207550 . . . . . . . . . . . 25665 5 >> 157 1 7.980 . 37.0464379364 . . . . . . . . . . . 25665 5 >> 157 2 120.515 . 79.9934557240 . . . . . . . . . . . 25665 5 >> 157 3 57.896 . 125.2294776150 . . . . . . . . . . . 25665 5 >> 158 1 7.604 . 43.1941702239 . . . . . . . . . . . 25665 5 >> 158 2 120.772 . 188.3870024960 . . . . . . . . . . . 25665 5 >> 158 3 58.026 . 286.5532782580 . . . . . . . . . . . 25665 5 >> 159 1 8.846 . 38.7782681776 . . . . . . . . . . . 25665 5 >> 159 2 127.287 . 69.2951594626 . . . . . . . . . . . 25665 5 >> 159 3 55.398 . 245.4282983310 . . . . . . . . . . . 25665 5 >> 160 1 6.133 . 37.5311555425 . . . . . . . . . . . 25665 5 >> 160 2 109.491 . 65.2276451426 . . . . . . . . . . . 25665 5 >> 160 3 60.557 . 115.9236229750 . . . . . . . . . . . 25665 5 >> 161 1 9.206 . 37.8518887265 . . . . . . . . . . . 25665 5 >> 161 2 116.221 . 66.6351355752 . . . . . . . . . . . 25665 5 >> 161 3 52.315 . 111.7466622130 . . . . . . . . . . . 25665 5 >> 162 1 7.692 . 35.5481547534 . . . . . . . . . . . 25665 5 >> 162 2 115.024 . 67.2812601534 . . . . . . . . . . . 25665 5 >> 162 3 58.027 . 112.3465794880 . . . . . . . . . . . 25665 5 >> 163 1 8.912 . 28.6718416123 . . . . . . . . . . . 25665 5 >> 163 2 111.971 . 66.7822422244 . . . . . . . . . . . 25665 5 >> 163 3 61.573 . 139.6390371630 . . . . . . . . . . . 25665 5 >> 164 1 8.588 . 24.5360527555 . . . . . . . . . . . 25665 5 >> 164 2 120.750 . 69.9024964569 . . . . . . . . . . . 25665 5 >> 164 3 55.883 . 111.5214308500 . . . . . . . . . . . 25665 5 >> 165 1 8.396 . 21.6806175874 . . . . . . . . . . . 25665 5 >> 165 2 124.618 . 79.8959260265 . . . . . . . . . . . 25665 5 >> 165 3 56.916 . 192.0598002700 . . . . . . . . . . . 25665 5 >> 166 1 6.984 . 38.8295625621 . . . . . . . . . . . 25665 5 >> 166 2 113.150 . 68.9721358451 . . . . . . . . . . . 25665 5 >> 166 3 50.907 . 108.5879655170 . . . . . . . . . . . 25665 5 >> 167 1 7.797 . 29.1088468440 . . . . . . . . . . . 25665 5 >> 167 2 125.123 . 69.9480515654 . . . . . . . . . . . 25665 5 >> 167 3 61.693 . 118.2934851290 . . . . . . . . . . . 25665 5 >> 168 1 8.173 . 27.9872478428 . . . . . . . . . . . 25665 5 >> 168 2 121.463 . 72.6683644293 . . . . . . . . . . . 25665 5 >> 168 3 53.873 . 111.7674431120 . . . . . . . . . . . 25665 5 >> 169 1 7.943 . 29.8686628256 . . . . . . . . . . . 25665 5 >> 169 2 121.177 . 78.0380664990 . . . . . . . . . . . 25665 5 >> 169 3 57.380 . 117.8883625470 . . . . . . . . . . . 25665 5 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Peak_contribution_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.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.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_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 . . 7.803 . 1 1 1 46 ILE H . . . . . . 197 . 25665 5 >> 1 2 . 1 . . 118.258 . 1 1 1 46 ILE N . . . . . . 198 . 25665 5 >> 1 3 . 1 . . 65.387 . 1 1 1 46 ILE CA . . . . . . 540 . 25665 5 >> 2 1 . 1 . . 9.015 . 1 1 1 51 ILE H . . . . . . 147 . 25665 5 >> 2 2 . 1 . . 122.043 . 1 1 1 51 ILE N . . . . . . 148 . 25665 5 >> 2 3 . 1 . . 65.134 . 1 1 1 51 ILE CA . . . . . . 489 . 25665 5 >> 3 1 . 1 . . 7.629 . 1 1 1 34 ASP H . . . . . . 58 . 25665 5 >> 3 2 . 1 . . 121.072 . 1 1 1 34 ASP N . . . . . . 59 . 25665 5 >> 3 3 . 2 . . 57.274 . 1 1 1 34 ASP CA . . . . . . 329 . 25665 5 >> 4 1 . 1 . . 8.446 . 1 1 1 74 LEU H . . . . . . 63 . 25665 5 >> 4 2 . 1 . . 118.578 . 1 1 1 74 LEU N . . . . . . 64 . 25665 5 >> 4 3 . 1 . . 57.048 . 1 1 1 74 LEU CA . . . . . . 398 . 25665 5 >> 5 1 . 1 . . 7.741 . 1 1 1 114 PHE H . . . . . . 129 . 25665 5 >> 5 2 . 1 . . 122.291 . 1 1 1 114 PHE N . . . . . . 130 . 25665 5 >> 5 3 . 1 . . 61.691 . 1 1 1 114 PHE CA . . . . . . 468 . 25665 5 >> 6 1 . 1 . . 7.686 . 1 1 1 111 ILE H . . . . . . 151 . 25665 5 >> 6 2 . 1 . . 125.462 . 1 1 1 111 ILE N . . . . . . 152 . 25665 5 >> 6 3 . 1 . . 65.745 . 1 1 1 111 ILE CA . . . . . . 492 . 25665 5 >> 7 1 . 1 . . 7.973 . 1 1 1 113 ALA H . . . . . . 143 . 25665 5 >> 7 2 . 1 . . 122.197 . 1 1 1 113 ALA N . . . . . . 144 . 25665 5 >> 7 3 . 1 . . 54.683 . 1 1 1 113 ALA CA . . . . . . 482 . 25665 5 >> 8 1 . 1 . . 8.299 . 1 1 1 30 ASN H . . . . . . 175 . 25665 5 >> 8 2 . 1 . . 115.520 . 1 1 1 30 ASN N . . . . . . 176 . 25665 5 >> 8 3 . 1 . . 55.246 . 1 1 1 30 ASN CA . . . . . . 519 . 25665 5 >> 9 1 . 1 . . 7.243 . 1 1 1 63 LEU H . . . . . . 49 . 25665 5 >> 9 2 . 1 . . 119.816 . 1 1 1 63 LEU N . . . . . . 50 . 25665 5 >> 9 3 . 1 . . 56.889 . 1 1 1 63 LEU CA . . . . . . 388 . 25665 5 >> 10 1 . 1 . . 7.700 . 1 1 1 12 GLY H . . . . . . 250 . 25665 5 >> 10 2 . 1 . . 110.260 . 1 1 1 12 GLY N . . . . . . 251 . 25665 5 >> 10 3 . 1 . . 45.764 . 1 1 1 12 GLY CA . . . . . . 593 . 25665 5 >> 11 1 . 1 . . 7.555 . 1 1 1 178 GLY H . . . . . . 260 . 25665 5 >> 11 2 . 1 . . 112.574 . 1 1 1 178 GLY N . . . . . . 261 . 25665 5 >> 11 3 . 1 . . 46.048 . 1 1 1 178 GLY CA . . . . . . 605 . 25665 5 >> 12 1 . 1 . . 7.566 . 1 1 1 99 THR H . . . . . . 207 . 25665 5 >> 12 2 . 1 . . 105.203 . 1 1 1 99 THR N . . . . . . 208 . 25665 5 >> 12 3 . 1 . . 59.943 . 1 1 1 99 THR CA . . . . . . 551 . 25665 5 >> 13 1 . 1 . . 7.728 . 1 1 1 65 SER H . . . . . . 219 . 25665 5 >> 13 2 . 1 . . 114.862 . 1 1 1 65 SER N . . . . . . 220 . 25665 5 >> 13 3 . 1 . . 60.970 . 1 1 1 65 SER CA . . . . . . 566 . 25665 5 >> 14 1 . 1 . . 8.181 . 1 1 1 116 SER H . . . . . . 8 . 25665 5 >> 14 2 . 1 . . 113.331 . 1 1 1 116 SER N . . . . . . 9 . 25665 5 >> 14 3 . 1 . . 60.941 . 1 1 1 116 SER CA . . . . . . 347 . 25665 5 >> 15 1 . 1 . . 8.469 . 1 1 1 73 ALA H . . . . . . 230 . 25665 5 >> 15 2 . 1 . . 125.284 . 1 1 1 73 ALA N . . . . . . 231 . 25665 5 >> 15 3 . 1 . . 54.694 . 1 1 1 73 ALA CA . . . . . . 578 . 25665 5 >> 16 1 . 1 . . 8.616 . 1 1 1 35 VAL H . . . . . . 87 . 25665 5 >> 16 2 . 1 . . 124.284 . 1 1 1 35 VAL N . . . . . . 88 . 25665 5 >> 16 3 . 1 . . 66.870 . 1 1 1 35 VAL CA . . . . . . 423 . 25665 5 >> 17 1 . 1 . . 9.957 . 1 1 1 109 GLU H . . . . . . 780 . 25665 5 >> 17 2 . 1 . . 118.429 . 1 1 1 109 GLU N . . . . . . 781 . 25665 5 >> 17 3 . 1 . . 58.971 . 1 1 1 109 GLU CA . . . . . . 782 . 25665 5 >> 18 1 . 1 . . 8.154 . 1 1 1 38 TYR H . . . . . . 101 . 25665 5 >> 18 2 . 1 . . 121.452 . 1 1 1 38 TYR N . . . . . . 102 . 25665 5 >> 18 3 . 1 . . 62.338 . 1 1 1 38 TYR CA . . . . . . 440 . 25665 5 >> 19 1 . 1 . . 8.689 . 1 1 1 64 ASP H . . . . . . 254 . 25665 5 >> 19 2 . 1 . . 120.992 . 1 1 1 64 ASP N . . . . . . 255 . 25665 5 >> 19 3 . 1 . . 57.875 . 1 1 1 64 ASP CA . . . . . . 597 . 25665 5 >> 20 1 . 1 . . 8.676 . 1 1 1 119 GLU H . . . . . . 69 . 25665 5 >> 20 2 . 1 . . 121.008 . 1 1 1 119 GLU N . . . . . . 70 . 25665 5 >> 20 3 . 1 . . 60.160 . 1 1 1 119 GLU CA . . . . . . 407 . 25665 5 >> 21 1 . 1 . . 8.483 . 1 1 1 67 ILE H . . . . . . 117 . 25665 5 >> 21 2 . 1 . . 120.176 . 1 1 1 67 ILE N . . . . . . 118 . 25665 5 >> 21 3 . 1 . . 66.141 . 1 1 1 67 ILE CA . . . . . . 456 . 25665 5 >> 22 1 . 1 . . 9.323 . 1 1 1 102 GLU H . . . . . . 280 . 25665 5 >> 22 2 . 1 . . 115.408 . 1 1 1 102 GLU N . . . . . . 281 . 25665 5 >> 22 3 . 1 . . 58.133 . 1 1 1 102 GLU CA . . . . . . 622 . 25665 5 >> 23 1 . 1 . . 8.594 . 1 1 1 198 ILE H . . . . . . 45 . 25665 5 >> 23 2 . 1 . . 120.784 . 1 1 1 198 ILE N . . . . . . 46 . 25665 5 >> 23 3 . 1 . . 58.852 . 1 1 1 198 ILE CA . . . . . . 383 . 25665 5 >> 24 1 . 1 . . 8.886 . 1 1 1 92 GLN H . . . . . . 292 . 25665 5 >> 24 2 . 1 . . 119.811 . 1 1 1 92 GLN N . . . . . . 293 . 25665 5 >> 24 3 . 1 . . 58.517 . 1 1 1 92 GLN CA . . . . . . 632 . 25665 5 >> 25 1 . 1 . . 8.521 . 1 1 1 72 ASN H . . . . . . 155 . 25665 5 >> 25 2 . 1 . . 117.882 . 1 1 1 72 ASN N . . . . . . 156 . 25665 5 >> 25 3 . 1 . . 55.303 . 1 1 1 72 ASN CA . . . . . . 497 . 25665 5 >> 26 1 . 1 . . 7.911 . 1 1 1 33 ALA H . . . . . . 5 . 25665 5 >> 26 2 . 1 . . 120.572 . 1 1 1 33 ALA N . . . . . . 6 . 25665 5 >> 26 3 . 1 . . 54.682 . 1 1 1 33 ALA CA . . . . . . 344 . 25665 5 >> 27 1 . 1 . . 7.658 . 1 1 1 194 ILE H . . . . . . 284 . 25665 5 >> 27 2 . 1 . . 124.636 . 1 1 1 194 ILE N . . . . . . 285 . 25665 5 >> 27 3 . 1 . . 59.636 . 1 1 1 194 ILE CA . . . . . . 624 . 25665 5 >> 28 1 . 2 . . 7.661 . 1 1 1 49 TYR H . . . . . . 791 . 25665 5 >> 28 2 . 2 . . 124.449 . 1 1 1 49 TYR N . . . . . . 792 . 25665 5 >> 28 3 . 2 . . 60.056 . 1 1 1 49 TYR CA . . . . . . 793 . 25665 5 >> 29 1 . 3 . . 8.845 . 1 1 1 115 LYS H . . . . . . 299 . 25665 5 >> 29 2 . 2 . . 118.744 . 1 1 1 115 LYS N . . . . . . 298 . 25665 5 >> 29 3 . 1 . . 60.307 . 1 1 1 115 LYS CA . . . . . . 767 . 25665 5 >> 30 1 . 2 . . 8.807 . 1 1 1 28 THR H . . . . . . 181 . 25665 5 >> 30 2 . 1 . . 115.768 . 1 1 1 28 THR N . . . . . . 182 . 25665 5 >> 30 3 . 1 . . 60.092 . 1 1 1 28 THR CA . . . . . . 675 . 25665 5 >> 31 1 . 2 . . 8.704 . 1 1 1 166 GLY H . . . . . . 787 . 25665 5 >> 31 2 . 2 . . 111.844 . 1 1 1 166 GLY N . . . . . . 55 . 25665 5 >> 31 3 . 1 . . 44.907 . 1 1 1 166 GLY CA . . . . . . 666 . 25665 5 >> 32 1 . 1 . . 8.554 . 1 1 1 39 MET H . . . . . . 225 . 25665 5 >> 32 2 . 1 . . 117.212 . 1 1 1 39 MET N . . . . . . 226 . 25665 5 >> 32 3 . 1 . . 58.740 . 1 1 1 39 MET CA . . . . . . 574 . 25665 5 >> 33 1 . 1 . . 8.264 . 1 1 1 120 GLY H . . . . . . 131 . 25665 5 >> 33 2 . 1 . . 114.244 . 1 1 1 120 GLY N . . . . . . 132 . 25665 5 >> 33 3 . 1 . . 45.392 . 1 1 1 120 GLY CA . . . . . . 470 . 25665 5 >> 34 1 . 1 . . 9.043 . 1 1 1 127 ASN H . . . . . . 135 . 25665 5 >> 34 2 . 1 . . 109.462 . 1 1 1 127 ASN N . . . . . . 136 . 25665 5 >> 34 3 . 1 . . 51.908 . 1 1 1 127 ASN CA . . . . . . 474 . 25665 5 >> 35 1 . 1 . . 6.681 . 1 1 1 56 VAL H . . . . . . 213 . 25665 5 >> 35 2 . 1 . . 111.913 . 1 1 1 56 VAL N . . . . . . 214 . 25665 5 >> 35 3 . 1 . . 62.937 . 1 1 1 56 VAL CA . . . . . . 559 . 25665 5 >> 36 1 . 1 . . 7.093 . 1 1 1 105 PHE H . . . . . . 248 . 25665 5 >> 36 2 . 1 . . 126.579 . 1 1 1 105 PHE N . . . . . . 249 . 25665 5 >> 36 3 . 1 . . 56.665 . 1 1 1 105 PHE CA . . . . . . 591 . 25665 5 >> 37 1 . 1 . . 7.742 . 1 1 1 62 GLU H . . . . . . 269 . 25665 5 >> 37 2 . 1 . . 118.971 . 1 1 1 62 GLU N . . . . . . 270 . 25665 5 >> 37 3 . 1 . . 59.039 . 1 1 1 62 GLU CA . . . . . . 611 . 25665 5 >> 38 1 . 1 . . 7.822 . 1 1 1 18 ALA H . . . . . . 73 . 25665 5 >> 38 2 . 1 . . 121.191 . 1 1 1 18 ALA N . . . . . . 74 . 25665 5 >> 38 3 . 1 . . 54.304 . 1 1 1 18 ALA CA . . . . . . 410 . 25665 5 >> 39 1 . 1 . . 7.444 . 1 1 1 31 GLU H . . . . . . 65 . 25665 5 >> 39 2 . 1 . . 120.985 . 1 1 1 31 GLU N . . . . . . 66 . 25665 5 >> 39 3 . 1 . . 59.426 . 1 1 1 31 GLU CA . . . . . . 401 . 25665 5 >> 40 1 . 4 . . 8.165 . 1 1 1 37 ASP H . . . . . . 778 . 25665 5 >> 40 2 . 4 . . 119.924 . 1 1 1 37 ASP N . . . . . . 779 . 25665 5 >> 40 3 . 1 . . 57.027 . 1 1 1 37 ASP CA . . . . . . 393 . 25665 5 >> 41 1 . 1 . . 7.504 . 1 1 1 11 LYS H . . . . . . 93 . 25665 5 >> 41 2 . 1 . . 124.423 . 1 1 1 11 LYS N . . . . . . 94 . 25665 5 >> 41 3 . 1 . . 58.639 . 1 1 1 11 LYS CA . . . . . . 430 . 25665 5 >> 42 1 . 1 . . 8.000 . 1 1 1 164 ILE H . . . . . . 273 . 25665 5 >> 42 2 . 1 . . 124.023 . 1 1 1 164 ILE N . . . . . . 274 . 25665 5 >> 42 3 . 1 . . 58.883 . 1 1 1 164 ILE CA . . . . . . 616 . 25665 5 >> 43 1 . 1 . . 7.953 . 1 1 1 112 ASP H . . . . . . 282 . 25665 5 >> 43 2 . 1 . . 121.014 . 1 1 1 112 ASP N . . . . . . 283 . 25665 5 >> 43 3 . 1 . . 57.515 . 1 1 1 112 ASP CA . . . . . . 680 . 25665 5 >> 44 1 . 1 . . 7.975 . 1 1 1 4 ASP H . . . . . . 189 . 25665 5 >> 44 2 . 1 . . 120.888 . 1 1 1 4 ASP N . . . . . . 190 . 25665 5 >> 44 3 . 1 . . 53.768 . 1 1 1 4 ASP CA . . . . . . 532 . 25665 5 >> 45 1 . 1 . . 7.524 . 1 1 1 76 ARG H . . . . . . 15 . 25665 5 >> 45 2 . 1 . . 121.572 . 1 1 1 76 ARG N . . . . . . 16 . 25665 5 >> 45 3 . 2 . . 57.733 . 1 1 1 76 ARG CA . . . . . . 825 . 25665 5 >> 46 1 . 1 . . 8.173 . 1 1 1 68 THR H . . . . . . 185 . 25665 5 >> 46 2 . 1 . . 117.660 . 1 1 1 68 THR N . . . . . . 186 . 25665 5 >> 46 3 . 1 . . 66.415 . 1 1 1 68 THR CA . . . . . . 527 . 25665 5 >> 47 1 . 1 . . 7.919 . 1 1 1 40 ARG H . . . . . . 33 . 25665 5 >> 47 2 . 1 . . 118.518 . 1 1 1 40 ARG N . . . . . . 34 . 25665 5 >> 47 3 . 1 . . 55.905 . 1 1 1 40 ARG CA . . . . . . 374 . 25665 5 >> 48 1 . 1 . . 8.338 . 1 1 1 10 SER H . . . . . . 67 . 25665 5 >> 48 2 . 1 . . 118.399 . 1 1 1 10 SER N . . . . . . 68 . 25665 5 >> 48 3 . 1 . . 61.247 . 1 1 1 10 SER CA . . . . . . 403 . 25665 5 >> 49 1 . 1 . . 8.009 . 1 1 1 57 ASN H . . . . . . 119 . 25665 5 >> 49 2 . 1 . . 116.658 . 1 1 1 57 ASN N . . . . . . 120 . 25665 5 >> 49 3 . 1 . . 54.519 . 1 1 1 57 ASN CA . . . . . . 458 . 25665 5 >> 50 1 . 1 . . 8.763 . 1 1 1 70 ILE H . . . . . . 56 . 25665 5 >> 50 2 . 1 . . 122.771 . 1 1 1 70 ILE N . . . . . . 57 . 25665 5 >> 50 3 . 1 . . 65.487 . 1 1 1 70 ILE CA . . . . . . 394 . 25665 5 >> 51 1 . 1 . . 8.872 . 1 1 1 71 GLU H . . . . . . 238 . 25665 5 >> 51 2 . 1 . . 121.219 . 1 1 1 71 GLU N . . . . . . 239 . 25665 5 >> 51 3 . 1 . . 59.864 . 1 1 1 71 GLU CA . . . . . . 678 . 25665 5 >> 52 1 . 1 . . 8.731 . 1 1 1 60 ASN H . . . . . . 109 . 25665 5 >> 52 2 . 2 . . 121.344 . 1 1 1 60 ASN N . . . . . . 110 . 25665 5 >> 52 3 . 1 . . 48.900 . 1 1 1 60 ASN CA . . . . . . 669 . 25665 5 >> 53 1 . 1 . . 8.926 . 1 1 1 123 LEU H . . . . . . 17 . 25665 5 >> 53 2 . 1 . . 123.971 . 1 1 1 123 LEU N . . . . . . 18 . 25665 5 >> 53 3 . 1 . . 53.175 . 1 1 1 123 LEU CA . . . . . . 354 . 25665 5 >> 54 1 . 1 . . 8.975 . 1 1 1 47 ASN H . . . . . . 91 . 25665 5 >> 54 2 . 1 . . 118.096 . 1 1 1 47 ASN N . . . . . . 92 . 25665 5 >> 54 3 . 1 . . 55.935 . 1 1 1 47 ASN CA . . . . . . 429 . 25665 5 >> 55 1 . 1 . . 8.510 . 1 1 1 32 LEU H . . . . . . 244 . 25665 5 >> 55 2 . 1 . . 119.437 . 1 1 1 32 LEU N . . . . . . 245 . 25665 5 >> 55 3 . 5 . . 57.188 . 1 1 1 32 LEU CA . . . . . . 331 . 25665 5 >> 56 1 . 2 . . 8.622 . 1 1 1 36 ASN H . . . . . . 772 . 25665 5 >> 56 2 . 3 . . 120.142 . 1 1 1 36 ASN N . . . . . . 773 . 25665 5 >> 56 3 . 2 . . 56.139 . 1 1 1 36 ASN CA . . . . . . 330 . 25665 5 >> 57 1 . 1 . . 7.720 . 1 1 1 75 LYS H . . . . . . 53 . 25665 5 >> 57 2 . 1 . . 117.421 . 1 1 1 75 LYS N . . . . . . 54 . 25665 5 >> 57 3 . 1 . . 56.805 . 1 1 1 75 LYS CA . . . . . . 391 . 25665 5 >> 58 1 . 1 . . 7.744 . 1 1 1 14 SER H . . . . . . 78 . 25665 5 >> 58 2 . 1 . . 114.473 . 1 1 1 14 SER N . . . . . . 79 . 25665 5 >> 58 3 . 1 . . 61.607 . 1 1 1 14 SER CA . . . . . . 413 . 25665 5 >> 59 1 . 1 . . 7.665 . 1 1 1 52 SER H . . . . . . 159 . 25665 5 >> 59 2 . 1 . . 113.811 . 1 1 1 52 SER N . . . . . . 160 . 25665 5 >> 59 3 . 1 . . 58.121 . 1 1 1 52 SER CA . . . . . . 503 . 25665 5 >> 60 1 . 1 . . 9.475 . 1 1 1 155 GLY H . . . . . . 234 . 25665 5 >> 60 2 . 1 . . 115.717 . 1 1 1 155 GLY N . . . . . . 235 . 25665 5 >> 60 3 . 1 . . 44.264 . 1 1 1 155 GLY CA . . . . . . 580 . 