data_11522 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N backbone resonance assignments of the monomeric human M-ficolin fibrinogen-like domain secreted by Brevibacillus choshinensis ; _BMRB_accession_number 11522 _BMRB_flat_file_name bmr11522.str _Entry_type original _Submission_date 2013-02-22 _Accession_date 2013-02-22 _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 Tanio Michikazu . . 2 Kusunoki Hideki . . 3 Kohno Toshiyuki . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 208 "13C chemical shifts" 650 "15N chemical shifts" 208 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-06-04 original author . stop_ _Original_release_date 2013-06-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C and 15N backbone resonance assignments of the monomeric human M-ficolin fibrinogen-like domain secreted by Brevibacillus choshinensis' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23708873 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tanio Michikazu . . 2 Kusunoki Hideki . . 3 Kohno Toshiyuki . . stop_ _Journal_abbreviation 'Biomol NMR Assign.' _Journal_name_full 'Biomolecular NMR Assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'the monomeric human M-ficolin fibrinogen-like domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'the monomeric human M-ficolin fibrinogen-like domain' $M-ficolin stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_M-ficolin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common M-ficolin _Molecular_mass . _Mol_thiol_state 'free and disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 238 _Mol_residue_sequence ; AGSPRNCKDLLDRGYSSSGW HTIYLPDCRPLTVLCDMDTD GGGWTVFQRRMDGSVDFYRD WAAYKQGFGSQLGEFWLGND NIHALTAQGSSELRVDLVDF EGNHQFAKYKSFKVADEAEK YKLVLGAFVGGSAGNSLTGH NNNFFSTKDQDNDVSSSNCA EKFQGAWWYADCHASNLNGL YLMGPHESYANGINWSAAKG YKYSYKVSEMKVRPAFLEQK LISEEDLNSAVDHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 112 ALA 2 113 GLY 3 114 SER 4 115 PRO 5 116 ARG 6 117 ASN 7 118 CYS 8 119 LYS 9 120 ASP 10 121 LEU 11 122 LEU 12 123 ASP 13 124 ARG 14 125 GLY 15 126 TYR 16 127 SER 17 128 SER 18 129 SER 19 130 GLY 20 131 TRP 21 132 HIS 22 133 THR 23 134 ILE 24 135 TYR 25 136 LEU 26 137 PRO 27 138 ASP 28 139 CYS 29 140 ARG 30 141 PRO 31 142 LEU 32 143 THR 33 144 VAL 34 145 LEU 35 146 CYS 36 147 ASP 37 148 MET 38 149 ASP 39 150 THR 40 151 ASP 41 152 GLY 42 153 GLY 43 154 GLY 44 155 TRP 45 156 THR 46 157 VAL 47 158 PHE 48 159 GLN 49 160 ARG 50 161 ARG 51 162 MET 52 163 ASP 53 164 GLY 54 165 SER 55 166 VAL 56 167 ASP 57 168 PHE 58 169 TYR 59 170 ARG 60 171 ASP 61 172 TRP 62 173 ALA 