25665 5 >> 61 1 . 1 . . 8.707 . 1 1 1 108 LEU H . . . . . . 209 . 25665 5 >> 61 2 . 1 . . 129.969 . 1 1 1 108 LEU N . . . . . . 210 . 25665 5 >> 61 3 . 1 . . 58.285 . 1 1 1 108 LEU CA . . . . . . 553 . 25665 5 >> 62 1 . 1 . . 7.676 . 1 1 1 23 TRP H . . . . . . 123 . 25665 5 >> 62 2 . 1 . . 123.463 . 1 1 1 23 TRP N . . . . . . 124 . 25665 5 >> 62 3 . 1 . . 61.746 . 1 1 1 23 TRP CA . . . . . . 462 . 25665 5 >> 63 1 . 1 . . 7.146 . 1 1 1 66 LYS H . . . . . . 133 . 25665 5 >> 63 2 . 1 . . 122.033 . 1 1 1 66 LYS N . . . . . . 134 . 25665 5 >> 63 3 . 1 . . 58.896 . 1 1 1 66 LYS CA . . . . . . 471 . 25665 5 >> 64 1 . 1 . . 6.299 . 1 1 1 44 THR H . . . . . . 177 . 25665 5 >> 64 2 . 1 . . 120.889 . 1 1 1 44 THR N . . . . . . 178 . 25665 5 >> 64 3 . 1 . . 66.160 . 1 1 1 44 THR CA . . . . . . 523 . 25665 5 >> 65 1 . 1 . . 6.690 . 1 1 1 27 LEU H . . . . . . 296 . 25665 5 >> 65 2 . 1 . . 119.777 . 1 1 1 27 LEU N . . . . . . 297 . 25665 5 >> 65 3 . 1 . . 53.141 . 1 1 1 27 LEU CA . . . . . . 681 . 25665 5 >> 66 1 . 1 . . 7.012 . 1 1 1 107 LYS H . . . . . . 139 . 25665 5 >> 66 2 . 2 . . 120.122 . 1 1 1 107 LYS N . . . . . . 140 . 25665 5 >> 66 3 . 1 . . 54.529 . 1 1 1 107 LYS CA . . . . . . 672 . 25665 5 >> 67 1 . 1 . . 6.339 . 1 1 1 177 HIS H . . . . . . 19 . 25665 5 >> 67 2 . 1 . . 125.718 . 1 1 1 177 HIS N . . . . . . 20 . 25665 5 >> 67 3 . 1 . . 53.815 . 1 1 1 177 HIS CA . . . . . . 357 . 25665 5 >> 68 1 . 1 . . 7.358 . 1 1 1 129 ILE H . . . . . . 27 . 25665 5 >> 68 2 . 1 . . 119.742 . 1 1 1 129 ILE N . . . . . . 28 . 25665 5 >> 68 3 . 1 . . 59.961 . 1 1 1 129 ILE CA . . . . . . 369 . 25665 5 >> 69 1 . 1 . . 7.438 . 1 1 1 117 LYS H . . . . . . 75 . 25665 5 >> 69 2 . 1 . . 120.629 . 1 1 1 117 LYS N . . . . . . 76 . 25665 5 >> 69 3 . 1 . . 57.947 . 1 1 1 117 LYS CA . . . . . . 411 . 25665 5 >> 70 1 . 1 . . 7.386 . 1 1 1 25 ASN H . . . . . . 165 . 25665 5 >> 70 2 . 1 . . 117.964 . 1 1 1 25 ASN N . . . . . . 166 . 25665 5 >> 70 3 . 1 . . 53.859 . 1 1 1 25 ASN CA . . . . . . 510 . 25665 5 >> 71 1 . 1 . . 7.516 . 1 1 1 81 THR H . . . . . . 25 . 25665 5 >> 71 2 . 1 . . 115.400 . 1 1 1 81 THR N . . . . . . 26 . 25665 5 >> 71 3 . 1 . . 59.188 . 1 1 1 81 THR CA . . . . . . 366 . 25665 5 >> 72 1 . 1 . . 7.286 . 1 1 1 41 GLY H . . . . . . 149 . 25665 5 >> 72 2 . 1 . . 105.525 . 1 1 1 41 GLY N . . . . . . 150 . 25665 5 >> 72 3 . 1 . . 44.814 . 1 1 1 41 GLY CA . . . . . . 490 . 25665 5 >> 73 1 . 1 . . 9.172 . 1 1 1 58 ASN H . . . . . . 153 . 25665 5 >> 73 2 . 1 . . 117.867 . 1 1 1 58 ASN N . . . . . . 154 . 25665 5 >> 73 3 . 1 . . 51.740 . 1 1 1 58 ASN CA . . . . . . 495 . 25665 5 >> 74 1 . 1 . . 9.171 . 1 1 1 77 GLU H . . . . . . 161 . 25665 5 >> 74 2 . 1 . . 121.326 . 1 1 1 77 GLU N . . . . . . 162 . 25665 5 >> 74 3 . 1 . . 52.159 . 1 1 1 77 GLU CA . . . . . . 505 . 25665 5 >> 75 1 . 1 . . 9.559 . 1 1 1 184 ASN H . . . . . . 256 . 25665 5 >> 75 2 . 1 . . 128.801 . 1 1 1 184 ASN N . . . . . . 257 . 25665 5 >> 75 3 . 1 . . 54.606 . 1 1 1 184 ASN CA . . . . . . 599 . 25665 5 >> 76 1 . 1 . . 8.969 . 1 1 1 183 ILE H . . . . . . 195 . 25665 5 >> 76 2 . 1 . . 127.720 . 1 1 1 183 ILE N . . . . . . 196 . 25665 5 >> 76 3 . 1 . . 61.960 . 1 1 1 183 ILE CA . . . . . . 538 . 25665 5 >> 77 1 . 1 . . 8.152 . 1 1 1 168 ALA H . . . . . . 21 . 25665 5 >> 77 2 . 1 . . 131.125 . 1 1 1 168 ALA N . . . . . . 22 . 25665 5 >> 77 3 . 1 . . 52.013 . 1 1 1 168 ALA CA . . . . . . 361 . 25665 5 >> 78 1 . 1 . . 8.324 . 1 1 1 174 LEU H . . . . . . 23 . 25665 5 >> 78 2 . 1 . . 132.358 . 1 1 1 174 LEU N . . . . . . 24 . 25665 5 >> 78 3 . 1 . . 53.428 . 1 1 1 174 LEU CA . . . . . . 363 . 25665 5 >> 79 1 . 1 . . 8.538 . 1 1 1 173 VAL H . . . . . . 29 . 25665 5 >> 79 2 . 1 . . 126.700 . 1 1 1 173 VAL N . . . . . . 30 . 25665 5 >> 79 3 . 1 . . 60.111 . 1 1 1 173 VAL CA . . . . . . 372 . 25665 5 >> 80 1 . 1 . . 8.552 . 1 1 1 17 LYS H . . . . . . 271 . 25665 5 >> 80 2 . 1 . . 122.623 . 1 1 1 17 LYS N . . . . . . 272 . 25665 5 >> 80 3 . 1 . . 59.962 . 1 1 1 17 LYS CA . . . . . . 612 . 25665 5 >> 81 1 . 1 . . 8.121 . 1 1 1 21 ASN H . . . . . . 290 . 25665 5 >> 81 2 . 1 . . 123.463 . 1 1 1 21 ASN N . . . . . . 291 . 25665 5 >> 81 3 . 1 . . 56.527 . 1 1 1 21 ASN CA . . . . . . 629 . 25665 5 >> 82 1 . 1 . . 8.092 . 1 1 1 7 ASP H . . . . . . 211 . 25665 5 >> 82 2 . 1 . . 122.014 . 1 1 1 7 ASP N . . . . . . 212 . 25665 5 >> 82 3 . 1 . . 53.833 . 1 1 1 7 ASP CA . . . . . . 557 . 25665 5 >> 83 1 . 1 . . 8.042 . 1 1 1 45 ALA H . . . . . . 278 . 25665 5 >> 83 2 . 1 . . 124.108 . 1 1 1 45 ALA N . . . . . . 279 . 25665 5 >> 83 3 . 1 . . 54.575 . 1 1 1 45 ALA CA . . . . . . 619 . 25665 5 >> 84 1 . 1 . . 8.649 . 1 1 1 192 GLY H . . . . . . 111 . 25665 5 >> 84 2 . 1 . . 115.565 . 1 1 1 192 GLY N . . . . . . 112 . 25665 5 >> 84 3 . 1 . . 46.406 . 1 1 1 192 GLY CA . . . . . . 450 . 25665 5 >> 85 1 . 1 . . 7.809 . 1 1 1 110 ASN H . . . . . . 183 . 25665 5 >> 85 2 . 1 . . 118.646 . 1 1 1 110 ASN N . . . . . . 184 . 25665 5 >> 85 3 . 1 . . 54.370 . 1 1 1 110 ASN CA . . . . . . 525 . 25665 5 >> 86 1 . 1 . . 8.013 . 1 1 1 172 GLU H . . . . . . 227 . 25665 5 >> 86 2 . 1 . . 119.769 . 1 1 1 172 GLU N . . . . . . 228 . 25665 5 >> 86 3 . 1 . . 56.913 . 1 1 1 172 GLU CA . . . . . . 676 . 25665 5 >> 87 1 . 1 . . 7.804 . 1 1 1 26 LYS H . . . . . . 71 . 25665 5 >> 87 2 . 2 . . 119.630 . 1 1 1 26 LYS N . . . . . . 72 . 25665 5 >> 87 3 . 1 . . 55.831 . 1 1 1 26 LYS CA . . . . . . 668 . 25665 5 >> 88 1 . 1 . . 7.880 . 1 1 1 69 ASN H . . . . . . 242 . 25665 5 >> 88 2 . 1 . . 120.200 . 1 1 1 69 ASN N . . . . . . 243 . 25665 5 >> 88 3 . 1 . . 55.549 . 1 1 1 69 ASN CA . . . . . . 585 . 25665 5 >> 89 1 . 1 . . 7.829 . 1 1 1 128 PHE H . . . . . . 191 . 25665 5 >> 89 2 . 1 . . 117.102 . 1 1 1 128 PHE N . . . . . . 192 . 25665 5 >> 89 3 . 1 . . 60.642 . 1 1 1 128 PHE CA . . . . . . 534 . 25665 5 >> 90 1 . 1 . . 8.483 . 1 1 1 154 LYS H . . . . . . 232 . 25665 5 >> 90 2 . 1 . . 125.012 . 1 1 1 154 LYS N . . . . . . 233 . 25665 5 >> 90 3 . 1 . . 57.408 . 1 1 1 154 LYS CA . . . . . . 677 . 25665 5 >> 91 1 . 1 . . 8.953 . 1 1 1 202 THR H . . . . . . 240 . 25665 5 >> 91 2 . 1 . . 117.703 . 1 1 1 202 THR N . . . . . . 241 . 25665 5 >> 91 3 . 2 . . 60.822 . 1 1 1 202 THR CA . . . . . . 816 . 25665 5 >> 92 1 . 1 . . 8.246 . 1 1 1 124 SER H . . . . . . 286 . 25665 5 >> 92 2 . 1 . . 117.225 . 1 1 1 124 SER N . . . . . . 287 . 25665 5 >> 92 3 . 1 . . 56.479 . 1 1 1 124 SER CA . . . . . . 626 . 25665 5 >> 93 1 . 1 . . 8.524 . 1 1 1 195 THR H . . . . . . 215 . 25665 5 >> 93 2 . 1 . . 126.117 . 1 1 1 195 THR N . . . . . . 216 . 25665 5 >> 93 3 . 1 . . 63.469 . 1 1 1 195 THR CA . . . . . . 561 . 25665 5 >> 94 1 . 2 . . 8.983 . 1 1 1 151 THR H . . . . . . 837 . 25665 5 >> 94 2 . 2 . . 123.650 . 1 1 1 151 THR N . . . . . . 836 . 25665 5 >> 94 3 . 2 . . 62.757 . 1 1 1 151 THR CA . . . . . . 838 . 25665 5 >> 95 1 . 1 . . 7.887 . 1 1 1 179 SER H . . . . . . 81 . 25665 5 >> 95 2 . 1 . . 118.173 . 1 1 1 179 SER N . . . . . . 82 . 25665 5 >> 95 3 . 1 . . 60.760 . 1 1 1 179 SER CA . . . . . . 414 . 25665 5 >> 96 1 . 1 . . 9.142 . 1 1 1 201 ALA H . . . . . . 125 . 25665 5 >> 96 2 . 1 . . 128.798 . 1 1 1 201 ALA N . . . . . . 126 . 25665 5 >> 96 3 . 1 . . 49.649 . 1 1 1 201 ALA CA . . . . . . 464 . 25665 5 >> 97 1 . 1 . . 8.492 . 1 1 1 191 ASP H . . . . . . 103 . 25665 5 >> 97 2 . 1 . . 126.687 . 1 1 1 191 ASP N . . . . . . 104 . 25665 5 >> 97 3 . 1 . . 51.286 . 1 1 1 191 ASP CA . . . . . . 444 . 25665 5 >> 98 1 . 1 . . 7.709 . 1 1 1 185 LYS H . . . . . . 10 . 25665 5 >> 98 2 . 1 . . 117.751 . 1 1 1 185 LYS N . . . . . . 11 . 25665 5 >> 98 3 . 1 . . 55.600 . 1 1 1 185 LYS CA . . . . . . 349 . 25665 5 >> 99 1 . 1 . . 7.433 . 1 1 1 94 PHE H . . . . . . 107 . 25665 5 >> 99 2 . 1 . . 116.038 . 1 1 1 94 PHE N . . . . . . 108 . 25665 5 >> 99 3 . 1 . . 56.752 . 1 1 1 94 PHE CA . . . . . . 449 . 25665 5 >> 100 1 . 1 . . 8.040 . 1 1 1 20 TYR H . . . . . . 95 . 25665 5 >> 100 2 . 1 . . 115.748 . 1 1 1 20 TYR N . . . . . . 96 . 25665 5 >> 100 3 . 1 . . 59.377 . 1 1 1 20 TYR CA . . . . . . 434 . 25665 5 >> 101 1 . 1 . . 8.420 . 1 1 1 54 GLY H . . . . . . 39 . 25665 5 >> 101 2 . 1 . . 109.420 . 1 1 1 54 GLY N . . . . . . 40 . 25665 5 >> 101 3 . 1 . . 47.952 . 1 1 1 54 GLY CA . . . . . . 380 . 25665 5 >> 102 1 . 1 . . 7.546 . 1 1 1 95 GLY H . . . . . . 252 . 25665 5 >> 102 2 . 1 . . 107.086 . 1 1 1 95 GLY N . . . . . . 253 . 25665 5 >> 102 3 . 1 . . 46.231 . 1 1 1 95 GLY CA . . . . . . 594 . 25665 5 >> 103 1 . 1 . . 8.531 . 1 1 1 79 ILE H . . . . . . 173 . 25665 5 >> 103 2 . 1 . . 122.953 . 1 1 1 79 ILE N . . . . . . 174 . 25665 5 >> 103 3 . 1 . . 56.763 . 1 1 1 79 ILE CA . . . . . . 516 . 25665 5 >> 104 1 . 1 . . 8.052 . 1 1 1 97 THR H . . . . . . 266 . 25665 5 >> 104 2 . 1 . . 110.075 . 1 1 1 97 THR N . . . . . . 267 . 25665 5 >> 104 3 . 1 . . 59.080 . 1 1 1 97 THR CA . . . . . . 608 . 25665 5 >> 105 1 . 1 . . 8.766 . 1 1 1 42 GLY H . . . . . . 85 . 25665 5 >> 105 2 . 1 . . 114.084 . 1 1 1 42 GLY N . . . . . . 86 . 25665 5 >> 105 3 . 1 . . 45.839 . 1 1 1 42 GLY CA . . . . . . 419 . 25665 5 >> 106 1 . 4 . . 8.259 . 1 1 1 158 GLY H . . . . . . 798 . 25665 5 >> 106 2 . 2 . . 109.818 . 1 1 1 158 GLY N . . . . . . 799 . 25665 5 >> 106 3 . 3 . . 44.678 . 1 1 1 158 GLY CA . . . . . . 802 . 25665 5 >> 107 1 . 1 . . 9.074 . 1 1 1 182 LYS H . . . . . . 3 . 25665 5 >> 107 2 . 1 . . 125.025 . 1 1 1 182 LYS N . . . . . . 4 . 25665 5 >> 107 3 . 1 . . 54.556 . 1 1 1 182 LYS CA . . . . . . 341 . 25665 5 >> 108 1 . 1 . . 8.459 . 1 1 1 98 LEU H . . . . . . 47 . 25665 5 >> 108 2 . 1 . . 118.717 . 1 1 1 98 LEU N . . . . . . 48 . 25665 5 >> 108 3 . 1 . . 57.199 . 1 1 1 98 LEU CA . . . . . . 384 . 25665 5 >> 109 1 . 1 . . 8.051 . 1 1 1 6 LYS H . . . . . . 167 . 25665 5 >> 109 2 . 1 . . 123.648 . 1 1 1 6 LYS N . . . . . . 168 . 25665 5 >> 109 3 . 1 . . 55.809 . 1 1 1 6 LYS CA . . . . . . 673 . 25665 5 >> 110 1 . 1 . . 7.551 . 1 1 1 100 SER H . . . . . . 1 . 25665 5 >> 110 2 . 2 . . 123.345 . 1 1 1 100 SER N . . . . . . 2 . 25665 5 >> 110 3 . 1 . . 57.826 . 1 1 1 100 SER CA . . . . . . 664 . 25665 5 >> 111 1 . 1 . . 8.470 . 1 1 1 204 ILE H . . . . . . 41 . 25665 5 >> 111 2 . 1 . . 128.331 . 1 1 1 204 ILE N . . . . . . 42 . 25665 5 >> 111 3 . 1 . . 57.423 . 1 1 1 204 ILE CA . . . . . . 665 . 25665 5 >> 112 1 . 1 . . 9.135 . 1 1 1 150 ILE H . . . . . . 203 . 25665 5 >> 112 2 . 1 . . 129.473 . 1 1 1 150 ILE N . . . . . . 204 . 25665 5 >> 112 3 . 1 . . 59.322 . 1 1 1 150 ILE CA . . . . . . 547 . 25665 5 >> 113 1 . 1 . . 8.663 . 1 1 1 13 ASP H . . . . . . 13 . 25665 5 >> 113 2 . 1 . . 123.434 . 1 1 1 13 ASP N . . . . . . 14 . 25665 5 >> 113 3 . 1 . . 56.302 . 1 1 1 13 ASP CA . . . . . . 351 . 25665 5 >> 114 1 . 1 . . 7.918 . 1 1 1 121 GLN H . . . . . . 60 . 25665 5 >> 114 2 . 1 . . 119.624 . 1 1 1 121 GLN N . . . . . . 61 . 25665 5 >> 114 3 . 1 . . 54.037 . 1 1 1 121 GLN CA . . . . . . 667 . 25665 5 >> 115 1 . 1 . . 7.596 . 1 1 1 156 SER H . . . . . . 113 . 25665 5 >> 115 2 . 2 . . 119.763 . 1 1 1 156 SER N . . . . . . 114 . 25665 5 >> 115 3 . 1 . . 57.960 . 1 1 1 156 SER CA . . . . . . 670 . 25665 5 >> 116 1 . 1 . . 8.216 . 1 1 1 3 LEU H . . . . . . 99 . 25665 5 >> 116 2 . 1 . . 124.077 . 1 1 1 3 LEU N . . . . . . 100 . 25665 5 >> 116 3 . 1 . . 54.902 . 1 1 1 3 LEU CA . . . . . . 438 . 25665 5 >> 117 1 . 1 . . 8.866 . 1 1 1 181 PHE H . . . . . . 217 . 25665 5 >> 117 2 . 1 . . 118.684 . 1 1 1 181 PHE N . . . . . . 218 . 25665 5 >> 117 3 . 1 . . 54.230 . 1 1 1 181 PHE CA . . . . . . 564 . 25665 5 >> 118 1 . 1 . . 7.669 . 1 1 1 167 TYR H . . . . . . 236 . 25665 5 >> 118 2 . 1 . . 122.335 . 1 1 1 167 TYR N . . . . . . 237 . 25665 5 >> 118 3 . 1 . . 56.590 . 1 1 1 167 TYR CA . . . . . . 581 . 25665 5 >> 119 1 . 1 . . 8.727 . 1 1 1 188 SER H . . . . . . 171 . 25665 5 >> 119 2 . 1 . . 114.596 . 1 1 1 188 SER N . . . . . . 172 . 25665 5 >> 119 3 . 1 . . 56.082 . 1 1 1 188 SER CA . . . . . . 513 . 25665 5 >> 120 1 . 1 . . 7.852 . 1 1 1 53 ASN H . . . . . . 121 . 25665 5 >> 120 2 . 1 . . 119.038 . 1 1 1 53 ASN N . . . . . . 122 . 25665 5 >> 120 3 . 1 . . 52.599 . 1 1 1 53 ASN CA . . . . . . 671 . 25665 5 >> 121 1 . 1 . . 9.062 . 1 1 1 149 ARG H . . . . . . 51 . 25665 5 >> 121 2 . 1 . . 129.360 . 1 1 1 149 ARG N . . . . . . 52 . 25665 5 >> 121 3 . 1 . . 54.428 . 1 1 1 149 ARG CA . . . . . . 389 . 25665 5 >> 122 1 . 1 . . 8.600 . 1 1 1 175 LEU H . . . . . . 199 . 25665 5 >> 122 2 . 1 . . 123.651 . 1 1 1 175 LEU N . . . . . . 200 . 25665 5 >> 122 3 . 1 . . 52.289 . 1 1 1 175 LEU CA . . . . . . 542 . 25665 5 >> 123 1 . 1 . . 8.181 . 1 1 1 130 SER H . . . . . . 163 . 25665 5 >> 123 2 . 1 . . 122.150 . 1 1 1 130 SER N . . . . . . 164 . 25665 5 >> 123 3 . 1 . . 58.449 . 1 1 1 130 SER CA . . . . . . 508 . 25665 5 >> 124 1 . 1 . . 9.057 . 1 1 1 200 ASP H . . . . . . 145 . 25665 5 >> 124 2 . 1 . . 129.930 . 1 1 1 200 ASP N . . . . . . 146 . 25665 5 >> 124 3 . 1 . . 53.701 . 1 1 1 200 ASP CA . . . . . . 486 . 25665 5 >> 125 1 . 1 . . 7.679 . 1 1 1 96 LEU H . . . . . . 115 . 25665 5 >> 125 2 . 1 . . 120.132 . 1 1 1 96 LEU N . . . . . . 116 . 25665 5 >> 125 3 . 1 . . 52.273 . 1 1 1 96 LEU CA . . . . . . 453 . 25665 5 >> 126 1 . 1 . . 9.077 . 1 1 1 86 TYR H . . . . . . 137 . 25665 5 >> 126 2 . 1 . . 116.329 . 1 1 1 86 TYR N . . . . . . 138 . 25665 5 >> 126 3 . 1 . . 56.749 . 1 1 1 86 TYR CA . . . . . . 478 . 25665 5 >> 127 1 . 1 . . 8.317 . 1 1 1 122 ALA H . . . . . . 83 . 25665 5 >> 127 2 . 1 . . 121.531 . 1 1 1 122 ALA N . . . . . . 84 . 25665 5 >> 127 3 . 1 . . 50.057 . 1 1 1 122 ALA CA . . . . . . 417 . 25665 5 >> 128 1 . 2 . . 8.286 . 1 1 1 203 LEU H . . . . . . 776 . 25665 5 >> 128 2 . 1 . . 129.699 . 1 1 1 203 LEU N . . . . . . 62 . 25665 5 >> 128 3 . 1 . . 55.913 . 1 1 1 203 LEU CA . . . . . . 396 . 25665 5 >> 129 1 . 1 . . 7.570 . 1 1 1 43 TYR H . . . . . . 221 . 25665 5 >> 129 2 . 1 . . 118.081 . 1 1 1 43 TYR N . . . . . . 222 . 25665 5 >> 129 3 . 1 . . 59.028 . 1 1 1 43 TYR CA . . . . . . 569 . 25665 5 >> 130 1 . 1 . . 8.758 . 1 1 1 187 ASP H . . . . . . 223 . 25665 5 >> 130 2 . 1 . . 128.010 . 1 1 1 187 ASP N . . . . . . 224 . 25665 5 >> 130 3 . 1 . . 51.646 . 1 1 1 187 ASP CA . . . . . . 572 . 25665 5 >> 131 1 . 1 . . 9.104 . 1 1 1 186 ILE H . . . . . . 97 . 25665 5 >> 131 2 . 1 . . 125.854 . 1 1 1 186 ILE N . . . . . . 98 . 25665 5 >> 131 3 . 1 . . 60.258 . 1 1 1 186 ILE CA . . . . . . 436 . 25665 5 >> 132 1 . 1 . . 6.890 . 1 1 1 104 ASP H . . . . . . 89 . 25665 5 >> 132 2 . 1 . . 115.786 . 1 1 1 104 ASP N . . . . . . 90 . 25665 5 >> 132 3 . 1 . . 51.746 . 1 1 1 104 ASP CA . . . . . . 425 . 25665 5 >> 133 1 . 1 . . 8.097 . 1 1 1 106 ASN H . . . . . . 187 . 25665 5 >> 133 2 . 1 . . 118.199 . 1 1 1 106 ASN N . . . . . . 188 . 25665 5 >> 133 3 . 1 . . 54.232 . 1 1 1 106 ASN CA . . . . . . 530 . 25665 5 >> 134 1 . 1 . . 8.998 . 1 1 1 189 TYR H . . . . . . 141 . 25665 5 >> 134 2 . 1 . . 119.628 . 1 1 1 189 TYR N . . . . . . 142 . 25665 5 >> 134 3 . 1 . . 55.911 . 1 1 1 189 TYR CA . . . . . . 480 . 25665 5 >> 135 1 . 1 . . 8.368 . 1 1 1 197 LEU H . . . . . . 258 . 25665 5 >> 135 2 . 1 . . 116.795 . 1 1 1 197 LEU N . . . . . . 259 . 25665 5 >> 135 3 . 1 . . 52.501 . 1 1 1 197 LEU CA . . . . . . 603 . 25665 5 >> 136 1 . 1 . . 7.973 . 1 1 1 125 TYR H . . . . . . 179 . 25665 5 >> 136 2 . 1 . . 124.175 . 1 1 1 125 TYR N . . . . . . 180 . 25665 5 >> 136 3 . 1 . . 54.364 . 1 1 1 125 TYR CA . . . . . . 674 . 25665 5 >> 137 1 . 1 . . 7.436 . 1 1 1 146 ILE H . . . . . . 201 . 25665 5 >> 137 2 . 1 . . 117.900 . 1 1 1 146 ILE N . . . . . . 202 . 25665 5 >> 137 3 . 1 . . 60.729 . 1 1 1 146 ILE CA . . . . . . 544 . 25665 5 >> 138 1 . 2 . . 9.761 . 1 1 1 152 ILE H . . . . . . 831 . 25665 5 >> 138 2 . 2 . . 131.078 . 1 1 1 152 ILE N . . . . . . 832 . 25665 5 >> 138 3 . 2 . . 56.958 . 1 1 1 152 ILE CA . . . . . . 833 . 25665 5 >> 139 1 . 1 . . 8.340 . 1 1 1 170 GLU H . . . . . . 262 . 25665 5 >> 139 2 . 2 . . 123.973 . 1 1 1 170 GLU N . . . . . . 263 . 25665 5 >> 139 3 . 1 . . 54.968 . 1 1 1 170 GLU CA . . . . . . 679 . 25665 5 >> 140 1 . 1 . . 8.991 . 1 1 1 85 VAL H . . . . . . 157 . 25665 5 >> 140 2 . 1 . . 118.691 . 1 1 1 85 VAL N . . . . . . 158 . 25665 5 >> 140 3 . 1 . . 58.641 . 1 1 1 85 VAL CA . . . . . . 500 . 25665 5 >> 141 1 . 1 . . 8.758 . 1 1 1 196 LYS H . . . . . . 35 . 25665 5 >> 141 2 . 1 . . 128.859 . 1 1 1 196 LYS N . . . . . . 36 . 25665 5 >> 141 3 . 1 . . 54.303 . 1 1 1 196 LYS CA . . . . . . 376 . 25665 5 >> 142 1 . 1 . . 7.263 . 1 1 1 163 ALA H . . . . . . 246 . 25665 5 >> 142 2 . 1 . . 122.054 . 1 1 1 163 ALA N . . . . . . 247 . 25665 5 >> 142 3 . 1 . . 52.246 . 1 1 1 163 ALA CA . . . . . . 587 . 25665 5 >> 143 1 . 1 . . 8.481 . 1 1 1 190 LYS H . . . . . . 105 . 25665 5 >> 143 2 . 1 . . 120.449 . 1 1 1 190 LYS N . . . . . . 106 . 25665 5 >> 143 3 . 1 . . 54.482 . 1 1 1 190 LYS CA . . . . . . 446 . 25665 5 >> 144 1 . 1 . . 8.065 . 1 1 1 180 LYS H . . . . . . 264 . 25665 5 >> 144 2 . 1 . . 122.506 . 1 1 1 180 LYS N . . . . . . 265 . 25665 5 >> 144 3 . 1 . . 53.711 . 1 1 1 180 LYS CA . . . . . . 607 . 25665 5 >> 145 1 . 1 . . 7.986 . 1 1 1 82 ASN H . . . . . . 127 . 25665 5 >> 145 2 . 1 . . 121.670 . 1 1 1 82 ASN N . . . . . . 128 . 25665 5 >> 145 3 . 1 . . 53.243 . 1 1 1 82 ASN CA . . . . . . 465 . 25665 5 >> 146 1 . 1 . . 7.382 . 1 1 1 103 TYR H . . . . . . 300 . 25665 5 >> 146 2 . 1 . . 117.273 . 1 1 1 103 TYR N . . . . . . 301 . 25665 5 >> 146 3 . 1 . . 53.589 . 1 1 1 103 TYR CA . . . . . . 638 . 25665 5 >> 147 1 . 1 . . 8.411 . 1 1 1 84 THR H . . . . . . 303 . 25665 5 >> 147 2 . 1 . . 125.300 . 1 1 1 84 THR N . . . . . . 302 . 25665 5 >> 147 3 . 1 . . 61.643 . 1 1 1 84 THR CA . . . . . . 639 . 25665 5 >> 148 1 . 1 . . 8.757 . 1 1 1 147 VAL H . . . . . . 306 . 25665 5 >> 148 2 . 1 . . 129.761 . 1 1 1 147 VAL N . . . . . . 307 . 25665 5 >> 148 3 . 5 . . 60.707 . 1 1 1 147 VAL CA . . . . . . 842 . 25665 5 >> 149 1 . 1 . . 8.738 . 1 1 1 83 LEU H . . . . . . 308 . 25665 5 >> 149 2 . 1 . . 131.317 . 1 1 1 83 LEU N . . . . . . 309 . 25665 5 >> 149 3 . 1 . . 53.738 . 1 1 1 83 LEU CA . . . . . . 642 . 25665 5 >> 150 1 . 1 . . 8.417 . 1 1 1 22 ASP H . . . . . . 310 . 25665 5 >> 150 2 . 1 . . 118.043 . 1 1 1 22 ASP N . . . . . . 311 . 25665 5 >> 150 3 . 1 . . 53.188 . 1 1 1 22 ASP CA . . . . . . 644 . 25665 5 >> 151 1 . 1 . . 8.579 . 1 1 1 193 THR H . . . . . . 312 . 25665 5 >> 151 2 . 1 . . 118.251 . 1 1 1 193 THR N . . . . . . 313 . 25665 5 >> 151 3 . 1 . . 61.527 . 1 1 1 193 THR CA . . . . . . 646 . 25665 5 >> 152 1 . 1 . . 9.006 . 1 1 1 87 ARG H . . . . . . 314 . 25665 5 >> 152 2 . 1 . . 120.342 . 1 1 1 87 ARG N . . . . . . 315 . 25665 5 >> 152 3 . 1 . . 54.704 . 1 1 1 87 ARG CA . . . . . . 648 . 25665 5 >> 153 1 . 1 . . 7.571 . 1 1 1 161 LEU H . . . . . . 316 . 25665 5 >> 153 2 . 1 . . 128.963 . 1 1 1 161 LEU N . . . . . . 317 . 25665 5 >> 153 3 . 1 . . 56.253 . 1 1 1 161 LEU CA . . . . . . 650 . 25665 5 >> 154 1 . 1 . . 9.354 . 1 1 1 199 VAL H . . . . . . 318 . 25665 5 >> 154 2 . 1 . . 131.589 . 1 1 1 199 VAL N . . . . . . 319 . 25665 5 >> 154 3 . 1 . . 60.556 . 1 1 1 199 VAL CA . . . . . . 653 . 25665 5 >> 155 1 . 1 . . 8.958 . 1 1 1 16 GLY H . . . . . . 321 . 25665 5 >> 155 2 . 1 . . 111.784 . 1 1 1 16 GLY N . . . . . . 322 . 25665 5 >> 155 3 . 1 . . 46.893 . 1 1 1 16 GLY CA . . . . . . 656 . 25665 5 >> 156 1 . 2 . . 7.179 . 1 1 1 19 ASN H . . . . . . 788 . 25665 5 >> 156 2 . 1 . . 113.104 . 1 1 1 19 ASN N . . . . . . 320 . 25665 5 >> 156 3 . 1 . . 54.927 . 1 1 1 19 ASN CA . . . . . . 655 . 25665 5 >> 157 1 . 1 . . 7.980 . 1 1 1 50 LEU H . . . . . . 294 . 25665 5 >> 157 2 . 1 . . 120.515 . 1 1 1 50 LEU N . . . . . . 295 . 25665 5 >> 157 3 . 1 . . 57.896 . 1 1 1 50 LEU CA . . . . . . 635 . 25665 5 >> 158 1 . 1 . . 7.604 . 1 1 1 93 GLU H . . . . . . 323 . 25665 5 >> 158 2 . 1 . . 120.772 . 1 1 1 93 GLU N . . . . . . 324 . 25665 5 >> 158 3 . 1 . . 58.026 . 1 1 1 93 GLU CA . . . . . . 659 . 25665 5 >> 159 1 . 1 . . 8.846 . 1 1 1 88 ARG H . . . . . . 325 . 25665 5 >> 159 2 . 1 . . 127.287 . 1 1 1 88 ARG N . . . . . . 326 . 25665 5 >> 159 3 . 1 . . 55.398 . 1 1 1 88 ARG CA . . . . . . 662 . 25665 5 >> 160 1 . 1 . . 6.133 . 1 1 1 162 SER H . . . . . . 327 . 25665 5 >> 160 2 . 1 . . 109.491 . 1 1 1 162 SER N . . . . . . 328 . 25665 5 >> 160 3 . 1 . . 60.557 . 1 1 1 162 SER CA . . . . . . 663 . 25665 5 >> 161 1 . 1 . . 9.206 . 1 1 1 176 ASN H . . . . . . 43 . 25665 5 >> 161 2 . 1 . . 116.221 . 1 1 1 176 ASN N . . . . . . 44 . 25665 5 >> 161 3 . 1 . . 52.315 . 1 1 1 176 ASN CA . . . . . . 775 . 25665 5 >> 162 1 . 1 . . 7.692 . 1 1 1 118 TRP H . . . . . . 205 . 25665 5 >> 162 2 . 1 . . 115.024 . 1 1 1 118 TRP N . . . . . . 206 . 25665 5 >> 162 3 . 1 . . 58.027 . 1 1 1 118 TRP CA . . . . . . 332 . 25665 5 >> 163 1 . 1 . . 8.912 . 1 1 1 24 SER H . . . . . . 31 . 25665 5 >> 163 2 . 1 . . 111.971 . 1 1 1 24 SER N . . . . . . 32 . 25665 5 >> 163 3 . 1 . . 61.573 . 1 1 1 24 SER CA . . . . . . 807 . 25665 5 >> 164 1 . 1 . . 8.588 . 1 1 1 48 ASN H . . . . . . 288 . 25665 5 >> 164 2 . 1 . . 120.750 . 1 1 1 48 ASN N . . . . . . 289 . 25665 5 >> 164 3 . 1 . . 55.883 . 1 1 1 48 ASN CA . . . . . . 751 . 25665 5 >> 165 1 . 1 . . 8.396 . 1 1 1 171 TYR H . . . . . . 304 . 25665 5 >> 165 2 . 1 . . 124.618 . 1 1 1 171 TYR N . . . . . . 305 . 25665 5 >> 165 3 . 1 . . 56.916 . 1 1 1 171 TYR CA . . . . . . 820 . 25665 5 >> 166 1 . 1 . . 6.984 . 1 1 1 159 ALA H . . . . . . 800 . 25665 5 >> 166 2 . 1 . . 113.150 . 1 1 1 159 ALA N . . . . . . 801 . 25665 5 >> 166 3 . 1 . . 50.907 . 1 1 1 159 ALA CA . . . . . . 804 . 25665 5 >> 167 1 . 1 . . 7.797 . 1 1 1 15 TRP H . . . . . . 37 . 25665 5 >> 167 2 . 1 . . 125.123 . 1 1 1 15 TRP N . . . . . . 38 . 25665 5 >> 167 3 . 1 . . 61.693 . 1 1 1 15 TRP CA . . . . . . 818 . 25665 5 >> 168 1 . 1 . . 8.173 . 1 1 1 8 ASP H . . . . . . 193 . 25665 5 >> 168 2 . 1 . . 121.463 . 1 1 1 8 ASP N . . . . . . 194 . 25665 5 >> 168 3 . 2 . . 53.873 . 1 1 1 8 ASP CA . . . . . . 829 . 25665 5 >> 169 1 . 1 . . 7.943 . 1 1 1 5 PHE H . . . . . . 275 . 25665 5 >> 169 2 . 1 . . 121.177 . 1 1 1 5 PHE N . . . . . . 276 . 25665 5 >> 169 3 . 1 . . 57.380 . 1 1 1 5 PHE CA . . . . . . 828 . 25665 5 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2_3_4_5_6 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label 'HNcaCO (HNcaCO)' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 N 15N 3 C 13C stop_ _Sample_label $13C15N-cMSD1 _Sample_conditions_label $cMSD1_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2_3_4_5_6 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6 >> _Spectral_peak_list.Entry_ID 25665 >> _Spectral_peak_list.ID 6 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $13C15N-cMSD1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $cMSD1_1 >> _Spectral_peak_list.Experiment_ID 6 >> _Spectral_peak_list.Experiment_name 'HNcaCO (HNcaCO)' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _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.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 1H . . 4169.17089844 . . . . 25665 6 >> 2 N 15 15N . . 2595.20507812 . . . . 25665 6 >> 3 C 13 13C . . 4427.78613281 . . . . 25665 6 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 25665 6 >> 10 1.0 . 25665 6 >> 100 1.0 . 25665 6 >> 101 1.0 . 25665 6 >> 102 1.0 . 25665 6 >> 103 1.0 . 25665 6 >> 104 1.0 . 25665 6 >> 105 1.0 . 25665 6 >> 106 1.0 . 25665 6 >> 107 1.0 . 25665 6 >> 108 1.0 . 25665 6 >> 109 1.0 . 25665 6 >> 11 1.0 . 25665 6 >> 110 1.0 . 25665 6 >> 111 1.0 . 25665 6 >> 112 1.0 . 25665 6 >> 113 1.0 . 25665 6 >> 114 1.0 . 25665 6 >> 115 1.0 . 25665 6 >> 116 1.0 . 25665 6 >> 117 1.0 . 25665 6 >> 118 1.0 . 25665 6 >> 119 1.0 . 25665 6 >> 12 1.0 . 25665 6 >> 120 1.0 . 25665 6 >> 121 1.0 . 25665 6 >> 122 1.0 . 25665 6 >> 123 1.0 . 25665 6 >> 124 1.0 . 25665 6 >> 125 1.0 . 25665 6 >> 126 1.0 . 25665 6 >> 127 1.0 . 25665 6 >> 128 1.0 . 25665 6 >> 129 1.0 . 25665 6 >> 13 1.0 . 25665 6 >> 130 1.0 . 25665 6 >> 131 1.0 . 25665 6 >> 132 1.0 . 25665 6 >> 133 1.0 . 25665 6 >> 134 1.0 . 25665 6 >> 135 1.0 . 25665 6 >> 136 1.0 . 25665 6 >> 137 1.0 . 25665 6 >> 138 1.0 . 25665 6 >> 139 1.0 . 25665 6 >> 14 1.0 . 25665 6 >> 140 1.0 . 25665 6 >> 141 1.0 . 25665 6 >> 142 1.0 . 25665 6 >> 143 1.0 . 25665 6 >> 144 1.0 . 25665 6 >> 145 1.0 . 25665 6 >> 146 1.0 . 25665 6 >> 147 1.0 . 25665 6 >> 148 1.0 . 25665 6 >> 149 1.0 . 25665 6 >> 15 1.0 . 25665 6 >> 150 1.0 . 25665 6 >> 151 1.0 . 25665 6 >> 152 1.0 . 25665 6 >> 153 1.0 . 25665 6 >> 154 1.0 . 25665 6 >> 155 1.0 . 25665 6 >> 156 1.0 . 25665 6 >> 157 1.0 . 25665 6 >> 16 1.0 . 25665 6 >> 17 1.0 . 25665 6 >> 18 1.0 . 25665 6 >> 19 1.0 . 25665 6 >> 2 1.0 . 25665 6 >> 20 1.0 . 25665 6 >> 21 1.0 . 25665 6 >> 22 1.0 . 25665 6 >> 23 1.0 . 25665 6 >> 24 1.0 . 25665 6 >> 25 1.0 . 25665 6 >> 26 1.0 . 25665 6 >> 27 1.0 . 25665 6 >> 28 1.0 . 25665 6 >> 29 1.0 . 25665 6 >> 3 1.0 . 25665 6 >> 30 1.0 . 25665 6 >> 31 1.0 . 25665 6 >> 32 1.0 . 25665 6 >> 33 1.0 . 25665 6 >> 34 1.0 . 25665 6 >> 35 1.0 . 25665 6 >> 36 1.0 . 25665 6 >> 37 1.0 . 25665 6 >> 38 1.0 . 25665 6 >> 39 1.0 . 25665 6 >> 4 1.0 . 25665 6 >> 40 1.0 . 25665 6 >> 41 1.0 . 25665 6 >> 42 1.0 . 25665 6 >> 43 1.0 . 25665 6 >> 44 1.0 . 25665 6 >> 45 1.0 . 25665 6 >> 46 1.0 . 25665 6 >> 47 1.0 . 25665 6 >> 48 1.0 . 25665 6 >> 49 1.0 . 25665 6 >> 5 1.0 . 25665 6 >> 50 1.0 . 25665 6 >> 51 1.0 . 25665 6 >> 52 1.0 . 25665 6 >> 53 1.0 . 25665 6 >> 54 1.0 . 25665 6 >> 55 1.0 . 25665 6 >> 56 1.0 . 25665 6 >> 57 1.0 . 25665 6 >> 58 1.0 . 25665 6 >> 59 1.0 . 25665 6 >> 6 1.0 . 25665 6 >> 60 1.0 . 25665 6 >> 61 1.0 . 25665 6 >> 62 1.0 . 25665 6 >> 63 1.0 . 25665 6 >> 64 1.0 . 25665 6 >> 65 1.0 . 25665 6 >> 66 1.0 . 25665 6 >> 67 1.0 . 25665 6 >> 68 1.0 . 25665 6 >> 69 1.0 . 25665 6 >> 7 1.0 . 25665 6 >> 70 1.0 . 25665 6 >> 71 1.0 . 25665 6 >> 72 1.0 . 25665 6 >> 73 1.0 . 25665 6 >> 74 1.0 . 25665 6 >> 75 1.0 . 25665 6 >> 76 1.0 . 25665 6 >> 77 1.0 . 25665 6 >> 78 1.0 . 25665 6 >> 79 1.0 . 25665 6 >> 8 1.0 . 25665 6 >> 80 1.0 . 25665 6 >> 81 1.0 . 25665 6 >> 82 1.0 . 25665 6 >> 83 1.0 . 25665 6 >> 84 1.0 . 25665 6 >> 85 1.0 . 25665 6 >> 86 1.0 . 25665 6 >> 87 1.0 . 25665 6 >> 88 1.0 . 25665 6 >> 89 1.0 . 25665 6 >> 9 1.0 . 25665 6 >> 90 1.0 . 25665 6 >> 91 1.0 . 25665 6 >> 92 1.0 . 25665 6 >> 93 1.0 . 25665 6 >> 94 1.0 . 25665 6 >> 95 1.0 . 25665 6 >> 96 1.0 . 25665 6 >> 97 1.0 . 25665 6 >> 98 1.0 . 25665 6 >> 99 1.0 . 25665 6 >> >> 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 1181721.37500 . height 25665 6 >> 1 24988897.25000 . volume 25665 6 >> 2 545349.18750 . height 25665 6 >> 2 10884734.35940 . volume 25665 6 >> 3 1786352.00000 . height 25665 6 >> 3 36602579.12500 . volume 25665 6 >> 4 1161257.87500 . height 25665 6 >> 4 23850586.37500 . volume 25665 6 >> 5 1018457.00000 . height 25665 6 >> 5 20037612.84380 . volume 25665 6 >> 6 433500.31250 . height 25665 6 >> 6 9100118.35938 . volume 25665 6 >> 7 2743504.75000 . height 25665 6 >> 7 55875209.50000 . volume 25665 6 >> 8 2313491.50000 . height 25665 6 >> 8 46158566.12500 . volume 25665 6 >> 9 1226810.50000 . height 25665 6 >> 9 25108249.75000 . volume 25665 6 >> 10 283738.53125 . height 25665 6 >> 10 5860150.39844 . volume 25665 6 >> 11 490381.09375 . height 25665 6 >> 11 10188839.45310 . volume 25665 6 >> 12 1212730.50000 . height 25665 6 >> 12 24613087.25000 . volume 25665 6 >> 13 531510.75000 . height 25665 6 >> 13 10625566.34380 . volume 25665 6 >> 14 464332.25000 . height 25665 6 >> 14 10599667.09380 . volume 25665 6 >> 15 2731906.50000 . height 25665 6 >> 15 55896684.75000 . volume 25665 6 >> 16 1453120.00000 . height 25665 6 >> 16 29736280.18750 . volume 25665 6 >> 17 1730079.25000 . height 25665 6 >> 17 35923358.62500 . volume 25665 6 >> 18 2675456.00000 . height 25665 6 >> 18 54506044.00000 . volume 25665 6 >> 19 2463874.50000 . height 25665 6 >> 19 50095949.37500 . volume 25665 6 >> 20 1138246.87500 . height 25665 6 >> 20 22932435.75000 . volume 25665 6 >> 21 2763811.50000 . height 25665 6 >> 21 56575224.37500 . volume 25665 6 >> 22 1093594.25000 . height 25665 6 >> 22 22272900.96880 . volume 25665 6 >> 23 700270.75000 . height 25665 6 >> 23 14227604.50000 . volume 25665 6 >> 24 2493313.50000 . height 25665 6 >> 24 50081058.50000 . volume 25665 6 >> 25 2848898.00000 . height 25665 6 >> 25 58401124.00000 . volume 25665 6 >> 26 2492522.75000 . height 25665 6 >> 26 51165512.25000 . volume 25665 6 >> 27 1531191.00000 . height 25665 6 >> 27 31127617.68750 . volume 25665 6 >> 28 1531542.25000 . height 25665 6 >> 28 31300134.68750 . volume 25665 6 >> 29 1148814.50000 . height 25665 6 >> 29 23835871.43750 . volume 25665 6 >> 30 613293.81250 . height 25665 6 >> 30 13075687.43750 . volume 25665 6 >> 31 1310681.25000 . height 25665 6 >> 31 26567720.37500 . volume 25665 6 >> 32 1648607.25000 . height 25665 6 >> 32 33514070.12500 . volume 25665 6 >> 33 1008080.00000 . height 25665 6 >> 33 20238718.43750 . volume 25665 6 >> 34 2940263.50000 . height 25665 6 >> 34 60014403.62500 . volume 25665 6 >> 35 746504.81250 . height 25665 6 >> 35 15381224.12500 . volume 25665 6 >> 36 1253656.50000 . height 25665 6 >> 36 25822371.81250 . volume 25665 6 >> 37 661968.87500 . height 25665 6 >> 37 13460346.00000 . volume 25665 6 >> 38 1692819.50000 . height 25665 6 >> 38 34754431.06250 . volume 25665 6 >> 39 1904393.87500 . height 25665 6 >> 39 42313552.56250 . volume 25665 6 >> 40 464726.34375 . height 25665 6 >> 40 10421238.28120 . volume 25665 6 >> 41 2341500.25000 . height 25665 6 >> 41 46749781.37500 . volume 