63 174 ALA 64 175 TYR 65 176 LYS 66 177 GLN 67 178 GLY 68 179 PHE 69 180 GLY 70 181 SER 71 182 GLN 72 183 LEU 73 184 GLY 74 185 GLU 75 186 PHE 76 187 TRP 77 188 LEU 78 189 GLY 79 190 ASN 80 191 ASP 81 192 ASN 82 193 ILE 83 194 HIS 84 195 ALA 85 196 LEU 86 197 THR 87 198 ALA 88 199 GLN 89 200 GLY 90 201 SER 91 202 SER 92 203 GLU 93 204 LEU 94 205 ARG 95 206 VAL 96 207 ASP 97 208 LEU 98 209 VAL 99 210 ASP 100 211 PHE 101 212 GLU 102 213 GLY 103 214 ASN 104 215 HIS 105 216 GLN 106 217 PHE 107 218 ALA 108 219 LYS 109 220 TYR 110 221 LYS 111 222 SER 112 223 PHE 113 224 LYS 114 225 VAL 115 226 ALA 116 227 ASP 117 228 GLU 118 229 ALA 119 230 GLU 120 231 LYS 121 232 TYR 122 233 LYS 123 234 LEU 124 235 VAL 125 236 LEU 126 237 GLY 127 238 ALA 128 239 PHE 129 240 VAL 130 241 GLY 131 242 GLY 132 243 SER 133 244 ALA 134 245 GLY 135 246 ASN 136 247 SER 137 248 LEU 138 249 THR 139 250 GLY 140 251 HIS 141 252 ASN 142 253 ASN 143 254 ASN 144 255 PHE 145 256 PHE 146 257 SER 147 258 THR 148 259 LYS 149 260 ASP 150 261 GLN 151 262 ASP 152 263 ASN 153 264 ASP 154 265 VAL 155 266 SER 156 267 SER 157 268 SER 158 269 ASN 159 270 CYS 160 271 ALA 161 272 GLU 162 273 LYS 163 274 PHE 164 275 GLN 165 276 GLY 166 277 ALA 167 278 TRP 168 279 TRP 169 280 TYR 170 281 ALA 171 282 ASP 172 283 CYS 173 284 HIS 174 285 ALA 175 286 SER 176 287 ASN 177 288 LEU 178 289 ASN 179 290 GLY 180 291 LEU 181 292 TYR 182 293 LEU 183 294 MET 184 295 GLY 185 296 PRO 186 297 HIS 187 298 GLU 188 299 SER 189 300 TYR 190 301 ALA 191 302 ASN 192 303 GLY 193 304 ILE 194 305 ASN 195 306 TRP 196 307 SER 197 308 ALA 198 309 ALA 199 310 LYS 200 311 GLY 201 312 TYR 202 313 LYS 203 314 TYR 204 315 SER 205 316 TYR 206 317 LYS 207 318 VAL 208 319 SER 209 320 GLU 210 321 MET 211 322 LYS 212 323 VAL 213 324 ARG 214 325 PRO 215 326 ALA 216 327 PHE 217 328 LEU 218 329 GLU 219 330 GLN 220 331 LYS 221 332 LEU 222 333 ILE 223 334 SER 224 335 GLU 225 336 GLU 226 337 ASP 227 338 LEU 228 339 ASN 229 340 SER 230 341 ALA 231 342 VAL 232 343 ASP 233 344 HIS 234 345 HIS 235 346 HIS 236 347 HIS 237 348 HIS 238 349 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2D39 "Trivalent Recognition Unit Of Innate Immunity System; Crystal Structure Of Human M-Ficolin Fibrinogen-Like Domain" 98.74 237 99.15 99.15 2.16e-172 PDB 2JHH "Structure Of Globular Heads Of M-Ficolin At Acidic Ph" 90.34 218 97.67 97.67 1.10e-153 PDB 2JHI "Structure Of Globular Heads Of M-Ficolin Complexed With N- Acetyl-D-Galactosamine" 90.34 218 97.21 97.67 8.22e-153 PDB 2JHK "Structure Of Globular Heads Of M-Ficolin Complexed With N- Acetyl-D-Glucosamine" 