25665 6 >> 42 1045988.81250 . height 25665 6 >> 42 21943192.12500 . volume 25665 6 >> 43 3050126.50000 . height 25665 6 >> 43 62552436.75000 . volume 25665 6 >> 44 373133.96875 . height 25665 6 >> 44 7541685.57812 . volume 25665 6 >> 45 2480318.00000 . height 25665 6 >> 45 50148115.37500 . volume 25665 6 >> 46 859367.37500 . height 25665 6 >> 46 18095343.50000 . volume 25665 6 >> 47 1354150.25000 . height 25665 6 >> 47 27518440.43750 . volume 25665 6 >> 48 976778.50000 . height 25665 6 >> 48 20237190.12500 . volume 25665 6 >> 49 1044008.37500 . height 25665 6 >> 49 22053033.56250 . volume 25665 6 >> 50 817519.93750 . height 25665 6 >> 50 16669269.65620 . volume 25665 6 >> 51 1673676.00000 . height 25665 6 >> 51 34079500.68750 . volume 25665 6 >> 52 1047147.25000 . height 25665 6 >> 52 22247764.37500 . volume 25665 6 >> 53 1671750.37500 . height 25665 6 >> 53 34054556.93750 . volume 25665 6 >> 54 1510984.00000 . height 25665 6 >> 54 30714961.75000 . volume 25665 6 >> 55 2046388.75000 . height 25665 6 >> 55 42568725.93750 . volume 25665 6 >> 56 669988.87500 . height 25665 6 >> 56 13552111.59380 . volume 25665 6 >> 57 905749.50000 . height 25665 6 >> 57 18851882.75000 . volume 25665 6 >> 58 861701.37500 . height 25665 6 >> 58 17284372.59380 . volume 25665 6 >> 59 2042216.75000 . height 25665 6 >> 59 41628534.12500 . volume 25665 6 >> 60 309395.46875 . height 25665 6 >> 60 6368776.76562 . volume 25665 6 >> 61 1519572.00000 . height 25665 6 >> 61 30667212.62500 . volume 25665 6 >> 62 2582822.00000 . height 25665 6 >> 62 52427344.37500 . volume 25665 6 >> 63 992382.75000 . height 25665 6 >> 63 20284675.03120 . volume 25665 6 >> 64 775556.06250 . height 25665 6 >> 64 15560238.62500 . volume 25665 6 >> 65 4215574.00000 . height 25665 6 >> 65 85628162.50000 . volume 25665 6 >> 66 3225024.00000 . height 25665 6 >> 66 64173558.12500 . volume 25665 6 >> 67 1738931.12500 . height 25665 6 >> 67 35517890.31250 . volume 25665 6 >> 68 1361779.37500 . height 25665 6 >> 68 27714240.18750 . volume 25665 6 >> 69 3244580.75000 . height 25665 6 >> 69 65594010.62500 . volume 25665 6 >> 70 876956.06250 . height 25665 6 >> 70 17697564.21880 . volume 25665 6 >> 71 446369.90625 . height 25665 6 >> 71 9472974.25000 . volume 25665 6 >> 72 1242883.12500 . height 25665 6 >> 72 25861405.87500 . volume 25665 6 >> 73 780881.87500 . height 25665 6 >> 73 15729360.59380 . volume 25665 6 >> 74 351664.93750 . height 25665 6 >> 74 6743901.87500 . volume 25665 6 >> 75 623137.12500 . height 25665 6 >> 75 12932074.35940 . volume 25665 6 >> 76 676324.68750 . height 25665 6 >> 76 13338282.53120 . volume 25665 6 >> 77 970916.93750 . height 25665 6 >> 77 20485225.75000 . volume 25665 6 >> 78 591142.62500 . height 25665 6 >> 78 13712566.76560 . volume 25665 6 >> 79 2627985.00000 . height 25665 6 >> 79 53848537.12500 . volume 25665 6 >> 80 794432.87500 . height 25665 6 >> 80 16029483.31250 . volume 25665 6 >> 81 778548.68750 . height 25665 6 >> 81 17137746.00000 . volume 25665 6 >> 82 2089470.50000 . height 25665 6 >> 82 42301232.62500 . volume 25665 6 >> 83 3888288.50000 . height 25665 6 >> 83 80742341.00000 . volume 25665 6 >> 84 564285.50000 . height 25665 6 >> 84 12414796.12500 . volume 25665 6 >> 85 1641291.37500 . height 25665 6 >> 85 33882248.31250 . volume 25665 6 >> 86 1289382.50000 . height 25665 6 >> 86 26626056.37500 . volume 25665 6 >> 87 1199156.62500 . height 25665 6 >> 87 24309743.31250 . volume 25665 6 >> 88 698347.75000 . height 25665 6 >> 88 14137582.09380 . volume 25665 6 >> 89 738505.37500 . height 25665 6 >> 89 15439756.56250 . volume 25665 6 >> 90 1572691.25000 . height 25665 6 >> 90 32203998.62500 . volume 25665 6 >> 91 968251.68750 . height 25665 6 >> 91 18943061.31250 . volume 25665 6 >> 92 2566999.50000 . height 25665 6 >> 92 52015597.50000 . volume 25665 6 >> 93 543752.12500 . height 25665 6 >> 93 11858720.28120 . volume 25665 6 >> 94 740741.25000 . height 25665 6 >> 94 15638473.00000 . volume 25665 6 >> 95 1092775.87500 . height 25665 6 >> 95 22145386.06250 . volume 25665 6 >> 96 867148.50000 . height 25665 6 >> 96 17799692.12500 . volume 25665 6 >> 97 1032877.56250 . height 25665 6 >> 97 21850801.18750 . volume 25665 6 >> 98 827574.50000 . height 25665 6 >> 98 17530075.28120 . volume 25665 6 >> 99 794142.81250 . height 25665 6 >> 99 16187870.65620 . volume 25665 6 >> 100 1494578.12500 . height 25665 6 >> 100 30201907.75000 . volume 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6 >> 114 1082662.25000 . height 25665 6 >> 114 22310446.06250 . volume 25665 6 >> 115 620320.87500 . height 25665 6 >> 115 12741159.81250 . volume 25665 6 >> 116 3421651.00000 . height 25665 6 >> 116 69348846.37500 . volume 25665 6 >> 117 488846.65625 . height 25665 6 >> 117 9969243.65625 . volume 25665 6 >> 118 1867028.62500 . height 25665 6 >> 118 37665772.31250 . volume 25665 6 >> 119 1222034.87500 . height 25665 6 >> 119 25023860.50000 . volume 25665 6 >> 120 1733315.25000 . height 25665 6 >> 120 35335711.12500 . volume 25665 6 >> 121 3014265.25000 . height 25665 6 >> 121 62101373.37500 . volume 25665 6 >> 122 1923996.00000 . height 25665 6 >> 122 38429391.81250 . volume 25665 6 >> 123 812675.00000 . height 25665 6 >> 123 16481818.56250 . volume 25665 6 >> 124 696896.00000 . height 25665 6 >> 124 14944726.87500 . volume 25665 6 >> 125 602763.25000 . height 25665 6 >> 125 12037891.18750 . volume 25665 6 >> 126 547678.25000 . height 25665 6 >> 126 11192412.18750 . volume 25665 6 >> 127 1007914.06250 . height 25665 6 >> 127 21121804.43750 . volume 25665 6 >> 128 1109325.50000 . height 25665 6 >> 128 22661667.87500 . volume 25665 6 >> 129 1304702.12500 . height 25665 6 >> 129 27269182.00000 . volume 25665 6 >> 130 1051580.25000 . height 25665 6 >> 130 21280700.87500 . volume 25665 6 >> 131 573691.43750 . height 25665 6 >> 131 12714823.00000 . volume 25665 6 >> 132 2078946.25000 . height 25665 6 >> 132 43232887.00000 . volume 25665 6 >> 133 1757254.00000 . height 25665 6 >> 133 36808146.87500 . volume 25665 6 >> 134 702932.62500 . height 25665 6 >> 134 15307013.90620 . volume 25665 6 >> 135 442023.62500 . height 25665 6 >> 135 9549067.45312 . volume 25665 6 >> 136 254785.31250 . height 25665 6 >> 136 5129102.09375 . volume 25665 6 >> 137 305703.87500 . height 25665 6 >> 137 5852078.28125 . volume 25665 6 >> 138 483096.50000 . height 25665 6 >> 138 12020067.12110 . volume 25665 6 >> 139 287715.65625 . height 25665 6 >> 139 5468915.79688 . volume 25665 6 >> 140 500297.37500 . height 25665 6 >> 140 10739966.42190 . volume 25665 6 >> 141 277684.71875 . height 25665 6 >> 141 5364924.08594 . volume 25665 6 >> 142 475627.31250 . height 25665 6 >> 142 9937224.06250 . volume 25665 6 >> 143 877832.62500 . height 25665 6 >> 143 18341160.12500 . volume 25665 6 >> 144 1951957.25000 . height 25665 6 >> 144 41541851.56250 . volume 25665 6 >> 145 1290150.12500 . height 25665 6 >> 145 26230303.56250 . volume 25665 6 >> 146 440440.87500 . height 25665 6 >> 146 10298948.31250 . volume 25665 6 >> 147 659344.00000 . height 25665 6 >> 147 13755855.87500 . volume 25665 6 >> 148 2947506.50000 . height 25665 6 >> 148 60025878.00000 . volume 25665 6 >> 149 3920855.00000 . height 25665 6 >> 149 80797228.00000 . volume 25665 6 >> 150 2391999.25000 . height 25665 6 >> 150 49254250.00000 . volume 25665 6 >> 151 1808289.87500 . height 25665 6 >> 151 37192522.00000 . volume 25665 6 >> 152 408135.90625 . height 25665 6 >> 152 8374253.71875 . volume 25665 6 >> 153 1477324.87500 . height 25665 6 >> 153 30069036.81250 . volume 25665 6 >> 154 2034078.87500 . height 25665 6 >> 154 41407161.43750 . volume 25665 6 >> 155 2552186.50000 . height 25665 6 >> 155 53338861.62500 . volume 25665 6 >> 156 984592.12500 . height 25665 6 >> 156 20480020.93750 . volume 25665 6 >> 157 675183.37500 . height 25665 6 >> 157 14830423.40620 . volume 25665 6 >> >> 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 7.802 . 26.7017360595 . . . . . . . . . . . 25665 6 >> 1 2 118.290 . 121.2582011370 . . . . . . . . . . . 25665 6 >> 1 3 176.389 . 73.5624030858 . . . . . . . . . . . 25665 6 >> 2 1 9.018 . 26.5965682431 . . . . . . . . . . . 25665 6 >> 2 2 121.994 . 105.1758401850 . . . . . . . . . . . 25665 6 >> 2 3 176.632 . 71.1207784797 . . . . . . . . . . . 25665 6 >> 3 1 7.628 . 24.8127272153 . . . . . . . . . . . 25665 6 >> 3 2 121.036 . 119.0046077080 . . . . . . . . . . . 25665 6 >> 3 3 178.746 . 62.8320811666 . . . . . . . . . . . 25665 6 >> 4 1 8.442 . 26.3279174859 . . . . . . . . . . . 25665 6 >> 4 2 118.570 . 114.4199539610 . . . . . . . . . . . 25665 6 >> 4 3 177.453 . 66.2302715605 . . . . . . . . . . . 25665 6 >> 5 1 7.740 . 23.7510194229 . . . . . . . . . . . 25665 6 >> 5 2 122.365 . 110.7613141420 . . . . . . . . . . . 25665 6 >> 5 3 177.689 . 58.8049774684 . . . . . . . . . . . 25665 6 >> 6 1 7.682 . 28.9998104567 . . . . . . . . . . . 25665 6 >> 6 2 125.591 . 115.6086251870 . . . . . . . . . . . 25665 6 >> 6 3 177.120 . 80.3814807028 . . . . . . . . . . . 25665 6 >> 7 1 7.974 . 24.7657312429 . . . . . . . . . . . 25665 6 >> 7 2 122.210 . 116.4617509410 . . . . . . . . . . . 25665 6 >> 7 3 179.255 . 63.4342069342 . . . . . . . . . . . 25665 6 >> 8 1 8.299 . 25.3129191051 . . . . . . . . . . . 25665 6 >> 8 2 115.564 . 113.2528769400 . . . . . . . . . . . 25665 6 >> 8 3 177.271 . 60.6695483857 . . . . . . . . . . . 25665 6 >> 9 1 7.241 . 23.8395667124 . . . . . . . . . . . 25665 6 >> 9 2 119.839 . 117.6735632330 . . . . . . . . . . . 25665 6 >> 9 3 178.416 . 62.1780957833 . . . . . . . . . . . 25665 6 >> 10 1 7.688 . 49.0520462545 . . . . . . . . . . . 25665 6 >> 10 2 110.291 . 110.6187552700 . . . . . . . . . . . 25665 6 >> 10 3 174.095 . 141.5086605070 . . . . . . . . . . . 25665 6 >> 11 1 7.556 . 36.7534295105 . . . . . . . . . . . 25665 6 >> 11 2 112.521 . 116.7454455720 . . . . . . . . . . . 25665 6 >> 11 3 174.858 . 69.7457728917 . . . . . . . . . . . 25665 6 >> 12 1 7.566 . 36.0149623091 . . . . . . . . . . . 25665 6 >> 12 2 105.195 . 112.5722573220 . . . . . . . . . . . 25665 6 >> 12 3 174.431 . 62.3927919533 . . . . . . . . . . . 25665 6 >> 13 1 7.728 . 23.2925221306 . . . . . . . . . . . 25665 6 >> 13 2 114.756 . 143.9295168610 . . . . . . . . . . . 25665 6 >> 13 3 175.912 . 51.6789648229 . . . . . . . . . . . 25665 6 >> 14 1 8.614 . 25.4381461781 . . . . . . . . . . . 25665 6 >> 14 2 124.300 . 154.0776791130 . . . . . . . . . . . 25665 6 >> 14 3 177.127 . 66.2446550162 . . . . . . . . . . . 25665 6 >> 15 1 9.957 . 24.2373131135 . . . . . . . . . . . 25665 6 >> 15 2 118.426 . 108.5471966510 . . . . . . . . . . . 25665 6 >> 15 3 178.961 . 69.0016599828 . . . . . . . . . . . 25665 6 >> 16 1 8.157 . 26.9716763404 . . . . . . . . . . . 25665 6 >> 16 2 121.488 . 111.9060544650 . . . . . . . . . . . 25665 6 >> 16 3 177.453 . 66.4887778893 . . . . . . . . . . . 25665 6 >> 17 1 8.690 . 24.1592252934 . . . . . . . . . . . 25665 6 >> 17 2 121.041 . 117.8002822310 . . . . . . . . . . . 25665 6 >> 17 3 178.547 . 69.8406509164 . . . . . . . . . . . 25665 6 >> 18 1 8.675 . 26.0920779412 . . . . . . . . . . . 25665 6 >> 18 2 121.037 . 111.6204417240 . . . . . . . . . . . 25665 6 >> 18 3 177.748 . 65.7975802626 . . . . . . . . . . . 25665 6 >> 19 1 8.480 . 27.7425249130 . . . . . . . . . . . 25665 6 >> 19 2 120.476 . 111.8254319780 . . . . . . . . . . . 25665 6 >> 19 3 174.803 . 63.3389330346 . . . . . . . . . . . 25665 6 >> 20 1 9.325 . 30.3250109118 . . . . . . . . . . . 25665 6 >> 20 2 115.441 . 108.3560044130 . . . . . . . . . . . 25665 6 >> 20 3 175.114 . 66.3328031672 . . . . . . . . . . . 25665 6 >> 21 1 8.588 . 23.6846805959 . . . . . . . . . . . 25665 6 >> 21 2 120.802 . 112.0503458240 . . . . . . . . . . . 25665 6 >> 21 3 177.955 . 70.5738112856 . . . . . . . . . . . 25665 6 >> 22 1 8.885 . 27.1414636189 . . . . . . . . . . . 25665 6 >> 22 2 119.846 . 114.2349491740 . . . . . . . . . . . 25665 6 >> 22 3 178.541 . 64.4498900447 . . . . . . . . . . . 25665 6 >> 23 1 8.517 . 33.1270024893 . . . . . . . . . . . 25665 6 >> 23 2 117.842 . 116.6367939310 . . . . . . . . . . . 25665 6 >> 23 3 172.911 . 63.9058259334 . . . . . . . . . . . 25665 6 >> 24 1 8.522 . 24.7329200304 . . . . . . . . . . . 25665 6 >> 24 2 117.936 . 107.5854192560 . . . . . . . . . . . 25665 6 >> 24 3 178.772 . 63.2650363811 . . . . . . . . . . . 25665 6 >> 25 1 7.911 . 23.0773149640 . . . . . . . . . . . 25665 6 >> 25 2 120.608 . 116.9160954730 . . . . . . . . . . . 25665 6 >> 25 3 180.192 . 65.5268018109 . . . . . . . . . . . 25665 6 >> 26 1 7.658 . 26.2005412069 . . . . . . . . . . . 25665 6 >> 26 2 124.655 . 115.2658403970 . . . . . . . . . . . 25665 6 >> 26 3 174.897 . 65.0034551543 . . . . . . . . . . . 25665 6 >> 27 1 7.662 . 22.9985107419 . . . . . . . . . . . 25665 6 >> 27 2 124.478 . 112.8224159690 . . . . . . . . . . . 25665 6 >> 27 3 176.722 . 64.9205853358 . . . . . . . . . . . 25665 6 >> 28 1 8.845 . 31.6171135937 . . . . . . . . . . . 25665 6 >> 28 2 118.821 . 113.3322000630 . . . . . . . . . . . 25665 6 >> 28 3 178.077 . 64.4359024639 . . . . . . . . . . . 25665 6 >> 29 1 8.808 . 31.4874448282 . . . . . . . . . . . 25665 6 >> 29 2 115.798 . 115.9269695440 . . . . . . . . . . . 25665 6 >> 29 3 172.947 . 64.6273739714 . . . . . . . . . . . 25665 6 >> 30 1 8.700 . 32.8110691989 . . . . . . . . . . . 25665 6 >> 30 2 111.914 . 122.7954114820 . . . . . . . . . . . 25665 6 >> 30 3 173.767 . 78.9791597446 . . . . . . . . . . . 25665 6 >> 31 1 8.550 . 28.5040602594 . . . . . . . . . . . 25665 6 >> 31 2 117.246 . 111.2266104630 . . . . . . . . . . . 25665 6 >> 31 3 177.050 . 66.8570735320 . . . . . . . . . . . 25665 6 >> 32 1 9.044 . 29.0607046284 . . . . . . . . . . . 25665 6 >> 32 2 109.470 . 115.5776260570 . . . . . . . . . . . 25665 6 >> 32 3 174.965 . 62.3027963861 . . . . . . . . . . . 25665 6 >> 33 1 7.093 . 39.3488107457 . . . . . . . . . . . 25665 6 >> 33 2 126.595 . 114.1305668750 . . . . . . . . . . . 25665 6 >> 33 3 172.832 . 58.9518470672 . . . . . . . . . . . 25665 6 >> 34 1 7.742 . 22.4756805483 . . . . . . . . . . . 25665 6 >> 34 2 118.999 . 116.3036615660 . . . . . . . . . . . 25665 6 >> 34 3 179.053 . 65.1371289221 . . . . . . . . . . . 25665 6 >> 35 1 7.821 . 27.2820216951 . . . . . . . . . . . 25665 6 >> 35 2 121.158 . 110.6995015060 . . . . . . . . . . . 25665 6 >> 35 3 179.390 . 71.4378742982 . . . . . . . . . . . 25665 6 >> 36 1 8.168 . 26.8629265139 . . . . . . . . . . . 25665 6 >> 36 2 119.895 . 120.6064150410 . . . . . . . . . . . 25665 6 >> 36 3 178.534 . 63.9972730421 . . . . . . . . . . . 25665 6 >> 37 1 7.501 . 38.7212425768 . . . . . . . . . . . 25665 6 >> 37 2 124.456 . 107.8092193620 . . . . . . . . . . . 25665 6 >> 37 3 179.073 . 67.9661831258 . . . . . . . . . . . 25665 6 >> 38 1 8.000 . 30.7537058801 . . . . . . . . . . . 25665 6 >> 38 2 124.021 . 116.2539144590 . . . . . . . . . . . 25665 6 >> 38 3 173.964 . 64.8791504265 . . . . . . . . . . . 25665 6 >> 39 1 7.976 . 39.2718691688 . . . . . . . . . . . 25665 6 >> 39 2 120.534 . 146.4837585380 . . . . . . . . . . . 25665 6 >> 39 3 175.259 . 65.9168705747 . . . . . . . . . . . 25665 6 >> 40 1 7.796 . 31.7085264913 . . . . . . . . . . . 25665 6 >> 40 2 125.220 . 154.2844018540 . . . . . . . . . . . 25665 6 >> 40 3 178.929 . 85.2139259657 . . . . . . . . . . . 25665 6 >> 41 1 7.525 . 23.8647840635 . . . . . . . . . . . 25665 6 >> 41 2 121.613 . 110.9235491100 . . . . . . . . . . . 25665 6 >> 41 3 175.839 . 59.4947235537 . . . . . . . . . . . 25665 6 >> 42 1 8.180 . 27.5419323477 . . . . . . . . . . . 25665 6 >> 42 2 117.603 . 115.7205561770 . . . . . . . . . . . 25665 6 >> 42 3 175.304 . 73.8705257392 . . . . . . . . . . . 25665 6 >> 43 1 7.921 . 25.0651872869 . . . . . . . . . . . 25665 6 >> 43 2 118.508 . 118.6269256940 . . . . . . . . . . . 25665 6 >> 43 3 175.493 . 64.2074826296 . . . . . . . . . . . 25665 6 >> 44 1 8.347 . 25.2222226095 . . . . . . . . . . . 25665 6 >> 44 2 118.529 . 123.7156092050 . . . . . . . . . . . 25665 6 >> 44 3 175.071 . 57.6359588019 . . . . . . . . . . . 25665 6 >> 45 1 8.008 . 25.2262344608 . . . . . . . . . . . 25665 6 >> 45 2 116.700 . 112.8973460020 . . . . . . . . . . . 25665 6 >> 45 3 175.885 . 62.9069015283 . . . . . . . . . . . 25665 6 >> 46 1 8.762 . 24.0791315477 . . . . . . . . . . . 25665 6 >> 46 2 122.882 . 109.6427467380 . . . . . . . . . . . 25665 6 >> 46 3 177.093 . 84.8662158194 . . . . . . . . . . . 25665 6 >> 47 1 8.874 . 25.8714261193 . . . . . . . . . . . 25665 6 >> 47 2 121.234 . 111.2465340560 . . . . . . . . . . . 25665 6 >> 47 3 178.024 . 65.0793311824 . . . . . . . . . . . 25665 6 >> 48 1 8.734 . 27.3798822109 . . . . . . . . . . . 25665 6 >> 48 2 121.327 . 121.0774038170 . . . . . . . . . . . 25665 6 >> 48 3 172.018 . 70.5670814118 . . . . . . . . . . . 25665 6 >> 49 1 8.928 . 30.7436762519 . . . . . . . . . . . 25665 6 >> 49 2 123.971 . 118.2524611550 . . . . . . . . . . . 25665 6 >> 49 3 175.278 . 73.3070637564 . . . . . . . . . . . 25665 6 >> 50 1 9.199 . 46.0481725880 . . . . . . . . . . . 25665 6 >> 50 2 116.251 . 119.0448261400 . . . . . . . . . . . 25665 6 >> 50 3 175.130 . 56.2269079699 . . . . . . . . . . . 25665 6 >> 51 1 8.976 . 29.1267568945 . . . . . . . . . . . 25665 6 >> 51 2 118.088 . 111.6889368070 . . . . . . . . . . . 25665 6 >> 51 3 178.032 . 67.1864414732 . . . . . . . . . . . 25665 6 >> 52 1 8.508 . 29.6974427430 . . . . . . . . . . . 25665 6 >> 52 2 119.434 . 158.9705916720 . . . . . . . . . . . 25665 6 >> 52 3 178.034 . 70.9572821339 . . . . . . . . . . . 25665 6 >> 53 1 8.624 . 29.6020179941 . . . . . . . . . . . 25665 6 >> 53 2 120.171 . 113.8611652550 . . . . . . . . . . . 25665 6 >> 53 3 177.162 . 64.5637700661 . . . . . . . . . . . 25665 6 >> 54 1 7.721 . 24.8065661580 . . . . . . . . . . . 25665 6 >> 54 2 117.419 . 120.4107678380 . . . . . . . . . . . 25665 6 >> 54 3 176.603 . 61.7704765644 . . . . . . . . . . . 25665 6 >> 55 1 7.691 . 26.2607189765 . . . . . . . . . . . 25665 6 >> 55 2 115.043 . 122.1139256200 . . . . . . . . . . . 25665 6 >> 55 3 177.157 . 64.9502759555 . . . . . . . . . . . 25665 6 >> 56 1 7.665 . 34.8475135786 . . . . . . . . . . . 25665 6 >> 56 2 113.824 . 106.7362534710 . . . . . . . . . . . 25665 6 >> 56 3 173.595 . 62.9868682640 . . . . . . . . . . . 25665 6 >> 57 1 8.711 . 23.4664645408 . . . . . . . . . . . 25665 6 >> 57 2 129.996 . 120.6707335950 . . . . . . . . . . . 25665 6 >> 57 3 178.654 . 69.3601907105 . . . . . . . . . . . 25665 6 >> 58 1 7.678 . 30.1421851165 . . . . . . . . . . . 25665 6 >> 58 2 123.404 . 115.4224447840 . . . . . . . . . . . 25665 6 >> 58 3 177.478 . 59.2400440158 . . . . . . . . . . . 25665 6 >> 59 1 7.147 . 26.2870825708 . . . . . . . . . . . 25665 6 >> 59 2 122.020 . 109.4857092290 . . . . . . . . . . . 25665 6 >> 59 3 178.265 . 66.7356718870 . . . . . . . . . . . 25665 6 >> 60 1 6.299 . 16.2462784306 . . . . . . . . . . . 25665 6 >> 60 2 120.889 . 107.9493032540 . . . . . . . . . . . 25665 6 >> 60 3 174.946 . 259.8223491100 . . . . . . . . . . . 25665 6 >> 61 1 6.692 . 29.0449437839 . . . . . . . . . . . 25665 6 >> 61 2 119.776 . 118.8416302460 . . . . . . . . . . . 25665 6 >> 61 3 177.531 . 57.1503522219 . . . . . . . . . . . 25665 6 >> 62 1 7.012 . 26.0701560394 . . . . . . . . . . . 25665 6 >> 62 2 120.149 . 115.4825868090 . . . . . . . . . . . 25665 6 >> 62 3 176.222 . 62.2038276537 . . . . . . . . . . . 25665 6 >> 63 1 6.338 . 31.0276580123 . . . . . . . . . . . 25665 6 >> 63 2 125.794 . 106.7663863580 . . . . . . . . . . . 25665 6 >> 63 3 172.773 . 71.6755312141 . . . . . . . . . . . 25665 6 >> 64 1 7.357 . 32.4025767675 . . . . . . . . . . . 25665 6 >> 64 2 119.742 . 104.0839406950 . . . . . . . . . . . 25665 6 >> 64 3 173.404 . 64.9174183363 . . . . . . . . . . . 25665 6 >> 65 1 7.441 . 28.4039072572 . . . . . . . . . . . 25665 6 >> 65 2 120.786 . 112.6004720990 . . . . . . . . . . . 25665 6 >> 65 3 177.230 . 62.1117207535 . . . . . . . . . . . 25665 6 >> 66 1 7.387 . 24.4387653613 . . . . . . . . . . . 25665 6 >> 66 2 118.021 . 108.0734853970 . . . . . . . . . . . 25665 6 >> 66 3 175.599 . 61.5910132630 . . . . . . . . . . . 25665 6 >> 67 1 7.516 . 29.9186676865 . . . . . . . . . . . 25665 6 >> 67 2 115.420 . 115.5932184340 . . . . . . . . . . . 25665 6 >> 67 3 170.276 . 62.9678662674 . . . . . . . . . . . 25665 6 >> 68 1 7.287 . 25.9529526691 . . . . . . . . . . . 25665 6 >> 68 2 105.539 . 109.5213489480 . . . . . . . . . . . 25665 6 >> 68 3 174.649 . 68.9714415298 . . . . . . . . . . . 25665 6 >> 69 1 9.172 . 23.8613453338 . . . . . . . . . . . 25665 6 >> 69 2 117.897 . 113.8586284000 . . . . . . . . . . . 25665 6 >> 69 3 170.057 . 61.8451649677 . . . . . . . . . . . 25665 6 >> 70 1 9.166 . 38.2650377710 . . . . . . . . . . . 25665 6 >> 70 2 121.312 . 110.8201568020 . . . . . . . . . . . 25665 6 >> 70 3 170.370 . 64.9696738270 . . . . . . . . . . . 25665 6 >> 71 1 9.565 . 34.1101209803 . . . . . . . . . . . 25665 6 >> 71 2 128.715 . 124.2778010090 . . . . . . . . . . . 25665 6 >> 71 3 174.788 . 72.8172345104 . . . . . . . . . . . 25665 6 >> 72 1 8.967 . 31.1273811733 . . . . . . . . . . . 25665 6 >> 72 2 127.775 . 125.3220571270 . . . . . . . . . . . 25665 6 >> 72 3 175.384 . 64.5115145754 . . . . . . . . . . . 25665 6 >> 73 1 8.156 . 26.9458858677 . . . . . . . . . . . 25665 6 >> 73 2 131.085 . 117.1989238610 . . . . . . . . . . . 25665 6 >> 73 3 177.137 . 63.2952548340 . . . . . . . . . . . 25665 6 >> 74 1 8.323 . 28.2361259043 . . . . . . . . . . . 25665 6 >> 74 2 132.381 . 100.4176825770 . . . . . . . . . . . 25665 6 >> 74 3 173.625 . 74.8815903089 . . . . . . . . . . . 25665 6 >> 75 1 8.539 . 49.2430390328 . . . . . . . . . . . 25665 6 >> 75 2 126.605 . 121.6418849780 . . . . . . . . . . . 25665 6 >> 75 3 175.292 . 69.9693102685 . . . . . . . . . . . 25665 6 >> 76 1 8.556 . 27.8310722026 . . . . . . . . . . . 25665 6 >> 76 2 122.669 . 109.4873179670 . . . . . . . . . . . 25665 6 >> 76 3 177.457 . 59.3052314208 . . . . . . . . . . . 25665 6 >> 77 1 8.122 . 38.8446070045 . . . . . . . . . . . 25665 6 >> 77 2 123.426 . 124.4370660000 . . . . . . . . . . . 25665 6 >> 77 3 175.916 . 73.2792205530 . . . . . . . . . . . 25665 6 >> 78 1 8.091 . 57.8688059047 . . . . . . . . . . . 25665 6 >> 78 2 121.993 . 141.9290520550 . . . . . . . . . . . 25665 6 >> 78 3 175.323 . 86.0542364825 . . . . . . . . . . . 25665 6 >> 79 1 8.040 . 24.7413735742 . . . . . . . . . . . 25665 6 >> 79 2 124.132 . 113.0110713520 . . . . . . . . . . . 25665 6 >> 79 3 181.109 . 67.5667453221 . . . . . . . . . . . 25665 6 >> 80 1 8.648 . 28.6934769533 . . . . . . . . . . . 25665 6 >> 80 2 115.604 . 110.0819320150 . . . . . . . . . . . 25665 6 >> 80 3 174.679 . 66.2356818512 . . . . . . . . . . . 25665 6 >> 81 1 8.014 . 37.6805970038 . . . . . . . . . . . 25665 6 >> 81 2 119.773 . 170.2753122790 . . . . . . . . . . . 25665 6 >> 81 3 175.327 . 68.8431780527 . . . . . . . . . . . 25665 6 >> 82 1 7.881 . 27.0671010893 . . . . . . . . . . . 25665 6 >> 82 2 120.201 . 115.5229908640 . . . . . . . . . . . 25665 6 >> 82 3 177.187 . 60.9235681321 . . . . . . . . . . . 25665 6 >> 83 1 7.945 . 20.8329707183 . . . . . . . . . . . 25665 6 >> 83 2 121.231 . 116.4860676230 . . . . . . . . . . . 25665 6 >> 83 3 175.084 . 71.4343114238 . . . . . . . . . . . 25665 6 >> 84 1 7.823 . 33.2317404645 . . . . . . . . . . . 25665 6 >> 84 2 117.143 . 154.7927009590 . . . . . . . . . . . 25665 6 >> 84 3 176.153 . 74.3685364004 . . . . . . . . . . . 25665 6 >> 85 1 8.483 . 26.9103523275 . . . . . . . . . . . 25665 6 >> 85 2 125.037 . 120.1609185640 . . . . . . . . . . . 25665 6 >> 85 3 176.330 . 63.8942136022 . . . . . . . . . . . 25665 6 >> 86 1 8.956 . 28.8162682594 . . . . . . . . . . . 25665 6 >> 86 2 117.776 . 119.2617581740 . . . . . . . . . . . 25665 6 >> 86 3 173.101 . 63.2180592228 . . . . . . . . . . . 25665 6 >> 87 1 8.247 . 29.9742604832 . . . . . . . . . . . 25665 6 >> 87 2 117.234 . 111.1703046580 . . . . . . . . . . . 25665 6 >> 87 3 172.620 . 64.2037877970 . . . . . . . . . . . 25665 6 >> 88 1 8.978 . 36.1596755170 . . . . . . . . . . . 25665 6 >> 88 2 123.766 . 113.3620854520 . . . . . . . . . . . 25665 6 >> 88 3 172.405 . 62.4664246902 . . . . . . . . . . . 25665 6 >> 89 1 7.886 . 37.4159580979 . . . . . . . . . . . 25665 6 >> 89 2 118.362 . 107.2697355030 . . . . . . . . . . . 25665 6 >> 89 3 170.689 . 72.3675205907 . . . . . . . . . . . 25665 6 >> 90 1 9.142 . 34.2361360954 . . . . . . . . . . . 25665 6 >> 90 2 128.844 . 109.3491212470 . . . . . . . . . . . 25665 6 >> 90 3 175.516 . 65.1464979621 . . . . . . . . . . . 25665 6 >> 91 1 8.494 . 23.1270332641 . . . . . . . . . . . 25665 6 >> 91 2 126.804 . 113.1088640160 . . . . . . . . . . . 25665 6 >> 91 3 175.931 . 54.9787143176 . . . . . . . . . . . 25665 6 >> 92 1 7.710 . 25.8072364984 . . . . . . . . . . . 25665 6 >> 92 2 117.736 . 116.4564916070 . . . . . . . . . . . 25665 6 >> 92 3 172.956 . 63.3932998582 . . . . . . . . . . . 25665 6 >> 93 1 8.047 . 30.6190223005 . . . . . . . . . . . 25665 6 >> 93 2 115.607 . 151.3383707750 . . . . . . . . . . . 25665 6 >> 93 3 175.352 . 76.8704659541 . . . . . . . . . . . 25665 6 >> 94 1 8.422 . 24.9614522745 . . . . . . . . . . . 25665 6 >> 94 2 109.447 . 127.3118795170 . . . . . . . . . . . 25665 6 >> 94 3 171.867 . 69.2403725652 . . . . . . . . . . . 25665 6 >> 95 1 7.546 . 26.8189394299 . . . . . . . . . . . 25665 6 >> 95 2 107.206 . 110.2368657900 . . . . . . . . . . . 25665 6 >> 95 3 173.371 . 67.2810555813 . . . . . . . . . . . 25665 6 >> 96 1 8.534 . 40.1719566657 . . . . . . . . . . . 25665 6 >> 96 2 122.936 . 111.9871719490 . . . . . . . . . . . 25665 6 >> 96 3 178.931 . 66.3316155424 . . . . . . . . . . . 25665 6 >> 97 1 8.048 . 36.3806138997 . . . . . . . . . . . 25665 6 >> 97 2 110.049 . 120.1663635210 . . . . . . . . . . . 25665 6 >> 97 3 174.509 . 67.5056486246 . . . . . . . . . . . 25665 6 >> 98 1 8.767 . 23.7067457781 . . . . . . . . . . . 25665 6 >> 98 2 114.123 . 137.6795725330 . . . . . . . . . . . 25665 6 >> 98 3 173.039 . 72.9241207414 . . . . . . . . . . . 25665 6 >> 99 1 8.261 . 26.8122052509 . . . . . . . . . . . 25665 6 >> 99 2 109.838 . 111.8634229270 . . . . . . . . . . . 25665 6 >> 99 3 169.573 . 64.7804456108 . . . . . . . . . . . 25665 6 >> 100 1 9.074 . 32.4912673375 . . . . . . . . . . . 25665 6 >> 100 2 125.065 . 110.6331720310 . . . . . . . . . . . 25665 6 >> 100 3 175.406 . 60.7095317536 . . . . . . . . . . . 25665 6 >> 101 1 8.461 . 75.9552345618 . . . . . . . . . . . 25665 6 >> 101 2 118.709 . 150.3107589010 . . . . . . . . . . . 25665 6 >> 101 3 177.909 . 149.3209883220 . . . . . . . . . . . 25665 6 >> 102 1 8.051 . 21.0699565062 . . . . . . . . . . . 25665 6 >> 102 2 123.693 . 118.5733423680 . . . . . . . . . . . 25665 6 >> 102 3 175.365 . 92.6922672983 . . . . . . . . . . . 25665 6 >> 103 1 7.550 . 23.0767418424 . . . . . . . . . . . 25665 6 >> 103 2 123.263 . 103.9351324960 . . . . . . . . . . . 25665 6 >> 103 3 174.110 . 104.3616045500 . . . . . . . . . . . 25665 6 >> 104 1 8.469 . 32.6550368391 . . . . . . . . . . . 25665 6 >> 104 2 128.322 . 113.3529589610 . . . . . . . . . . . 25665 6 >> 104 3 172.856 . 59.8446769912 . . . . . . . . . . . 25665 6 >> 105 1 9.131 . 34.3957504653 . . . . . . . . . . . 25665 6 >> 105 2 129.479 . 130.8680551460 . . . . . . . . . . . 25665 6 >> 105 3 174.795 . 69.2538323128 . . . . . . . . . . . 25665 6 >> 106 1 7.918 . 26.2099977136 . . . . . . . . . . . 25665 6 >> 106 2 119.638 . 110.9683462550 . . . . . . . . . . . 25665 6 >> 106 3 173.256 . 60.7797335744 . . . . . . . . . . . 25665 6 >> 107 1 7.601 . 24.2100898368 . . . . . . . . . . . 25665 6 >> 107 2 119.785 . 116.2836142240 . . . . . . . . . . . 25665 6 >> 107 3 169.193 . 57.5480745676 . . . . . . . . . . . 25665 6 >> 108 1 8.219 . 30.3347539793 . . . . . . . . . . . 25665 6 >> 108 2 124.018 . 132.6519591650 . . . . . . . . . . . 25665 6 >> 108 3 176.345 . 63.5331756666 . . . . . . . . . . . 25665 6 >> 109 1 8.865 . 28.2497375426 . . . . . . . . . . . 25665 6 >> 109 2 118.637 . 115.4974366910 . . . . . . . . . . . 25665 6 >> 109 3 174.558 . 66.6619071918 . . . . . . . . . . . 25665 6 >> 110 1 7.670 . 24.1608013779 . . . . . . . . . . . 25665 6 >> 110 2 122.375 . 110.5702456530 . . . . . . . . . . . 25665 6 >> 110 3 175.505 . 65.6344797917 . . . . . . . . . . . 25665 6 >> 111 1 8.726 . 35.1280566093 . . . . . . . . . . . 25665 6 >> 111 2 114.587 . 116.5542533340 . . . . . . . . . . . 25665 6 >> 111 3 172.686 . 67.5206918719 . . . . . . . . . . . 25665 6 >> 112 1 8.595 . 33.2383313631 . . . . . . . . . . . 25665 6 >> 112 2 123.661 . 99.7410925361 . . . . . . . . . . . 25665 6 >> 112 3 177.042 . 68.4177444619 . . . . . . . . . . . 25665 6 >> 113 1 9.059 . 27.2315869929 . . . . . . . . . . . 25665 6 >> 113 2 129.967 . 114.2871867300 . . . . . . . . . . . 25665 6 >> 113 3 174.796 . 65.9693899820 . . . . . . . . . . . 25665 6 >> 114 1 7.681 . 36.3304657584 . . . . . . . . . . . 25665 6 >> 114 2 120.137 . 115.0620876340 . . . . . . . . . . . 25665 6 >> 114 3 174.698 . 64.6273739714 . . . . . . . . . . . 25665 6 >> 115 1 9.081 . 28.6320096601 . . . . . . . . . . . 25665 6 >> 115 2 116.426 . 115.3369342100 . . . . . . . . . . . 25665 6 >> 115 3 175.974 . 64.3130492775 . . . . . . . . . . . 25665 6 >> 116 1 8.317 . 25.3488824865 . . . . . . . . . . . 25665 6 >> 116 2 121.549 . 112.4559332420 . . . . . . . . . . . 25665 6 >> 116 3 176.523 . 