90.34 218 97.21 97.67 8.22e-153 PDB 2JHL "Structure Of Globular Heads Of M-Ficolin Complexed With Sialic Acid" 90.34 218 97.67 97.67 1.10e-153 PDB 2JHM "Structure Of Globular Heads Of M-Ficolin At Neutral Ph" 90.34 218 97.67 97.67 1.10e-153 PDB 2WNP "M-Ficolin Mutant Y271f" 90.34 217 97.67 98.14 1.18e-153 DBJ BAA12120 "ficolin [Homo sapiens]" 90.34 319 98.14 98.14 8.24e-154 DBJ BAG37382 "unnamed protein product [Homo sapiens]" 90.34 326 98.14 98.14 5.71e-154 GB AAB50706 "ficolin [Homo sapiens]" 90.34 326 97.21 97.67 2.37e-152 GB AAH20635 "Ficolin (collagen/fibrinogen domain containing) 1 [Homo sapiens]" 90.34 326 98.14 98.14 5.71e-154 GB ABM82352 "ficolin (collagen/fibrinogen domain containing) 1 [synthetic construct]" 90.34 326 98.14 98.14 5.71e-154 GB ABM85362 "ficolin (collagen/fibrinogen domain containing) 1 [synthetic construct]" 90.34 326 98.14 98.14 5.71e-154 GB AIC54383 "FCN1, partial [synthetic construct]" 90.34 326 98.14 98.14 5.71e-154 REF NP_001994 "ficolin-1 precursor [Homo sapiens]" 90.34 326 98.14 98.14 5.71e-154 REF XP_004048886 "PREDICTED: ficolin-1 [Gorilla gorilla gorilla]" 90.34 319 97.21 97.67 4.49e-152 SP O00602 "RecName: Full=Ficolin-1; AltName: Full=Collagen/fibrinogen domain-containing protein 1; AltName: Full=Ficolin-A; AltName: Full=" 90.34 326 98.14 98.14 5.71e-154 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $M-ficolin Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $M-ficolin 'recombinant technology' . Brevibacillus choshinensis HPD31-SP3 pNCMO2 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $M-ficolin . mM 0.02 0.65 '[U-13C; U-15N; U-2H]' H2O 90 % . . 'natural abundance' D2O 10 % . . [U-2H] MES 10 mM . . 'natural abundance' 'sodium chloride' 50 mM . . 'natural abundance' 'calcium chloride' 5 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY HSQC' _Sample_label $sample_1 save_ save_3D_TROSY_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY HNCACB' _Sample_label $sample_1 save_ save_3D_TROSY_HN(COCA)CB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_TROSY_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY HNCA' _Sample_label $sample_1 save_ save_3D_TROSY_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY HN(CO)CA' _Sample_label $sample_1 save_ save_3D_TROSY_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY HNCO' _Sample_label $sample_1 save_ save_3D_TROSY_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY HN(CA)CO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N TROSY HSQC' '3D TROSY HNCACB' '3D TROSY HN(COCA)CB' '3D TROSY HNCA' '3D TROSY HN(CO)CA' '3D TROSY HNCO' '3D TROSY HN(CA)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'the monomeric human M-ficolin fibrinogen-like domain' _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 1 115 4 PRO C C 176.944 0.2 1 2 115 4 PRO CA C 62.76 0.2 1 3 115 4 PRO CB C 32.08 0.2 1 4 116 5 ARG H H 9.987 0.01 1 5 116 5 ARG C C 175.706 0.2 1 6 116 5 ARG CA C 54.771 0.2 1 7 116 5 ARG CB C 30.985 0.2 1 8 116 5 ARG N N 121.949 0.1 1 9 117 6 ASN H H 7.421 0.01 1 10 117 6 ASN C C 174.721 0.2 1 11 117 6 ASN CA C 52.485 0.2 1 12 117 6 ASN CB C 37.91 0.2 1 13 117 6 ASN N N 107.037 0.1 1 14 118 7 CYS H H 7.161 0.01 1 15 118 7 CYS C C 174.667 0.2 1 16 118 7 CYS CA C 59.664 0.2 1 17 118 7 CYS CB C 38.93 0.2 1 18 118 7 CYS N N 114.284 0.1 1 19 119 8 LYS H H 8.113 0.01 1 20 119 8 LYS C C 177.138 0.2 1 21 119 8 LYS CA C 58.646 0.2 1 22 119 8 LYS CB C 30.281 0.2 1 23 119 8 LYS N N 127.891 0.1 1 24 120 9 ASP H H 8.147 0.01 1 25 120 9 ASP C C 179.33 0.2 1 26 120 9 ASP CA C 56.897 0.2 1 27 120 9 ASP CB C 40.63 0.2 1 28 120 9 ASP N N 120.558 0.1 1 29 121 10 LEU H H 6.759 0.01 1 30 121 10 LEU C C 178.329 0.2 1 31 121 10 LEU CA C 57.576 0.2 1 32 121 10 LEU CB C 39.965 0.2 1 33 121 10 LEU N N 116.51 0.1 1 34 122 11 LEU H H 7.903 0.01 1 35 122 11 LEU C C 181.275 0.2 1 36 122 11 LEU CA C 57.938 0.2 1 37 122 11 LEU CB C 40.733 0.2 1 38 122 11 LEU N N 126.08 0.1 1 39 123 12 ASP H H 8.525 0.01 1 40 123 12 ASP C C 177.836 0.2 1 41 123 12 ASP CA C 56.464 0.2 1 42 123 12 ASP CB C 39.49 0.2 1 43 123 12 ASP N N 120.605 0.1 1 44 124 13 ARG H H 7.497 0.01 1 45 124 13 ARG C C 176.086 0.2 1 46 124 13 ARG CA C 55.546 0.2 1 47 124 13 ARG CB C 29.9 0.2 1 48 124 13 ARG N N 118.258 0.1 1 49 125 14 GLY H H 7.828 0.01 1 50 125 14 GLY C C 174.595 0.2 1 51 125 14 GLY CA C 45.047 0.2 1 52 125 14 GLY N N 107.172 0.1 1 53 126 15 TYR H H 8.008 0.01 1 54 126 15 TYR C C 174.213 0.2 1 55 126 15 TYR CA C 57.614 0.2 1 56 126 15 TYR CB C 34.994 0.2 1 57 126 15 TYR N N 122.873 0.1 1 58 127 16 SER H H 7.628 0.01 1 59 127 16 SER C C 174.555 0.2 1 60 127 16 SER CA C 57.627 0.2 1 61 127 16 SER CB C 64.002 0.2 1 62 127 16 SER N N 114.002 0.1 1 63 128 17 SER H H 8.083 0.01 1 64 128 17 SER C C 174.457 0.2 1 65 128 17 SER CA C 57.003 0.2 1 66 128 17 SER CB C 63.809 0.2 1 67 128 17 SER N N 117.39 0.1 1 68 129 18 SER H H 9.163 0.01 1 69 129 18 SER C C 173.376 0.2 1 70 129 18 SER CA C 60.253 0.2 1 71 129 18 SER CB C 63.233 0.2 1 72 129 18 SER N N 123.829 0.1 1 73 130 19 GLY H H 8.22 0.01 1 74 130 19 GLY C C 172.427 0.2 1 75 130 19 GLY CA C 43.685 0.2 1 76 130 19 GLY N N 110.312 0.1 1 77 131 20 TRP H H 8.625 0.01 1 