62.3322230891 . . . . . . . . . . . 25665 6 >> 117 1 8.285 . 41.6534760414 . . . . . . . . . . . 25665 6 >> 117 2 129.709 . 122.5811709880 . . . . . . . . . . . 25665 6 >> 117 3 174.288 . 68.1295475133 . . . . . . . . . . . 25665 6 >> 118 1 7.570 . 25.9022314061 . . . . . . . . . . . 25665 6 >> 118 2 118.077 . 109.1849991070 . . . . . . . . . . . 25665 6 >> 118 3 175.786 . 66.4032689046 . . . . . . . . . . . 25665 6 >> 119 1 8.758 . 28.4107847165 . . . . . . . . . . . 25665 6 >> 119 2 128.023 . 114.6551699140 . . . . . . . . . . . 25665 6 >> 119 3 173.635 . 65.0018716546 . . . . . . . . . . . 25665 6 >> 120 1 6.889 . 26.0383477898 . . . . . . . . . . . 25665 6 >> 120 2 115.820 . 113.3736559850 . . . . . . . . . . . 25665 6 >> 120 3 176.413 . 65.0306385661 . . . . . . . . . . . 25665 6 >> 121 1 8.096 . 23.6587468428 . . . . . . . . . . . 25665 6 >> 121 2 118.182 . 119.4033270550 . . . . . . . . . . . 25665 6 >> 121 3 175.400 . 65.4705875710 . . . . . . . . . . . 25665 6 >> 122 1 8.999 . 24.9286410620 . . . . . . . . . . . 25665 6 >> 122 2 119.659 . 111.9881619410 . . . . . . . . . . . 25665 6 >> 122 3 171.418 . 61.4975867797 . . . . . . . . . . . 25665 6 >> 123 1 8.367 . 36.5486818134 . . . . . . . . . . . 25665 6 >> 123 2 116.841 . 107.5782418130 . . . . . . . . . . . 25665 6 >> 123 3 175.685 . 66.9337413100 . . . . . . . . . . . 25665 6 >> 124 1 7.972 . 47.0150287531 . . . . . . . . . . . 25665 6 >> 124 2 124.150 . 123.1850352760 . . . . . . . . . . . 25665 6 >> 124 3 173.620 . 130.1882210260 . . . . . . . . . . . 25665 6 >> 125 1 7.438 . 19.1522915812 . . . . . . . . . . . 25665 6 >> 125 2 117.923 . 103.4671755720 . . . . . . . . . . . 25665 6 >> 125 3 173.230 . 73.7839610880 . . . . . . . . . . . 25665 6 >> 126 1 9.765 . 37.3921019106 . . . . . . . . . . . 25665 6 >> 126 2 131.190 . 120.8364644720 . . . . . . . . . . . 25665 6 >> 126 3 173.156 . 67.3048080771 . . . . . . . . . . . 25665 6 >> 127 1 8.336 . 31.0024406612 . . . . . . . . . . . 25665 6 >> 127 2 123.985 . 111.3743049200 . . . . . . . . . . . 25665 6 >> 127 3 174.430 . 74.2191595937 . . . . . . . . . . . 25665 6 >> 128 1 8.993 . 31.8823256212 . . . . . . . . . . . 25665 6 >> 128 2 118.747 . 106.6945500510 . . . . . . . . . . . 25665 6 >> 128 3 173.354 . 65.3594786741 . . . . . . . . . . . 25665 6 >> 129 1 8.759 . 31.0802419205 . . . . . . . . . . . 25665 6 >> 129 2 128.826 . 108.8954882720 . . . . . . . . . . . 25665 6 >> 129 3 172.716 . 72.9270238242 . . . . . . . . . . . 25665 6 >> 130 1 7.263 . 32.1653044188 . . . . . . . . . . . 25665 6 >> 130 2 122.092 . 110.2493025660 . . . . . . . . . . . 25665 6 >> 130 3 177.108 . 63.1130204082 . . . . . . . . . . . 25665 6 >> 131 1 8.471 . 34.4550685525 . . . . . . . . . . . 25665 6 >> 131 2 120.349 . 134.5906732090 . . . . . . . . . . . 25665 6 >> 131 3 177.083 . 80.3516581247 . . . . . . . . . . . 25665 6 >> 132 1 8.064 . 28.0524404265 . . . . . . . . . . . 25665 6 >> 132 2 122.518 . 121.8246622830 . . . . . . . . . . . 25665 6 >> 132 3 173.867 . 66.4169925688 . . . . . . . . . . . 25665 6 >> 133 1 7.986 . 39.7514286804 . . . . . . . . . . . 25665 6 >> 133 2 121.681 . 116.7786721850 . . . . . . . . . . . 25665 6 >> 133 3 174.300 . 71.0474096595 . . . . . . . . . . . 25665 6 >> 134 1 8.421 . 31.0048764281 . . . . . . . . . . . 25665 6 >> 134 2 125.086 . 134.9388410810 . . . . . . . . . . . 25665 6 >> 134 3 175.684 . 91.3341523740 . . . . . . . . . . . 25665 6 >> 135 1 8.404 . 39.2698632431 . . . . . . . . . . . 25665 6 >> 135 2 125.348 . 138.6871989400 . . . . . . . . . . . 25665 6 >> 135 3 175.639 . 65.9952538107 . . . . . . . . . . . 25665 6 >> 136 1 8.420 . 28.9251613663 . . . . . . . . . . . 25665 6 >> 136 2 117.987 . 108.7890022390 . . . . . . . . . . . 25665 6 >> 136 3 176.050 . 69.5995630844 . . . . . . . . . . . 25665 6 >> 137 1 8.593 . 16.5431554273 . . . . . . . . . . . 25665 6 >> 137 2 118.365 . 191.6123660540 . . . . . . . . . . . 25665 6 >> 137 3 177.998 . 68.4763339515 . . . . . . . . . . . 25665 6 >> 138 1 9.009 . 37.2458842585 . . . . . . . . . . . 25665 6 >> 138 2 120.361 . 166.1133851900 . . . . . . . . . . . 25665 6 >> 138 3 173.805 . 53.2227450892 . . . . . . . . . . . 25665 6 >> 139 1 9.355 . 21.0332767228 . . . . . . . . . . . 25665 6 >> 139 2 131.584 . 104.0546740510 . . . . . . . . . . . 25665 6 >> 139 3 173.300 . 59.7720999208 . . . . . . . . . . . 25665 6 >> 140 1 7.605 . 107.0476553170 . . . . . . . . . . . 25665 6 >> 140 2 120.668 . 137.0280958100 . . . . . . . . . . . 25665 6 >> 140 3 174.742 . 64.8638432625 . . . . . . . . . . . 25665 6 >> 141 1 8.853 . 21.8208891027 . . . . . . . . . . . 25665 6 >> 141 2 127.211 . 117.4147421550 . . . . . . . . . . . 25665 6 >> 141 3 174.983 . 50.0702610682 . . . . . . . . . . . 25665 6 >> 142 1 8.585 . 38.5089010183 . . . . . . . . . . . 25665 6 >> 142 2 120.908 . 115.4865467770 . . . . . . . . . . . 25665 6 >> 142 3 174.467 . 70.4411931843 . . . . . . . . . . . 25665 6 >> 143 1 8.527 . 25.7338769316 . . . . . . . . . . . 25665 6 >> 143 2 126.038 . 110.2574081270 . . . . . . . . . . . 25665 6 >> 143 3 172.226 . 75.1146286840 . . . . . . . . . . . 25665 6 >> 144 1 7.957 . 28.8548106880 . . . . . . . . . . . 25665 6 >> 144 2 121.083 . 135.7668457830 . . . . . . . . . . . 25665 6 >> 144 3 178.799 . 64.4816919974 . . . . . . . . . . . 25665 6 >> 145 1 7.383 . 26.7109060054 . . . . . . . . . . . 25665 6 >> 145 2 117.368 . 118.7756720180 . . . . . . . . . . . 25665 6 >> 145 3 172.971 . 62.8514790382 . . . . . . . . . . . 25665 6 >> 146 1 8.422 . 21.3472040877 . . . . . . . . . . . 25665 6 >> 146 2 124.528 . 175.2770002270 . . . . . . . . . . . 25665 6 >> 146 3 175.686 . 77.1111579111 . . . . . . . . . . . 25665 6 >> 147 1 6.986 . 27.5912208066 . . . . . . . . . . . 25665 6 >> 147 2 113.087 . 121.4706782070 . . . . . . . . . . . 25665 6 >> 147 3 174.370 . 71.1524484741 . . . . . . . . . . . 25665 6 >> 148 1 7.804 . 26.9050509526 . . . . . . . . . . . 25665 6 >> 148 2 119.625 . 110.8793707090 . . . . . . . . . . . 25665 6 >> 148 3 175.596 . 64.0979572325 . . . . . . . . . . . 25665 6 >> 149 1 7.440 . 28.9400625283 . . . . . . . . . . . 25665 6 >> 149 2 120.998 . 113.8455728780 . . . . . . . . . . . 25665 6 >> 149 3 177.268 . 65.0887002224 . . . . . . . . . . . 25665 6 >> 150 1 7.845 . 29.0052551121 . . . . . . . . . . . 25665 6 >> 150 2 119.040 . 113.5095324110 . . . . . . . . . . . 25665 6 >> 150 3 174.810 . 63.1557749006 . . . . . . . . . . . 25665 6 >> 151 1 9.103 . 34.7450680899 . . . . . . . . . . . 25665 6 >> 151 2 125.822 . 119.9121211560 . . . . . . . . . . . 25665 6 >> 151 3 172.957 . 62.6334839104 . . . . . . . . . . . 25665 6 >> 152 1 8.679 . 25.5862981157 . . . . . . . . . . . 25665 6 >> 152 2 123.608 . 120.1371587520 . . . . . . . . . . . 25665 6 >> 152 3 177.469 . 71.7037702924 . . . . . . . . . . . 25665 6 >> 153 1 6.684 . 25.7775774548 . . . . . . . . . . . 25665 6 >> 153 2 111.920 . 109.8719299250 . . . . . . . . . . . 25665 6 >> 153 3 176.467 . 63.6713360169 . . . . . . . . . . . 25665 6 >> 154 1 8.172 . 26.5320920614 . . . . . . . . . . . 25665 6 >> 154 2 121.444 . 120.2254536790 . . . . . . . . . . . 25665 6 >> 154 3 176.252 . 61.2203423708 . . . . . . . . . . . 25665 6 >> 155 1 7.975 . 45.5856634444 . . . . . . . . . . . 25665 6 >> 155 2 120.899 . 123.4906953580 . . . . . . . . . . . 25665 6 >> 155 3 175.234 . 66.8012551669 . . . . . . . . . . . 25665 6 >> 156 1 9.062 . 25.9161296053 . . . . . . . . . . . 25665 6 >> 156 2 129.302 . 119.1723185690 . . . . . . . . . . . 25665 6 >> 156 3 174.132 . 65.8770191651 . . . . . . . . . . . 25665 6 >> 157 1 7.809 . 79.5335193673 . . . . . . . . . . . 25665 6 >> 157 2 118.705 . 138.8926841910 . . . . . . . . . . . 25665 6 >> 157 3 174.835 . 85.1334313967 . . . . . . . . . . . 25665 6 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Peak_contribution_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.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.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_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 . . 7.802 . 1 1 1 46 ILE H . . . . . . 197 . 25665 6 >> 1 2 . 1 . . 118.290 . 1 1 1 46 ILE N . . . . . . 198 . 25665 6 >> 1 3 . 1 . . 176.389 . 1 1 1 46 ILE C . . . . . . 541 . 25665 6 >> 2 1 . 1 . . 9.018 . 1 1 1 51 ILE H . . . . . . 147 . 25665 6 >> 2 2 . 1 . . 121.994 . 1 1 1 51 ILE N . . . . . . 148 . 25665 6 >> 2 3 . 1 . . 176.632 . 1 1 1 51 ILE C . . . . . . 488 . 25665 6 >> 3 1 . 1 . . 7.628 . 1 1 1 34 ASP H . . . . . . 58 . 25665 6 >> 3 2 . 1 . . 121.036 . 1 1 1 34 ASP N . . . . . . 59 . 25665 6 >> 3 3 . 1 . . 178.746 . 1 1 1 34 ASP C . . . . . . 395 . 25665 6 >> 4 1 . 1 . . 8.442 . 1 1 1 74 LEU H . . . . . . 63 . 25665 6 >> 4 2 . 1 . . 118.570 . 1 1 1 74 LEU N . . . . . . 64 . 25665 6 >> 4 3 . 1 . . 177.453 . 1 1 1 74 LEU C . . . . . . 399 . 25665 6 >> 5 1 . 1 . . 7.740 . 1 1 1 114 PHE H . . . . . . 129 . 25665 6 >> 5 2 . 1 . . 122.365 . 1 1 1 114 PHE N . . . . . . 130 . 25665 6 >> 5 3 . 1 . . 177.689 . 1 1 1 114 PHE C . . . . . . 469 . 25665 6 >> 6 1 . 1 . . 7.682 . 1 1 1 111 ILE H . . . . . . 151 . 25665 6 >> 6 2 . 1 . . 125.591 . 1 1 1 111 ILE N . . . . . . 152 . 25665 6 >> 6 3 . 1 . . 177.120 . 1 1 1 111 ILE C . . . . . . 493 . 25665 6 >> 7 1 . 1 . . 7.974 . 1 1 1 113 ALA H . . . . . . 143 . 25665 6 >> 7 2 . 1 . . 122.210 . 1 1 1 113 ALA N . . . . . . 144 . 25665 6 >> 7 3 . 1 . . 179.255 . 1 1 1 113 ALA C . . . . . . 483 . 25665 6 >> 8 1 . 1 . . 8.299 . 1 1 1 30 ASN H . . . . . . 175 . 25665 6 >> 8 2 . 1 . . 115.564 . 1 1 1 30 ASN N . . . . . . 176 . 25665 6 >> 8 3 . 1 . . 177.271 . 1 1 1 30 ASN C . . . . . . 520 . 25665 6 >> 9 1 . 1 . . 7.241 . 1 1 1 63 LEU H . . . . . . 49 . 25665 6 >> 9 2 . 1 . . 119.839 . 1 1 1 63 LEU N . . . . . . 50 . 25665 6 >> 9 3 . 1 . . 178.416 . 1 1 1 63 LEU C . . . . . . 387 . 25665 6 >> 10 1 . 1 . . 7.688 . 1 1 1 12 GLY H . . . . . . 250 . 25665 6 >> 10 2 . 1 . . 110.291 . 1 1 1 12 GLY N . . . . . . 251 . 25665 6 >> 10 3 . 1 . . 174.095 . 1 1 1 12 GLY C . . . . . . 592 . 25665 6 >> 11 1 . 1 . . 7.556 . 1 1 1 178 GLY H . . . . . . 260 . 25665 6 >> 11 2 . 1 . . 112.521 . 1 1 1 178 GLY N . . . . . . 261 . 25665 6 >> 11 3 . 1 . . 174.858 . 1 1 1 178 GLY C . . . . . . 604 . 25665 6 >> 12 1 . 1 . . 7.566 . 1 1 1 99 THR H . . . . . . 207 . 25665 6 >> 12 2 . 1 . . 105.195 . 1 1 1 99 THR N . . . . . . 208 . 25665 6 >> 12 3 . 1 . . 174.431 . 1 1 1 99 THR C . . . . . . 550 . 25665 6 >> 13 1 . 1 . . 7.728 . 1 1 1 65 SER H . . . . . . 219 . 25665 6 >> 13 2 . 1 . . 114.756 . 1 1 1 65 SER N . . . . . . 220 . 25665 6 >> 13 3 . 1 . . 175.912 . 1 1 1 65 SER C . . . . . . 567 . 25665 6 >> 14 1 . 1 . . 8.614 . 1 1 1 35 VAL H . . . . . . 87 . 25665 6 >> 14 2 . 1 . . 124.300 . 1 1 1 35 VAL N . . . . . . 88 . 25665 6 >> 14 3 . 1 . . 177.127 . 1 1 1 35 VAL C . . . . . . 422 . 25665 6 >> 15 1 . 1 . . 9.957 . 1 1 1 109 GLU H . . . . . . 780 . 25665 6 >> 15 2 . 1 . . 118.426 . 1 1 1 109 GLU N . . . . . . 781 . 25665 6 >> 15 3 . 1 . . 178.961 . 1 1 1 109 GLU C . . . . . . 783 . 25665 6 >> 16 1 . 1 . . 8.157 . 1 1 1 38 TYR H . . . . . . 101 . 25665 6 >> 16 2 . 1 . . 121.488 . 1 1 1 38 TYR N . . . . . . 102 . 25665 6 >> 16 3 . 1 . . 177.453 . 1 1 1 38 TYR C . . . . . . 441 . 25665 6 >> 17 1 . 1 . . 8.690 . 1 1 1 64 ASP H . . . . . . 254 . 25665 6 >> 17 2 . 1 . . 121.041 . 1 1 1 64 ASP N . . . . . . 255 . 25665 6 >> 17 3 . 3 . . 178.547 . 1 1 1 64 ASP C . . . . . . 770 . 25665 6 >> 18 1 . 1 . . 8.675 . 1 1 1 119 GLU H . . . . . . 69 . 25665 6 >> 18 2 . 1 . . 121.037 . 1 1 1 119 GLU N . . . . . . 70 . 25665 6 >> 18 3 . 1 . . 177.748 . 1 1 1 119 GLU C . . . . . . 406 . 25665 6 >> 19 1 . 1 . . 8.480 . 1 1 1 67 ILE H . . . . . . 117 . 25665 6 >> 19 2 . 1 . . 120.476 . 1 1 1 67 ILE N . . . . . . 118 . 25665 6 >> 19 3 . 1 . . 174.803 . 1 1 1 67 ILE C . . . . . . 455 . 25665 6 >> 20 1 . 1 . . 9.325 . 1 1 1 102 GLU H . . . . . . 280 . 25665 6 >> 20 2 . 1 . . 115.441 . 1 1 1 102 GLU N . . . . . . 281 . 25665 6 >> 20 3 . 1 . . 175.114 . 1 1 1 102 GLU C . . . . . . 621 . 25665 6 >> 21 1 . 2 . . 8.588 . 1 1 1 48 ASN H . . . . . . 288 . 25665 6 >> 21 2 . 2 . . 120.802 . 1 1 1 48 ASN N . . . . . . 289 . 25665 6 >> 21 3 . 2 . . 177.955 . 1 1 1 48 ASN C . . . . . . 789 . 25665 6 >> 22 1 . 1 . . 8.885 . 1 1 1 92 GLN H . . . . . . 292 . 25665 6 >> 22 2 . 1 . . 119.846 . 1 1 1 92 GLN N . . . . . . 293 . 25665 6 >> 22 3 . 1 . . 178.541 . 1 1 1 92 GLN C . . . . . . 633 . 25665 6 >> 23 1 . 1 . . 8.517 . 1 1 1 131 THR H . . . . . . 169 . 25665 6 >> 23 2 . 1 . . 117.842 . 1 1 1 131 THR N . . . . . . 170 . 25665 6 >> 23 3 . 1 . . 172.911 . 1 1 1 131 THR C . . . . . . 512 . 25665 6 >> 24 1 . 1 . . 8.522 . 1 1 1 72 ASN H . . . . . . 155 . 25665 6 >> 24 2 . 1 . . 117.936 . 1 1 1 72 ASN N . . . . . . 156 . 25665 6 >> 24 3 . 1 . . 178.772 . 1 1 1 72 ASN C . . . . . . 498 . 25665 6 >> 25 1 . 1 . . 7.911 . 1 1 1 33 ALA H . . . . . . 5 . 25665 6 >> 25 2 . 1 . . 120.608 . 1 1 1 33 ALA N . . . . . . 6 . 25665 6 >> 25 3 . 1 . . 180.192 . 1 1 1 33 ALA C . . . . . . 345 . 25665 6 >> 26 1 . 1 . . 7.658 . 1 1 1 194 ILE H . . . . . . 284 . 25665 6 >> 26 2 . 1 . . 124.655 . 1 1 1 194 ILE N . . . . . . 285 . 25665 6 >> 26 3 . 1 . . 174.897 . 1 1 1 194 ILE C . . . . . . 625 . 25665 6 >> 27 1 . 2 . . 7.662 . 1 1 1 49 TYR H . . . . . . 791 . 25665 6 >> 27 2 . 2 . . 124.478 . 1 1 1 49 TYR N . . . . . . 792 . 25665 6 >> 27 3 . 2 . . 176.722 . 1 1 1 49 TYR C . . . . . . 794 . 25665 6 >> 28 1 . 3 . . 8.845 . 1 1 1 115 LYS H . . . . . . 299 . 25665 6 >> 28 2 . 2 . . 118.821 . 1 1 1 115 LYS N . . . . . . 298 . 25665 6 >> 28 3 . 1 . . 178.077 . 1 1 1 115 LYS C . . . . . . 748 . 25665 6 >> 29 1 . 2 . . 8.808 . 1 1 1 28 THR H . . . . . . 181 . 25665 6 >> 29 2 . 1 . . 115.798 . 1 1 1 28 THR N . . . . . . 182 . 25665 6 >> 29 3 . 1 . . 172.947 . 1 1 1 28 THR C . . . . . . 735 . 25665 6 >> 30 1 . 2 . . 8.700 . 1 1 1 166 GLY H . . . . . . 787 . 25665 6 >> 30 2 . 2 . . 111.914 . 1 1 1 166 GLY N . . . . . . 55 . 25665 6 >> 30 3 . 1 . . 173.767 . 1 1 1 166 GLY C . . . . . . 736 . 25665 6 >> 31 1 . 1 . . 8.550 . 1 1 1 39 MET H . . . . . . 225 . 25665 6 >> 31 2 . 1 . . 117.246 . 1 1 1 39 MET N . . . . . . 226 . 25665 6 >> 31 3 . 1 . . 177.050 . 1 1 1 39 MET C . . . . . . 575 . 25665 6 >> 32 1 . 1 . . 9.044 . 1 1 1 127 ASN H . . . . . . 135 . 25665 6 >> 32 2 . 1 . . 109.470 . 1 1 1 127 ASN N . . . . . . 136 . 25665 6 >> 32 3 . 1 . . 174.965 . 1 1 1 127 ASN C . . . . . . 475 . 25665 6 >> 33 1 . 1 . . 7.093 . 1 1 1 105 PHE H . . . . . . 248 . 25665 6 >> 33 2 . 1 . . 126.595 . 1 1 1 105 PHE N . . . . . . 249 . 25665 6 >> 33 3 . 1 . . 172.832 . 1 1 1 105 PHE C . . . . . . 590 . 25665 6 >> 34 1 . 1 . . 7.742 . 1 1 1 62 GLU H . . . . . . 269 . 25665 6 >> 34 2 . 