78 131 20 TRP C C 176.735 0.2 1 79 131 20 TRP CA C 56.992 0.2 1 80 131 20 TRP CB C 28.226 0.2 1 81 131 20 TRP N N 124.756 0.1 1 82 132 21 HIS H H 9.77 0.01 1 83 132 21 HIS C C 173.863 0.2 1 84 132 21 HIS CA C 55.246 0.2 1 85 132 21 HIS CB C 36.935 0.2 1 86 132 21 HIS N N 124.84 0.1 1 87 133 22 THR H H 8.521 0.01 1 88 133 22 THR C C 173.904 0.2 1 89 133 22 THR CA C 63.276 0.2 1 90 133 22 THR CB C 69.257 0.2 1 91 133 22 THR N N 118.217 0.1 1 92 134 23 ILE H H 8.648 0.01 1 93 134 23 ILE C C 172.899 0.2 1 94 134 23 ILE CA C 58.275 0.2 1 95 134 23 ILE CB C 40.968 0.2 1 96 134 23 ILE N N 120.268 0.1 1 97 135 24 TYR H H 8.404 0.01 1 98 135 24 TYR C C 176.643 0.2 1 99 135 24 TYR CA C 57.228 0.2 1 100 135 24 TYR CB C 39.541 0.2 1 101 135 24 TYR N N 116.934 0.1 1 102 136 25 LEU H H 8.668 0.01 1 103 136 25 LEU C C 176.733 0.2 1 104 136 25 LEU CA C 53.996 0.2 1 105 136 25 LEU CB C 39.366 0.2 1 106 136 25 LEU N N 125.305 0.1 1 107 141 30 PRO C C 176.435 0.2 1 108 141 30 PRO CA C 61.225 0.2 1 109 141 30 PRO CB C 31.309 0.2 1 110 142 31 LEU H H 8.941 0.01 1 111 142 31 LEU C C 174.469 0.2 1 112 142 31 LEU CA C 53.902 0.2 1 113 142 31 LEU CB C 45.176 0.2 1 114 142 31 LEU N N 125.087 0.1 1 115 143 32 THR H H 8.285 0.01 1 116 143 32 THR C C 173.466 0.2 1 117 143 32 THR CA C 62.234 0.2 1 118 143 32 THR CB C 68.246 0.2 1 119 143 32 THR N N 124.867 0.1 1 120 144 33 VAL H H 9.101 0.01 1 121 144 33 VAL C C 172.816 0.2 1 122 144 33 VAL CA C 58.337 0.2 1 123 144 33 VAL CB C 35.42 0.2 1 124 144 33 VAL N N 119.231 0.1 1 125 145 34 LEU H H 8.037 0.01 1 126 145 34 LEU C C 175.048 0.2 1 127 145 34 LEU CA C 52.885 0.2 1 128 145 34 LEU CB C 40.504 0.2 1 129 145 34 LEU N N 124.262 0.1 1 130 146 35 CYS H H 8.706 0.01 1 131 146 35 CYS C C 175.657 0.2 1 132 146 35 CYS CA C 50.432 0.2 1 133 146 35 CYS CB C 36.964 0.2 1 134 146 35 CYS N N 123.043 0.1 1 135 147 36 ASP H H 9.14 0.01 1 136 147 36 ASP C C 176.948 0.2 1 137 147 36 ASP CA C 52.184 0.2 1 138 147 36 ASP CB C 40.486 0.2 1 139 147 36 ASP N N 123.393 0.1 1 140 148 37 MET H H 9.135 0.01 1 141 148 37 MET C C 174.258 0.2 1 142 148 37 MET CA C 54.025 0.2 1 143 148 37 MET CB C 31.358 0.2 1 144 148 37 MET N N 121.738 0.1 1 145 149 38 ASP H H 8.524 0.01 1 146 149 38 ASP C C 176.346 0.2 1 147 149 38 ASP CA C 55.633 0.2 1 148 149 38 ASP CB C 44.291 0.2 1 149 149 38 ASP N N 120.086 0.1 1 150 150 39 THR H H 8.629 0.01 1 151 150 39 THR C C 176.657 0.2 1 152 150 39 THR CA C 63.492 0.2 1 153 150 39 THR CB C 67.385 0.2 1 154 150 39 THR N N 121.038 0.1 1 155 151 40 ASP C C 175.455 0.2 1 156 151 40 ASP CA C 54.171 0.2 1 157 151 40 ASP CB C 