1 . . 118.999 . 1 1 1 62 GLU N . . . . . . 270 . 25665 6 >> 34 3 . 1 . . 179.053 . 1 1 1 62 GLU C . . . . . . 610 . 25665 6 >> 35 1 . 1 . . 7.821 . 1 1 1 18 ALA H . . . . . . 73 . 25665 6 >> 35 2 . 1 . . 121.158 . 1 1 1 18 ALA N . . . . . . 74 . 25665 6 >> 35 3 . 1 . . 179.390 . 1 1 1 18 ALA C . . . . . . 409 . 25665 6 >> 36 1 . 4 . . 8.168 . 1 1 1 37 ASP H . . . . . . 778 . 25665 6 >> 36 2 . 4 . . 119.895 . 1 1 1 37 ASP N . . . . . . 779 . 25665 6 >> 36 3 . 1 . . 178.534 . 1 1 1 37 ASP C . . . . . . 796 . 25665 6 >> 37 1 . 1 . . 7.501 . 1 1 1 11 LYS H . . . . . . 93 . 25665 6 >> 37 2 . 1 . . 124.456 . 1 1 1 11 LYS N . . . . . . 94 . 25665 6 >> 37 3 . 1 . . 179.073 . 1 1 1 11 LYS C . . . . . . 431 . 25665 6 >> 38 1 . 1 . . 8.000 . 1 1 1 164 ILE H . . . . . . 273 . 25665 6 >> 38 2 . 1 . . 124.021 . 1 1 1 164 ILE N . . . . . . 274 . 25665 6 >> 38 3 . 1 . . 173.964 . 1 1 1 164 ILE C . . . . . . 615 . 25665 6 >> 39 1 . 1 . . 7.976 . 1 1 1 50 LEU H . . . . . . 294 . 25665 6 >> 39 2 . 1 . . 120.534 . 1 1 1 50 LEU N . . . . . . 295 . 25665 6 >> 39 3 . 1 . . 175.259 . 1 1 1 50 LEU C . . . . . . 636 . 25665 6 >> 40 1 . 1 . . 7.796 . 1 1 1 15 TRP H . . . . . . 37 . 25665 6 >> 40 2 . 1 . . 125.220 . 1 1 1 15 TRP N . . . . . . 38 . 25665 6 >> 40 3 . 1 . . 178.929 . 1 1 1 15 TRP C . . . . . . 378 . 25665 6 >> 41 1 . 1 . . 7.525 . 1 1 1 76 ARG H . . . . . . 15 . 25665 6 >> 41 2 . 1 . . 121.613 . 1 1 1 76 ARG N . . . . . . 16 . 25665 6 >> 41 3 . 2 . . 175.839 . 1 1 1 76 ARG C . . . . . . 826 . 25665 6 >> 42 1 . 1 . . 8.180 . 1 1 1 68 THR H . . . . . . 185 . 25665 6 >> 42 2 . 1 . . 117.603 . 1 1 1 68 THR N . . . . . . 186 . 25665 6 >> 42 3 . 1 . . 175.304 . 1 1 1 68 THR C . . . . . . 528 . 25665 6 >> 43 1 . 1 . . 7.921 . 1 1 1 40 ARG H . . . . . . 33 . 25665 6 >> 43 2 . 1 . . 118.508 . 1 1 1 40 ARG N . . . . . . 34 . 25665 6 >> 43 3 . 1 . . 175.493 . 1 1 1 40 ARG C . . . . . . 375 . 25665 6 >> 44 1 . 1 . . 8.347 . 1 1 1 10 SER H . . . . . . 67 . 25665 6 >> 44 2 . 1 . . 118.529 . 1 1 1 10 SER N . . . . . . 68 . 25665 6 >> 44 3 . 1 . . 175.071 . 1 1 1 10 SER C . . . . . . 404 . 25665 6 >> 45 1 . 1 . . 8.008 . 1 1 1 57 ASN H . . . . . . 119 . 25665 6 >> 45 2 . 1 . . 116.700 . 1 1 1 57 ASN N . . . . . . 120 . 25665 6 >> 45 3 . 1 . . 175.885 . 1 1 1 57 ASN C . . . . . . 459 . 25665 6 >> 46 1 . 1 . . 8.762 . 1 1 1 70 ILE H . . . . . . 56 . 25665 6 >> 46 2 . 1 . . 122.882 . 1 1 1 70 ILE N . . . . . . 57 . 25665 6 >> 46 3 . 4 . . 177.093 . 1 1 1 70 ILE C . . . . . . 769 . 25665 6 >> 47 1 . 1 . . 8.874 . 1 1 1 71 GLU H . . . . . . 238 . 25665 6 >> 47 2 . 1 . . 121.234 . 1 1 1 71 GLU N . . . . . . 239 . 25665 6 >> 47 3 . 1 . . 178.024 . 1 1 1 71 GLU C . . . . . . 745 . 25665 6 >> 48 1 . 1 . . 8.734 . 1 1 1 60 ASN H . . . . . . 109 . 25665 6 >> 48 2 . 2 . . 121.327 . 1 1 1 60 ASN N . . . . . . 110 . 25665 6 >> 48 3 . 1 . . 172.018 . 1 1 1 60 ASN C . . . . . . 738 . 25665 6 >> 49 1 . 1 . . 8.928 . 1 1 1 123 LEU H . . . . . . 17 . 25665 6 >> 49 2 . 1 . . 123.971 . 1 1 1 123 LEU N . . . . . . 18 . 25665 6 >> 49 3 . 1 . . 175.278 . 1 1 1 123 LEU C . . . . . . 355 . 25665 6 >> 50 1 . 1 . . 9.199 . 1 1 1 176 ASN H . . . . . . 43 . 25665 6 >> 50 2 . 1 . . 116.251 . 1 1 1 176 ASN N . . . . . . 44 . 25665 6 >> 50 3 . 1 . . 175.130 . 1 1 1 176 ASN C . . . . . . 382 . 25665 6 >> 51 1 . 1 . . 8.976 . 1 1 1 47 ASN H . . . . . . 91 . 25665 6 >> 51 2 . 1 . . 118.088 . 1 1 1 47 ASN N . . . . . . 92 . 25665 6 >> 51 3 . 1 . . 178.032 . 1 1 1 47 ASN C . . . . . . 428 . 25665 6 >> 52 1 . 1 . . 8.508 . 1 1 1 32 LEU H . . . . . . 244 . 25665 6 >> 52 2 . 1 . . 119.434 . 1 1 1 32 LEU N . . . . . . 245 . 25665 6 >> 52 3 . 2 . . 178.034 . 1 1 1 32 LEU C . . . . . . 7 . 25665 6 >> 53 1 . 2 . . 8.624 . 1 1 1 36 ASN H . . . . . . 772 . 25665 6 >> 53 2 . 2 . . 120.171 . 1 1 1 36 ASN N . . . . . . 773 . 25665 6 >> 53 3 . 7 . . 177.162 . 1 1 1 36 ASN C . . . . . . 774 . 25665 6 >> 54 1 . 1 . . 7.721 . 1 1 1 75 LYS H . . . . . . 53 . 25665 6 >> 54 2 . 1 . . 117.419 . 1 1 1 75 LYS N . . . . . . 54 . 25665 6 >> 54 3 . 1 . . 176.603 . 1 1 1 75 LYS C . . . . . . 392 . 25665 6 >> 55 1 . 1 . . 7.691 . 1 1 1 118 TRP H . . . . . . 205 . 25665 6 >> 55 2 . 1 . . 115.043 . 1 1 1 118 TRP N . . . . . . 206 . 25665 6 >> 55 3 . 2 . . 177.157 . 1 1 1 118 TRP C . . . . . . 753 . 25665 6 >> 56 1 . 1 . . 7.665 . 1 1 1 52 SER H . . . . . . 159 . 25665 6 >> 56 2 . 1 . . 113.824 . 1 1 1 52 SER N . . . . . . 160 . 25665 6 >> 56 3 . 1 . . 173.595 . 1 1 1 52 SER C . . . . . . 502 . 25665 6 >> 57 1 . 1 . . 8.711 . 1 1 1 108 LEU H . . . . . . 209 . 25665 6 >> 57 2 . 1 . . 129.996 . 1 1 1 108 LEU N . . . . . . 210 . 25665 6 >> 57 3 . 1 . . 178.654 . 1 1 1 108 LEU C . . . . . . 554 . 25665 6 >> 58 1 . 1 . . 7.678 . 1 1 1 23 TRP H . . . . . . 123 . 25665 6 >> 58 2 . 1 . . 123.404 . 1 1 1 23 TRP N . . . . . . 124 . 25665 6 >> 58 3 . 1 . . 177.478 . 1 1 1 23 TRP C . . . . . . 461 . 25665 6 >> 59 1 . 1 . . 7.147 . 1 1 1 66 LYS H . . . . . . 133 . 25665 6 >> 59 2 . 1 . . 122.020 . 1 1 1 66 LYS N . . . . . . 134 . 25665 6 >> 59 3 . 1 . . 178.265 . 1 1 1 66 LYS C . . . . . . 472 . 25665 6 >> 60 1 . 1 . . 6.299 . 1 1 1 44 THR H . . . . . . 177 . 25665 6 >> 60 2 . 1 . . 120.889 . 1 1 1 44 THR N . . . . . . 178 . 25665 6 >> 60 3 . 1 . . 174.946 . 1 1 1 44 THR C . . . . . . 522 . 25665 6 >> 61 1 . 1 . . 6.692 . 1 1 1 27 LEU H . . . . . . 296 . 25665 6 >> 61 2 . 1 . . 119.776 . 1 1 1 27 LEU N . . . . . . 297 . 25665 6 >> 61 3 . 1 . . 177.531 . 1 1 1 27 LEU C . . . . . . 747 . 25665 6 >> 62 1 . 1 . . 7.012 . 1 1 1 107 LYS H . . . . . . 139 . 25665 6 >> 62 2 . 2 . . 120.149 . 1 1 1 107 LYS N . . . . . . 140 . 25665 6 >> 62 3 . 1 . . 176.222 . 1 1 1 107 LYS C . . . . . . 740 . 25665 6 >> 63 1 . 1 . . 6.338 . 1 1 1 177 HIS H . . . . . . 19 . 25665 6 >> 63 2 . 1 . . 125.794 . 1 1 1 177 HIS N . . . . . . 20 . 25665 6 >> 63 3 . 1 . . 172.773 . 1 1 1 177 HIS C . . . . . . 358 . 25665 6 >> 64 1 . 1 . . 7.357 . 1 1 1 129 ILE H . . . . . . 27 . 25665 6 >> 64 2 . 1 . . 119.742 . 1 1 1 129 ILE N . . . . . . 28 . 25665 6 >> 64 3 . 1 . . 173.404 . 1 1 1 129 ILE C . . . . . . 370 . 25665 6 >> 65 1 . 1 . . 7.441 . 1 1 1 117 LYS H . . . . . . 75 . 25665 6 >> 65 2 . 1 . . 120.786 . 1 1 1 117 LYS N . . . . . . 76 . 25665 6 >> 65 3 . 1 . . 177.230 . 1 1 1 117 LYS C . . . . . . 412 . 25665 6 >> 66 1 . 1 . . 7.387 . 1 1 1 25 ASN H . . . . . . 165 . 25665 6 >> 66 2 . 1 . . 118.021 . 1 1 1 25 ASN N . . . . . . 166 . 25665 6 >> 66 3 . 1 . . 175.599 . 1 1 1 25 ASN C . . . . . . 509 . 25665 6 >> 67 1 . 1 . . 7.516 . 1 1 1 81 THR H . . . . . . 25 . 25665 6 >> 67 2 . 1 . . 115.420 . 1 1 1 81 THR N . . . . . . 26 . 25665 6 >> 67 3 . 1 . . 170.276 . 1 1 1 81 THR C . . . . . . 367 . 25665 6 >> 68 1 . 1 . . 7.287 . 1 1 1 41 GLY H . . . . . . 149 . 25665 6 >> 68 2 . 1 . . 105.539 . 1 1 1 41 GLY N . . . . . . 150 . 25665 6 >> 68 3 . 1 . . 174.649 . 1 1 1 41 GLY C . . . . . . 491 . 25665 6 >> 69 1 . 1 . . 9.172 . 1 1 1 58 ASN H . . . . . . 153 . 25665 6 >> 69 2 . 1 . . 117.897 . 1 1 1 58 ASN N . . . . . . 154 . 25665 6 >> 69 3 . 1 . . 170.057 . 1 1 1 58 ASN C . . . . . . 496 . 25665 6 >> 70 1 . 1 . . 9.166 . 1 1 1 77 GLU H . . . . . . 161 . 25665 6 >> 70 2 . 1 . . 121.312 . 1 1 1 77 GLU N . . . . . . 162 . 25665 6 >> 70 3 . 1 . . 170.370 . 1 1 1 77 GLU C . . . . . . 506 . 25665 6 >> 71 1 . 1 . . 9.565 . 1 1 1 184 ASN H . . . . . . 256 . 25665 6 >> 71 2 . 1 . . 128.715 . 1 1 1 184 ASN N . . . . . . 257 . 25665 6 >> 71 3 . 1 . . 174.788 . 1 1 1 184 ASN C . . . . . . 600 . 25665 6 >> 72 1 . 3 . . 8.967 . 1 1 1 183 ILE H . . . . . . 195 . 25665 6 >> 72 2 . 3 . . 127.775 . 1 1 1 183 ILE N . . . . . . 196 . 25665 6 >> 72 3 . 4 . . 175.384 . 1 1 1 183 ILE C . . . . . . 812 . 25665 6 >> 73 1 . 1 . . 8.156 . 1 1 1 168 ALA H . . . . . . 21 . 25665 6 >> 73 2 . 1 . . 131.085 . 1 1 1 168 ALA N . . . . . . 22 . 25665 6 >> 73 3 . 1 . . 177.137 . 1 1 1 168 ALA C . . . . . . 360 . 25665 6 >> 74 1 . 1 . . 8.323 . 1 1 1 174 LEU H . . . . . . 23 . 25665 6 >> 74 2 . 1 . . 132.381 . 1 1 1 174 LEU N . . . . . . 24 . 25665 6 >> 74 3 . 1 . . 173.625 . 1 1 1 174 LEU C . . . . . . 364 . 25665 6 >> 75 1 . 1 . . 8.539 . 1 1 1 173 VAL H . . . . . . 29 . 25665 6 >> 75 2 . 1 . . 126.605 . 1 1 1 173 VAL N . . . . . . 30 . 25665 6 >> 75 3 . 4 . . 175.292 . 1 1 1 173 VAL C . . . . . . 768 . 25665 6 >> 76 1 . 1 . . 8.556 . 1 1 1 17 LYS H . . . . . . 271 . 25665 6 >> 76 2 . 1 . . 122.669 . 1 1 1 17 LYS N . . . . . . 272 . 25665 6 >> 76 3 . 1 . . 177.457 . 1 1 1 17 LYS C . . . . . . 613 . 25665 6 >> 77 1 . 1 . . 8.122 . 1 1 1 21 ASN H . . . . . . 290 . 25665 6 >> 77 2 . 1 . . 123.426 . 1 1 1 21 ASN N . . . . . . 291 . 25665 6 >> 77 3 . 1 . . 175.916 . 1 1 1 21 ASN C . . . . . . 630 . 25665 6 >> 78 1 . 1 . . 8.091 . 1 1 1 7 ASP H . . . . . . 211 . 25665 6 >> 78 2 . 1 . . 121.993 . 1 1 1 7 ASP N . . . . . . 212 . 25665 6 >> 78 3 . 1 . . 175.323 . 1 1 1 7 ASP C . . . . . . 556 . 25665 6 >> 79 1 . 1 . . 8.040 . 1 1 1 45 ALA H . . . . . . 278 . 25665 6 >> 79 2 . 1 . . 124.132 . 1 1 1 45 ALA N . . . . . . 279 . 25665 6 >> 79 3 . 1 . . 181.109 . 1 1 1 45 ALA C . . . . . . 618 . 25665 6 >> 80 1 . 1 . . 8.648 . 1 1 1 192 GLY H . . . . . . 111 . 25665 6 >> 80 2 . 1 . . 115.604 . 1 1 1 192 GLY N . . . . . . 112 . 25665 6 >> 80 3 . 1 . . 174.679 . 1 1 1 192 GLY C . . . . . . 451 . 25665 6 >> 81 1 . 1 . . 8.014 . 1 1 1 172 GLU H . . . . . . 227 . 25665 6 >> 81 2 . 1 . . 119.773 . 1 1 1 172 GLU N . . . . . . 228 . 25665 6 >> 81 3 . 1 . . 175.327 . 1 1 1 172 GLU C . . . . . . 744 . 25665 6 >> 82 1 . 1 . . 7.881 . 1 1 1 69 ASN H . . . . . . 242 . 25665 6 >> 82 2 . 1 . . 120.201 . 1 1 1 69 ASN N . . . . . . 243 . 25665 6 >> 82 3 . 1 . . 177.187 . 1 1 1 69 ASN C . . . . . . 586 . 25665 6 >> 83 1 . 1 . . 7.945 . 1 1 1 5 PHE H . . . . . . 275 . 25665 6 >> 83 2 . 1 . . 121.231 . 1 1 1 5 PHE N . . . . . . 276 . 25665 6 >> 83 3 . 3 . . 175.084 . 1 1 1 5 PHE C . . . . . . 277 . 25665 6 >> 84 1 . 1 . . 7.823 . 1 1 1 128 PHE H . . . . . . 191 . 25665 6 >> 84 2 . 1 . . 117.143 . 1 1 1 128 PHE N . . . . . . 192 . 25665 6 >> 84 3 . 1 . . 176.153 . 1 1 1 128 PHE C . . . . . . 535 . 25665 6 >> 85 1 . 1 . . 8.483 . 1 1 1 154 LYS H . . . . . . 232 . 25665 6 >> 85 2 . 1 . . 125.037 . 1 1 1 154 LYS N . . . . . . 233 . 25665 6 >> 85 3 . 1 . . 176.330 . 1 1 1 154 LYS C . . . . . . 579 . 25665 6 >> 86 1 . 1 . . 8.956 . 1 1 1 202 THR H . . . . . . 240 . 25665 6 >> 86 2 . 1 . . 117.776 . 1 1 1 202 THR N . . . . . . 241 . 25665 6 >> 86 3 . 1 . . 173.101 . 1 1 1 202 THR C . . . . . . 584 . 25665 6 >> 87 1 . 1 . . 8.247 . 1 1 1 124 SER H . . . . . . 286 . 25665 6 >> 87 2 . 1 . . 117.234 . 1 1 1 124 SER N . . . . . . 287 . 25665 6 >> 87 3 . 1 . . 172.620 . 1 1 1 124 SER C . . . . . . 627 . 25665 6 >> 88 1 . 2 . . 8.978 . 1 1 1 151 THR H . . . . . . 837 . 25665 6 >> 88 2 . 2 . . 123.766 . 1 1 1 151 THR N . . . . . . 836 . 25665 6 >> 88 3 . 2 . . 172.405 . 1 1 1 151 THR C . . . . . . 839 . 25665 6 >> 89 1 . 1 . . 7.886 . 1 1 1 179 SER H . . . . . . 81 . 25665 6 >> 89 2 . 1 . . 118.362 . 1 1 1 179 SER N . . . . . . 82 . 25665 6 >> 89 3 . 1 . . 170.689 . 1 1 1 179 SER C . . . . . . 415 . 25665 6 >> 90 1 . 1 . . 9.142 . 1 1 1 201 ALA H . . . . . . 125 . 25665 6 >> 90 2 . 1 . . 128.844 . 1 1 1 201 ALA N . . . . . . 126 . 25665 6 >> 90 3 . 1 . . 175.516 . 1 1 1 201 ALA C . . . . . . 463 . 25665 6 >> 91 1 . 1 . . 8.494 . 1 1 1 191 ASP H . . . . . . 103 . 25665 6 >> 91 2 . 1 . . 126.804 . 1 1 1 191 ASP N . . . . . . 104 . 25665 6 >> 91 3 . 1 . . 175.931 . 1 1 1 191 ASP C . . . . . . 443 . 25665 6 >> 92 1 . 1 . . 7.710 . 1 1 1 185 LYS H . . . . . . 10 . 25665 6 >> 92 2 . 1 . . 117.736 . 1 1 1 185 LYS N . . . . . . 11 . 25665 6 >> 92 3 . 1 . . 172.956 . 1 1 1 185 LYS C . . . . . . 350 . 25665 6 >> 93 1 . 1 . . 8.047 . 1 1 1 20 TYR H . . . . . . 95 . 25665 6 >> 93 2 . 1 . . 115.607 . 1 1 1 20 TYR N . . . . . . 96 . 25665 6 >> 93 3 . 1 . . 175.352 . 1 1 1 20 TYR C . . . . . . 433 . 25665 6 >> 94 1 . 1 . . 8.422 . 1 1 1 54 GLY H . . . . . . 39 . 25665 6 >> 94 2 . 1 . . 109.447 . 1 1 1 54 GLY N . . . . . . 40 . 25665 6 >> 94 3 . 1 . . 171.867 . 1 1 1 54 GLY C . . . . . . 379 . 25665 6 >> 95 1 . 1 . . 7.546 . 1 1 1 95 GLY H . . . . . . 252 . 25665 6 >> 95 2 . 1 . . 107.206 . 1 1 1 95 GLY N . . . . . . 253 . 25665 6 >> 95 3 . 1 . . 173.371 . 1 1 1 95 GLY C . . . . . . 595 . 25665 6 >> 96 1 . 1 . . 8.534 . 1 1 1 79 ILE H . . . . . . 173 . 25665 6 >> 96 2 . 1 . . 122.936 . 1 1 1 79 ILE N . . . . . . 174 . 25665 6 >> 96 3 . 1 . . 178.931 . 1 1 1 79 ILE C . . . . . . 517 . 25665 6 >> 97 1 . 1 . . 8.048 . 1 1 1 97 THR H . . . . . . 266 . 25665 6 >> 97 2 . 1 . . 110.049 . 1 1 1 97 THR N . . . . . . 267 . 25665 6 >> 97 3 . 3 . . 174.509 . 1 1 1 97 THR C . . . . . . 268 . 25665 6 >> 98 1 . 1 . . 8.767 . 1 1 1 42 GLY H . . . . . . 85 . 25665 6 >> 98 2 . 1 . . 114.123 . 1 1 1 42 GLY N . . . . . . 86 . 25665 6 >> 98 3 . 1 . . 173.039 . 1 1 1 42 GLY C . . . . . . 420 . 25665 6 >> 99 1 . 3 . . 8.261 . 1 1 1 158 GLY H . . . . . . 798 . 25665 6 >> 99 2 . 3 . . 109.838 . 1 1 1 158 GLY N . . . . . . 799 . 25665 6 >> 99 3 . 3 . . 169.573 . 1 1 1 158 GLY C . . . . . . 803 . 25665 6 >> 100 1 . 1 . . 9.074 . 1 1 1 182 LYS H . . . . . . 3 . 25665 6 >> 100 2 . 1 . . 125.065 . 1 1 1 182 LYS N . . . . . . 4 . 25665 6 >> 100 3 . 1 . . 175.406 . 1 1 1 182 LYS C . . . . . . 342 . 25665 6 >> 101 1 . 1 . . 8.461 . 1 1 1 98 LEU H . . . . . . 47 . 25665 6 >> 101 2 . 1 . . 118.709 . 1 1 1 98 LEU N . . . . . . 48 . 25665 6 >> 101 3 . 1 . . 177.909 . 1 1 1 98 LEU C . . . . . . 385 . 25665 6 >> 102 1 . 1 . . 8.051 . 1 1 1 6 LYS H . . . . . . 167 . 25665 6 >> 102 2 . 1 . . 123.693 . 1 1 1 6 LYS N . . . . . . 168 . 25665 6 >> 102 3 . 1 . . 175.365 . 1 1 1 6 LYS C . . . . . . 741 . 25665 6 >> 103 1 . 1 . . 7.550 . 1 1 1 100 SER H . . . . . . 1 . 25665 6 >> 103 2 . 2 . . 123.263 . 1 1 1 100 SER N . . . . . . 2 . 25665 6 >> 103 3 . 1 . . 174.110 . 1 1 1 100 SER C . . . . . . 734 . 25665 6 >> 104 1 . 1 . . 8.469 . 1 1 1 204 ILE H . . . . . . 41 . 25665 6 >> 104 2 . 1 . . 128.322 . 1 1 1 204 ILE N . . . . . . 42 . 25665 6 >> 104 3 . 1 . . 172.856 . 1 1 1 204 ILE C . . . . . . 381 . 25665 6 >> 105 1 . 1 . . 9.131 . 1 1 1 150 ILE H . . . . . . 203 . 25665 6 >> 105 2 . 1 . . 129.479 . 1 1 1 150 ILE N . . . . . . 204 . 25665 6 >> 105 3 . 1 . . 174.795 . 1 1 1 150 ILE C . . . . . . 548 . 25665 6 >> 106 1 . 1 . . 7.918 . 1 1 1 121 GLN H . . . . . . 60 . 25665 6 >> 106 2 . 1 . . 119.638 . 1 1 1 121 GLN N . . . . . . 61 . 25665 6 >> 106 3 . 1 . . 173.256 . 1 1 1 121 GLN C . . . . . . 737 . 25665 6 >> 107 1 . 1 . . 7.601 . 1 1 1 156 SER H . . . . . . 113 . 25665 6 >> 107 2 . 2 . . 119.785 . 1 1 1 156 SER N . . . . . . 114 . 25665 6 >> 107 3 . 1 . . 169.193 . 