40.797 0.2 1 158 152 41 GLY H H 8.52 0.01 1 159 152 41 GLY C C 174.98 0.2 1 160 152 41 GLY CA C 45.135 0.2 1 161 152 41 GLY N N 107.916 0.1 1 162 153 42 GLY H H 7.986 0.01 1 163 153 42 GLY C C 172.124 0.2 1 164 153 42 GLY CA C 44.241 0.2 1 165 153 42 GLY N N 105.034 0.1 1 166 154 43 GLY H H 7.002 0.01 1 167 154 43 GLY C C 172.107 0.2 1 168 154 43 GLY CA C 45.106 0.2 1 169 154 43 GLY N N 104.927 0.1 1 170 155 44 TRP H H 7.739 0.01 1 171 155 44 TRP C C 176.106 0.2 1 172 155 44 TRP CA C 55.289 0.2 1 173 155 44 TRP CB C 31.19 0.2 1 174 155 44 TRP N N 120.007 0.1 1 175 156 45 THR H H 9.948 0.01 1 176 156 45 THR C C 174.526 0.2 1 177 156 45 THR CA C 62.683 0.2 1 178 156 45 THR CB C 69.038 0.2 1 179 156 45 THR N N 123.405 0.1 1 180 157 46 VAL H H 9.455 0.01 1 181 157 46 VAL C C 174.685 0.2 1 182 157 46 VAL CA C 62.388 0.2 1 183 157 46 VAL CB C 31.211 0.2 1 184 157 46 VAL N N 131.138 0.1 1 185 158 47 PHE H H 8.835 0.01 1 186 158 47 PHE C C 172.244 0.2 1 187 158 47 PHE CA C 55.193 0.2 1 188 158 47 PHE CB C 41.068 0.2 1 189 158 47 PHE N N 121.566 0.1 1 190 159 48 GLN H H 7.272 0.01 1 191 159 48 GLN C C 172.965 0.2 1 192 159 48 GLN CA C 56.403 0.2 1 193 159 48 GLN CB C 29.669 0.2 1 194 159 48 GLN N N 126.197 0.1 1 195 160 49 ARG H H 7.739 0.01 1 196 160 49 ARG C C 174.257 0.2 1 197 160 49 ARG CA C 55.85 0.2 1 198 160 49 ARG CB C 34.708 0.2 1 199 160 49 ARG N N 124.033 0.1 1 200 161 50 ARG H H 9.299 0.01 1 201 161 50 ARG C C 175.228 0.2 1 202 161 50 ARG CA C 52.027 0.2 1 203 161 50 ARG CB C 29.553 0.2 1 204 161 50 ARG N N 123.456 0.1 1 205 162 51 MET H H 11.512 0.01 1 206 162 51 MET C C 173.489 0.2 1 207 162 51 MET CA C 57.825 0.2 1 208 162 51 MET CB C 34.35 0.2 1 209 162 51 MET N N 117.596 0.1 1 210 163 52 ASP C C 176.557 0.2 1 211 163 52 ASP CA C 54.537 0.2 1 212 163 52 ASP CB C 40.672 0.2 1 213 164 53 GLY H H 8.803 0.01 1 214 164 53 GLY C C 175.559 0.2 1 215 164 53 GLY CA C 46.991 0.2 1 216 164 53 GLY N N 113.876 0.1 1 217 165 54 SER H H 8.168 0.01 1 218 165 54 SER C C 175.614 0.2 1 219 165 54 SER CA C 60.431 0.2 1 220 165 54 SER CB C 62.794 0.2 1 221 165 54 SER N N 117.684 0.1 1 222 166 55 VAL H H 8.375 0.01 1 223 166 55 VAL C C 175.191 0.2 1 224 166 55 VAL CA C 61.515 0.2 1 225 166 55 VAL CB C 33.19 0.2 1 226 166 55 VAL N N 125.18 0.1 1 227 167 56 ASP H H 8.725 0.01 1 228 167 56 ASP C C 176.12 0.2 1 229 167 56 ASP CA C 54.143 0.2 1 230 167 56 ASP CB C 40.489 0.2 1 231 167 56 ASP N N 128.389 0.1 1 232 168 57 PHE H H 9.235 0.01 1 233 168 57 PHE C C 177.956 0.2 1 234 168 57 PHE CA C 58.182 0.2 1 235 168 57 PHE CB C 39.493 0.2 1 236 168 57 PHE N N 129.308 0.1 1 237 169 58 TYR H H 9.175 0.01 1 238 169 58 TYR C C 175.737 0.2 1 239 169 58 TYR CA C 55.877 0.2 1 240 169 58 TYR CB C 34.127 0.2 1 241 169 58 TYR N N 132.36 0.1 1 242 170 59 ARG H H 7.449 0.01 1 243 170 59 ARG C C 173.754 0.2 1 244 170 59 ARG CA C 53.001 0.2 1 245 170 59 ARG CB C 32.007 0.2 1 246 170 59 ARG N N 121.085 0.1 1 247 171 60 ASP H H 7.605 0.01 1 248 171 60 ASP C C 175.32 0.2 1 249 171 60 ASP CA C 52.3 0.2 1 250 171 60 ASP CB C 42.259 0.2 1 251 171 60 ASP N N 117.673 0.1 1 252 172 61 TRP H H 9.759 0.01 1 253 172 61 TRP C C 178.767 0.2 1 254 172 61 TRP CA C 61.46 0.2 1 255 172 61 TRP CB C 29.189 0.2 1 256 172 61 TRP N N 122.584 0.1 1 257 173 62 ALA H H 8.814 0.01 1 258 173 62 ALA C C 180.165 0.2 1 259 173 62 ALA CA C 55.086 0.2 1 260 173 62 ALA CB C 17.678 0.2 1 261 173 62 ALA N N 121.507 0.1 1 262 174 63 ALA H H 8.056 0.01 1 263 174 63 ALA C C 180.718 0.2 1 264 174 63 ALA CA C 54.8 0.2 1 265 174 63 ALA CB C 18.242 0.2 1 266 174 63 ALA N N 122.564 0.1 1 267 175 64 TYR H H 8.182 0.01 1 268 175 64 TYR C C 178.283 0.2 1 269 175 64 TYR CA C 63.459 0.2 1 270 175 64 TYR CB C 37.744 0.2 1 271 175 64 TYR N N 116.58 0.1 1 272 176 65 LYS H H 8.541 0.01 1 273 176 65 LYS C C 176.626 0.2 1 274 176 65 LYS CA C 60.022 0.2 1 275 176 65 LYS CB C 32.172 0.2 1 276 176 65 LYS N N 123.84 0.1 1 277 177 66 GLN H H 7.633 0.01 1 278 177 66 GLN C C 177.396 0.2 1 279 177 66 GLN CA C 57.245 0.2 1 280 177 66 GLN CB C 30.01 0.2 1 281 177 66 GLN N N 116.436 0.1 1 282 178 67 GLY H H 8.458 0.01 1 283 178 67 GLY C C 171.584 0.2 1 284 178 67 GLY CA C 43.785 0.2 1 285 178 67 GLY N N 109.005 0.1 1 286 179 68 PHE H H 8.163 0.01 1 287 179 68 PHE C C 173.663 0.2 1 288 179 68 PHE CA C 56.543 0.2 1 289 179 68 PHE CB C 39.509 0.2 1 290 179 68 PHE N N 114.881 0.1 1 291 180 69 GLY H H 8.646 0.01 1 292 180 69 GLY C C 173.261 0.2 1 293 180 69 GLY CA C 43.878 0.2 1 294 180 69 GLY N N 107.191 0.1 1 295 181 70 SER H H 8.51 0.01 1 296 181 70 SER C C 174.795 0.2 1 297 181 70 SER CA C 56.508 0.2 1 298 181 70 SER CB C 65.12 0.2 1 299 181 70 SER N N 114.414 0.1 1 300 182 71 GLN C C 176.53 0.2 1 301 182 71 GLN CA C 56.915 0.2 1 302 182 71 GLN CB C 26.516 0.2 1 303 183 72 LEU H H 7.735 0.01 1 304 183 72 LEU C C 178.164 0.2 1 305 183 72 LEU CA C 54.818 0.2 1 306 183 72 LEU CB C 40.731 0.2 1 307 183 72 LEU N N 116.997 0.1 1 308 184 73 GLY H H 7.592 0.01 1 309 184 73 GLY C C 173.523 0.2 1 310 184 73 GLY CA C 46.298 0.2 1 311 184 73 GLY N N 107.177 0.1 1 312 185 74 GLU C C 175.921 0.2 1 313 185 74 GLU CA C 56.05 0.2 1 314 185 74 GLU CB C 31.991 0.2 1 315 186 75 PHE H H 8.24 0.01 1 