1 1 1 156 SER C . . . . . . 739 . 25665 6 >> 108 1 . 1 . . 8.219 . 1 1 1 3 LEU H . . . . . . 99 . 25665 6 >> 108 2 . 1 . . 124.018 . 1 1 1 3 LEU N . . . . . . 100 . 25665 6 >> 108 3 . 1 . . 176.345 . 1 1 1 3 LEU C . . . . . . 437 . 25665 6 >> 109 1 . 1 . . 8.865 . 1 1 1 181 PHE H . . . . . . 217 . 25665 6 >> 109 2 . 1 . . 118.637 . 1 1 1 181 PHE N . . . . . . 218 . 25665 6 >> 109 3 . 1 . . 174.558 . 1 1 1 181 PHE C . . . . . . 563 . 25665 6 >> 110 1 . 1 . . 7.670 . 1 1 1 167 TYR H . . . . . . 236 . 25665 6 >> 110 2 . 1 . . 122.375 . 1 1 1 167 TYR N . . . . . . 237 . 25665 6 >> 110 3 . 1 . . 175.505 . 1 1 1 167 TYR C . . . . . . 582 . 25665 6 >> 111 1 . 1 . . 8.726 . 1 1 1 188 SER H . . . . . . 171 . 25665 6 >> 111 2 . 1 . . 114.587 . 1 1 1 188 SER N . . . . . . 172 . 25665 6 >> 111 3 . 1 . . 172.686 . 1 1 1 188 SER C . . . . . . 514 . 25665 6 >> 112 1 . 1 . . 8.595 . 1 1 1 175 LEU H . . . . . . 199 . 25665 6 >> 112 2 . 1 . . 123.661 . 1 1 1 175 LEU N . . . . . . 200 . 25665 6 >> 112 3 . 1 . . 177.042 . 1 1 1 175 LEU C . . . . . . 543 . 25665 6 >> 113 1 . 1 . . 9.059 . 1 1 1 200 ASP H . . . . . . 145 . 25665 6 >> 113 2 . 1 . . 129.967 . 1 1 1 200 ASP N . . . . . . 146 . 25665 6 >> 113 3 . 1 . . 174.796 . 1 1 1 200 ASP C . . . . . . 485 . 25665 6 >> 114 1 . 1 . . 7.681 . 1 1 1 96 LEU H . . . . . . 115 . 25665 6 >> 114 2 . 1 . . 120.137 . 1 1 1 96 LEU N . . . . . . 116 . 25665 6 >> 114 3 . 1 . . 174.698 . 1 1 1 96 LEU C . . . . . . 452 . 25665 6 >> 115 1 . 1 . . 9.081 . 1 1 1 86 TYR H . . . . . . 137 . 25665 6 >> 115 2 . 1 . . 116.426 . 1 1 1 86 TYR N . . . . . . 138 . 25665 6 >> 115 3 . 1 . . 175.974 . 1 1 1 86 TYR C . . . . . . 477 . 25665 6 >> 116 1 . 1 . . 8.317 . 1 1 1 122 ALA H . . . . . . 83 . 25665 6 >> 116 2 . 1 . . 121.549 . 1 1 1 122 ALA N . . . . . . 84 . 25665 6 >> 116 3 . 1 . . 176.523 . 1 1 1 122 ALA C . . . . . . 418 . 25665 6 >> 117 1 . 2 . . 8.285 . 1 1 1 203 LEU H . . . . . . 776 . 25665 6 >> 117 2 . 1 . . 129.709 . 1 1 1 203 LEU N . . . . . . 62 . 25665 6 >> 117 3 . 2 . . 174.288 . 1 1 1 203 LEU C . . . . . . 817 . 25665 6 >> 118 1 . 1 . . 7.570 . 1 1 1 43 TYR H . . . . . . 221 . 25665 6 >> 118 2 . 1 . . 118.077 . 1 1 1 43 TYR N . . . . . . 222 . 25665 6 >> 118 3 . 1 . . 175.786 . 1 1 1 43 TYR C . . . . . . 568 . 25665 6 >> 119 1 . 1 . . 8.758 . 1 1 1 187 ASP H . . . . . . 223 . 25665 6 >> 119 2 . 1 . . 128.023 . 1 1 1 187 ASP N . . . . . . 224 . 25665 6 >> 119 3 . 1 . . 173.635 . 1 1 1 187 ASP C . . . . . . 571 . 25665 6 >> 120 1 . 1 . . 6.889 . 1 1 1 104 ASP H . . . . . . 89 . 25665 6 >> 120 2 . 1 . . 115.820 . 1 1 1 104 ASP N . . . . . . 90 . 25665 6 >> 120 3 . 1 . . 176.413 . 1 1 1 104 ASP C . . . . . . 426 . 25665 6 >> 121 1 . 1 . . 8.096 . 1 1 1 106 ASN H . . . . . . 187 . 25665 6 >> 121 2 . 1 . . 118.182 . 1 1 1 106 ASN N . . . . . . 188 . 25665 6 >> 121 3 . 1 . . 175.400 . 1 1 1 106 ASN C . . . . . . 531 . 25665 6 >> 122 1 . 1 . . 8.999 . 1 1 1 189 TYR H . . . . . . 141 . 25665 6 >> 122 2 . 1 . . 119.659 . 1 1 1 189 TYR N . . . . . . 142 . 25665 6 >> 122 3 . 1 . . 171.418 . 1 1 1 189 TYR C . . . . . . 479 . 25665 6 >> 123 1 . 1 . . 8.367 . 1 1 1 197 LEU H . . . . . . 258 . 25665 6 >> 123 2 . 1 . . 116.841 . 1 1 1 197 LEU N . . . . . . 259 . 25665 6 >> 123 3 . 1 . . 175.685 . 1 1 1 197 LEU C . . . . . . 602 . 25665 6 >> 124 1 . 1 . . 7.972 . 1 1 1 125 TYR H . . . . . . 179 . 25665 6 >> 124 2 . 1 . . 124.150 . 1 1 1 125 TYR N . . . . . . 180 . 25665 6 >> 124 3 . 1 . . 173.620 . 1 1 1 125 TYR C . . . . . . 742 . 25665 6 >> 125 1 . 1 . . 7.438 . 1 1 1 146 ILE H . . . . . . 201 . 25665 6 >> 125 2 . 1 . . 117.923 . 1 1 1 146 ILE N . . . . . . 202 . 25665 6 >> 125 3 . 1 . . 173.230 . 1 1 1 146 ILE C . . . . . . 545 . 25665 6 >> 126 1 . 2 . . 9.765 . 1 1 1 152 ILE H . . . . . . 831 . 25665 6 >> 126 2 . 2 . . 131.190 . 1 1 1 152 ILE N . . . . . . 832 . 25665 6 >> 126 3 . 2 . . 173.156 . 1 1 1 152 ILE C . . . . . . 834 . 25665 6 >> 127 1 . 1 . . 8.336 . 1 1 1 170 GLU H . . . . . . 262 . 25665 6 >> 127 2 . 2 . . 123.985 . 1 1 1 170 GLU N . . . . . . 263 . 25665 6 >> 127 3 . 1 . . 174.430 . 1 1 1 170 GLU C . . . . . . 746 . 25665 6 >> 128 1 . 1 . . 8.993 . 1 1 1 85 VAL H . . . . . . 157 . 25665 6 >> 128 2 . 1 . . 118.747 . 1 1 1 85 VAL N . . . . . . 158 . 25665 6 >> 128 3 . 1 . . 173.354 . 1 1 1 85 VAL C . . . . . . 499 . 25665 6 >> 129 1 . 1 . . 8.759 . 1 1 1 196 LYS H . . . . . . 35 . 25665 6 >> 129 2 . 1 . . 128.826 . 1 1 1 196 LYS N . . . . . . 36 . 25665 6 >> 129 3 . 1 . . 172.716 . 1 1 1 196 LYS C . . . . . . 377 . 25665 6 >> 130 1 . 1 . . 7.263 . 1 1 1 163 ALA H . . . . . . 246 . 25665 6 >> 130 2 . 1 . . 122.092 . 1 1 1 163 ALA N . . . . . . 247 . 25665 6 >> 130 3 . 1 . . 177.108 . 1 1 1 163 ALA C . . . . . . 588 . 25665 6 >> 131 1 . 1 . . 8.471 . 1 1 1 190 LYS H . . . . . . 105 . 25665 6 >> 131 2 . 1 . . 120.349 . 1 1 1 190 LYS N . . . . . . 106 . 25665 6 >> 131 3 . 1 . . 177.083 . 1 1 1 190 LYS C . . . . . . 447 . 25665 6 >> 132 1 . 1 . . 8.064 . 1 1 1 180 LYS H . . . . . . 264 . 25665 6 >> 132 2 . 1 . . 122.518 . 1 1 1 180 LYS N . . . . . . 265 . 25665 6 >> 132 3 . 1 . . 173.867 . 1 1 1 180 LYS C . . . . . . 606 . 25665 6 >> 133 1 . 1 . . 7.986 . 1 1 1 82 ASN H . . . . . . 127 . 25665 6 >> 133 2 . 1 . . 121.681 . 1 1 1 82 ASN N . . . . . . 128 . 25665 6 >> 133 3 . 1 . . 174.300 . 1 1 1 82 ASN C . . . . . . 466 . 25665 6 >> 134 1 . 1 . . 8.421 . 1 1 1 73 ALA H . . . . . . 230 . 25665 6 >> 134 2 . 1 . . 125.086 . 1 1 1 73 ALA N . . . . . . 231 . 25665 6 >> 134 3 . 1 . . 175.684 . 1 1 1 73 ALA C . . . . . . 577 . 25665 6 >> 135 1 . 1 . . 8.404 . 1 1 1 84 THR H . . . . . . 303 . 25665 6 >> 135 2 . 1 . . 125.348 . 1 1 1 84 THR N . . . . . . 302 . 25665 6 >> 135 3 . 1 . . 175.639 . 1 1 1 84 THR C . . . . . . 640 . 25665 6 >> 136 1 . 1 . . 8.420 . 1 1 1 22 ASP H . . . . . . 310 . 25665 6 >> 136 2 . 1 . . 117.987 . 1 1 1 22 ASP N . . . . . . 311 . 25665 6 >> 136 3 . 2 . . 176.050 . 1 1 1 22 ASP C . . . . . . 334 . 25665 6 >> 137 1 . 1 . . 8.593 . 1 1 1 193 THR H . . . . . . 312 . 25665 6 >> 137 2 . 1 . . 118.365 . 1 1 1 193 THR N . . . . . . 313 . 25665 6 >> 137 3 . 1 . . 177.998 . 1 1 1 193 THR C . . . . . . 645 . 25665 6 >> 138 1 . 1 . . 9.009 . 1 1 1 87 ARG H . . . . . . 314 . 25665 6 >> 138 2 . 1 . . 120.361 . 1 1 1 87 ARG N . . . . . . 315 . 25665 6 >> 138 3 . 1 . . 173.805 . 1 1 1 87 ARG C . . . . . . 647 . 25665 6 >> 139 1 . 1 . . 9.355 . 1 1 1 199 VAL H . . . . . . 318 . 25665 6 >> 139 2 . 1 . . 131.584 . 1 1 1 199 VAL N . . . . . . 319 . 25665 6 >> 139 3 . 1 . . 173.300 . 1 1 1 199 VAL C . . . . . . 652 . 25665 6 >> 140 1 . 1 . . 7.605 . 1 1 1 93 GLU H . . . . . . 323 . 25665 6 >> 140 2 . 1 . . 120.668 . 1 1 1 93 GLU N . . . . . . 324 . 25665 6 >> 140 3 . 1 . . 174.742 . 1 1 1 93 GLU C . . . . . . 658 . 25665 6 >> 141 1 . 1 . . 8.853 . 1 1 1 88 ARG H . . . . . . 325 . 25665 6 >> 141 2 . 1 . . 127.211 . 1 1 1 88 ARG N . . . . . . 326 . 25665 6 >> 141 3 . 1 . . 174.983 . 1 1 1 88 ARG C . . . . . . 661 . 25665 6 >> 142 1 . 1 . . 8.585 . 1 1 1 198 ILE H . . . . . . 45 . 25665 6 >> 142 2 . 1 . . 120.908 . 1 1 1 198 ILE N . . . . . . 46 . 25665 6 >> 142 3 . 1 . . 174.467 . 1 1 1 198 ILE C . . . . . . 815 . 25665 6 >> 143 1 . 1 . . 8.527 . 1 1 1 195 THR H . . . . . . 215 . 25665 6 >> 143 2 . 1 . . 126.038 . 1 1 1 195 THR N . . . . . . 216 . 25665 6 >> 143 3 . 1 . . 172.226 . 1 1 1 195 THR C . . . . . . 814 . 25665 6 >> 144 1 . 1 . . 7.957 . 1 1 1 112 ASP H . . . . . . 282 . 25665 6 >> 144 2 . 1 . . 121.083 . 1 1 1 112 ASP N . . . . . . 283 . 25665 6 >> 144 3 . 1 . . 178.799 . 1 1 1 112 ASP C . . . . . . 810 . 25665 6 >> 145 1 . 1 . . 7.383 . 1 1 1 103 TYR H . . . . . . 300 . 25665 6 >> 145 2 . 1 . . 117.368 . 1 1 1 103 TYR N . . . . . . 301 . 25665 6 >> 145 3 . 1 . . 172.971 . 1 1 1 103 TYR C . . . . . . 785 . 25665 6 >> 146 1 . 1 . . 8.422 . 1 1 1 171 TYR H . . . . . . 304 . 25665 6 >> 146 2 . 1 . . 124.528 . 1 1 1 171 TYR N . . . . . . 305 . 25665 6 >> 146 3 . 1 . . 175.686 . 1 1 1 171 TYR C . . . . . . 821 . 25665 6 >> 147 1 . 1 . . 6.986 . 1 1 1 159 ALA H . . . . . . 800 . 25665 6 >> 147 2 . 1 . . 113.087 . 1 1 1 159 ALA N . . . . . . 801 . 25665 6 >> 147 3 . 1 . . 174.370 . 1 1 1 159 ALA C . . . . . . 805 . 25665 6 >> 148 1 . 1 . . 7.804 . 1 1 1 26 LYS H . . . . . . 71 . 25665 6 >> 148 2 . 1 . . 119.625 . 1 1 1 26 LYS N . . . . . . 72 . 25665 6 >> 148 3 . 5 . . 175.596 . 1 1 1 26 LYS C . . . . . . 229 . 25665 6 >> 149 1 . 1 . . 7.440 . 1 1 1 31 GLU H . . . . . . 65 . 25665 6 >> 149 2 . 1 . . 120.998 . 1 1 1 31 GLU N . . . . . . 66 . 25665 6 >> 149 3 . 1 . . 177.268 . 1 1 1 31 GLU C . . . . . . 808 . 25665 6 >> 150 1 . 1 . . 7.845 . 1 1 1 53 ASN H . . . . . . 121 . 25665 6 >> 150 2 . 1 . . 119.040 . 1 1 1 53 ASN N . . . . . . 122 . 25665 6 >> 150 3 . 1 . . 174.810 . 1 1 1 53 ASN C . . . . . . 809 . 25665 6 >> 151 1 . 1 . . 9.103 . 1 1 1 186 ILE H . . . . . . 97 . 25665 6 >> 151 2 . 1 . . 125.822 . 1 1 1 186 ILE N . . . . . . 98 . 25665 6 >> 151 3 . 1 . . 172.957 . 1 1 1 186 ILE C . . . . . . 813 . 25665 6 >> 152 1 . 1 . . 8.679 . 1 1 1 13 ASP H . . . . . . 13 . 25665 6 >> 152 2 . 1 . . 123.608 . 1 1 1 13 ASP N . . . . . . 14 . 25665 6 >> 152 3 . 1 . . 177.469 . 1 1 1 13 ASP C . . . . . . 80 . 25665 6 >> 153 1 . 1 . . 6.684 . 1 1 1 56 VAL H . . . . . . 213 . 25665 6 >> 153 2 . 1 . . 111.920 . 1 1 1 56 VAL N . . . . . . 214 . 25665 6 >> 153 3 . 1 . . 176.467 . 1 1 1 56 VAL C . . . . . . 823 . 25665 6 >> 154 1 . 1 . . 8.172 . 1 1 1 8 ASP H . . . . . . 193 . 25665 6 >> 154 2 . 1 . . 121.444 . 1 1 1 8 ASP N . . . . . . 194 . 25665 6 >> 154 3 . 1 . . 176.252 . 1 1 1 8 ASP C . . . . . . 830 . 25665 6 >> 155 1 . 1 . . 7.975 . 1 1 1 4 ASP H . . . . . . 189 . 25665 6 >> 155 2 . 1 . . 120.899 . 1 1 1 4 ASP N . . . . . . 190 . 25665 6 >> 155 3 . 1 . . 175.234 . 1 1 1 4 ASP C . . . . . . 827 . 25665 6 >> 156 1 . 1 . . 9.062 . 1 1 1 149 ARG H . . . . . . 51 . 25665 6 >> 156 2 . 1 . . 129.302 . 1 1 1 149 ARG N . . . . . . 52 . 25665 6 >> 156 3 . 1 . . 174.132 . 1 1 1 149 ARG C . . . . . . 841 . 25665 6 >> 157 1 . 1 . . 7.809 . 1 1 1 110 ASN H . . . . . . 183 . 25665 6 >> 157 2 . 1 . . 118.705 . 1 1 1 110 ASN N . . . . . . 184 . 25665 6 >> 157 3 . 1 . . 174.835 . 1 1 1 110 ASN C . . . . . . 743 . 25665 6 >> >> stop_ >> >>save_ >> ; save_ save_peak_list_1_2_3_4_5_6_7 _Saveframe_category spectral_peak_list _Details 'Default list' _Experiment_label 'HNcoCA (H[N[co[{CA|ca[C]}]]])' _Number_of_spectral_dimensions 3 loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H 1H 2 N 15N 3 C 13C stop_ _Sample_label $13C15N-cMSD1 _Sample_conditions_label $cMSD1_1 _Text_data_format "NMR-STAR v3" _Text_data ; >>save_peak_list_1_2_3_4_5_6_7 >> _Spectral_peak_list.Sf_category spectral_peak_list >> _Spectral_peak_list.Sf_framecode peak_list_1_2_3_4_5_6_7 >> _Spectral_peak_list.Entry_ID 25665 >> _Spectral_peak_list.ID 7 >> _Spectral_peak_list.Sample_ID 1 >> _Spectral_peak_list.Sample_label $13C15N-cMSD1 >> _Spectral_peak_list.Sample_condition_list_ID 1 >> _Spectral_peak_list.Sample_condition_list_label $cMSD1_1 >> _Spectral_peak_list.Experiment_ID 7 >> _Spectral_peak_list.Experiment_name 'HNcoCA (H[N[co[{CA|ca[C]}]]])' >> _Spectral_peak_list.Number_of_spectral_dimensions 3 >> _Spectral_peak_list.Details 'Default list' >> _Spectral_peak_list.Text_data_format . >> _Spectral_peak_list.Text_data . >> >> loop_ >> _Spectral_dim.ID >> _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.Center_frequency_offset >> _Spectral_dim.Encoding_code >> _Spectral_dim.Encoded_source_dimension_ID >> _Spectral_dim.Entry_ID >> _Spectral_dim.Spectral_peak_list_ID >> >> 1 H 1 1H . . 4169.17089844 . . . . 25665 7 >> 2 N 15 15N . . 2595.20507812 . . . . 25665 7 >> 3 C 13 13C . . 7043.34619141 . . . . 25665 7 >> >> stop_ >> >> loop_ >> _Peak.ID >> _Peak.Figure_of_merit >> _Peak.Details >> _Peak.Entry_ID >> _Peak.Spectral_peak_list_ID >> >> 1 1.0 . 25665 7 >> 2 1.0 . 25665 7 >> 3 1.0 . 25665 7 >> 4 1.0 . 25665 7 >> 5 1.0 . 25665 7 >> >> 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 4838112.0000 . height 25665 7 >> 1 98751578.2500 . volume 25665 7 >> 2 7248786.0000 . height 25665 7 >> 2 149838268.5000 . volume 25665 7 >> 3 4799128.0000 . height 25665 7 >> 3 101295834.0000 . volume 25665 7 >> 4 5349410.5000 . height 25665 7 >> 4 109134189.2500 . volume 25665 7 >> 5 1074696.2500 . height 25665 7 >> 5 22557858.1875 . volume 25665 7 >> >> 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 8.887 . 26.5838162872 . . . . . . . . . . . 25665 7 >> 1 2 119.824 . 69.5283103533 . . . . . . . . . . . 25665 7 >> 1 3 64.647 . 112.1265551990 . . . . . . . . . . . 25665 7 >> 2 1 8.338 . 26.0559712794 . . . . . . . . . . . 25665 7 >> 2 2 118.415 . 69.3964403024 . . . . . . . . . . . 25665 7 >> 2 3 64.122 . 116.9795215280 . . . . . . . . . . . 25665 7 >> 3 1 8.218 . 23.2170133578 . . . . . . . . . . . 25665 7 >> 3 2 124.072 . 80.3557309843 . . . . . . . . . . . 25665 7 >> 3 3 58.245 . 109.7274819670 . . . . . . . . . . . 25665 7 >> 4 1 8.340 . 27.5243088580 . . . . . . . . . . . 25665 7 >> 4 2 123.978 . 69.0645608955 . . . . . . . . . . . 25665 7 >> 4 3 44.999 . 106.7981944820 . . . . . . . . . . . 25665 7 >> 5 1 7.572 . 34.5930475814 . . . . . . . . . . . 25665 7 >> 5 2 128.974 . 68.4528153423 . . . . . . . . . . . 25665 7 >> 5 3 54.906 . 122.0823190920 . . . . . . . . . . . 25665 7 >> >> stop_ >> >> loop_ >> _Assigned_peak_chem_shift.Peak_ID >> _Assigned_peak_chem_shift.Spectral_dim_ID >> _Assigned_peak_chem_shift.Peak_contribution_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.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.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_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 . . 8.887 . 1 1 1 92 GLN H . . . . . . 292 . 25665 7 >> 1 2 . 1 . . 119.824 . 1 1 1 92 GLN N . . . . . . 293 . 25665 7 >> 1 3 . 2 . . 64.647 . 1 1 1 91 PRO CA . . . . . . 761 . 25665 7 >> 2 1 . 1 . . 8.338 . 1 1 1 10 SER H . . . . . . 67 . 25665 7 >> 2 2 . 1 . . 118.415 . 1 1 1 10 SER N . . . . . . 68 . 25665 7 >> 2 3 . 1 . . 64.122 . 1 1 1 9 VAL CA . . . . . . 333 . 25665 7 >> 3 1 . 2 . . 8.218 . 1 1 1 3 LEU H . . . . . . 99 . 25665 7 >> 3 2 . 2 . . 124.072 . 1 1 1 3 LEU N . . . . . . 100 . 25665 7 >> 3 3 . 1 . . 58.245 . 1 1 1 2 SER CA . . . . . . 771 . 25665 7 >> 4 1 . 1 . . 8.340 . 1 1 1 170 GLU H . . . . . . 262 . 25665 7 >> 4 2 . 2 . . 123.978 . 1 1 1 170 GLU N . . . . . . 263 . 25665 7 >> 4 3 . 2 . . 44.999 . 1 1 1 169 GLY CA . . . . . . 756 . 25665 7 >> 5 1 . 1 . . 7.572 . 1 1 1 161 LEU H . . . . . . 316 . 25665 7 >> 5 2 . 1 . . 128.974 . 1 1 1 161 LEU N . . . . . . 317 . 25665 7 >> 5 3 . 2 . . 54.906 . 1 1 1 160 TYR CA . . . . . . 765 . 25665 7 >> >> stop_ >> >>save_ >> ; save_