316 186 75 PHE C C 172.342 0.2 1 317 186 75 PHE CA C 57.451 0.2 1 318 186 75 PHE CB C 40.151 0.2 1 319 186 75 PHE N N 112.454 0.1 1 320 187 76 TRP H H 7.928 0.01 1 321 187 76 TRP C C 177.269 0.2 1 322 187 76 TRP CA C 55.436 0.2 1 323 187 76 TRP CB C 32.197 0.2 1 324 187 76 TRP N N 118.638 0.1 1 325 188 77 LEU H H 8.809 0.01 1 326 188 77 LEU C C 175.515 0.2 1 327 188 77 LEU CA C 56.979 0.2 1 328 188 77 LEU CB C 43.57 0.2 1 329 188 77 LEU N N 126.808 0.1 1 330 189 78 GLY H H 5.613 0.01 1 331 189 78 GLY C C 173.591 0.2 1 332 189 78 GLY CA C 42.505 0.2 1 333 189 78 GLY N N 103.466 0.1 1 334 190 79 ASN H H 9.479 0.01 1 335 190 79 ASN C C 176.927 0.2 1 336 190 79 ASN CA C 56.211 0.2 1 337 190 79 ASN CB C 33.543 0.2 1 338 190 79 ASN N N 127.613 0.1 1 339 191 80 ASP H H 7.532 0.01 1 340 191 80 ASP C C 179.444 0.2 1 341 191 80 ASP CA C 58.544 0.2 1 342 191 80 ASP CB C 38.73 0.2 1 343 191 80 ASP N N 119.713 0.1 1 344 192 81 ASN H H 8.343 0.01 1 345 192 81 ASN C C 176.632 0.2 1 346 192 81 ASN CA C 55.481 0.2 1 347 192 81 ASN CB C 37.802 0.2 1 348 192 81 ASN N N 121.908 0.1 1 349 193 82 ILE H H 8.766 0.01 1 350 193 82 ILE C C 179.285 0.2 1 351 193 82 ILE CA C 65.671 0.2 1 352 193 82 ILE CB C 37.713 0.2 1 353 193 82 ILE N N 121.404 0.1 1 354 194 83 HIS H H 8.608 0.01 1 355 194 83 HIS C C 176.174 0.2 1 356 194 83 HIS CA C 59.771 0.2 1 357 194 83 HIS CB C 26.952 0.2 1 358 194 83 HIS N N 121.329 0.1 1 359 195 84 ALA H H 7.938 0.01 1 360 195 84 ALA C C 180.612 0.2 1 361 195 84 ALA CA C 54.967 0.2 1 362 195 84 ALA CB C 18.238 0.2 1 363 195 84 ALA N N 120.921 0.1 1 364 196 85 LEU H H 8.115 0.01 1 365 196 85 LEU C C 178.962 0.2 1 366 196 85 LEU CA C 56.785 0.2 1 367 196 85 LEU CB C 42.855 0.2 1 368 196 85 LEU N N 115.681 0.1 1 369 197 86 THR H H 7.599 0.01 1 370 197 86 THR C C 176.028 0.2 1 371 197 86 THR CA C 61.535 0.2 1 372 197 86 THR CB C 70.417 0.2 1 373 197 86 THR N N 106.525 0.1 1 374 198 87 ALA H H 7.587 0.01 1 375 198 87 ALA C C 177.96 0.2 1 376 198 87 ALA CA C 54.452 0.2 1 377 198 87 ALA CB C 18.085 0.2 1 378 198 87 ALA N N 125.349 0.1 1 379 199 88 GLN H H 7.794 0.01 1 380 199 88 GLN C C 176.647 0.2 1 381 199 88 GLN CA C 55.128 0.2 1 382 199 88 GLN CB C 28.867 0.2 1 383 199 88 GLN N N 115.648 0.1 1 384 200 89 GLY H H 8.263 0.01 1 385 200 89 GLY C C 173.548 0.2 1 386 200 89 GLY CA C 45.361 0.2 1 387 200 89 GLY N N 110.454 0.1 1 388 201 90 SER H H 8.311 0.01 1 389 201 90 SER C C 174.843 0.2 1 390 201 90 SER CA C 57.712 0.2 1 391 201 90 SER CB C 63.922 0.2 1 392 201 90 SER N N 116.683 0.1 1 393 202 91 SER H H 9.113 0.01 1 394 202 91 SER C C 172.732 0.2 1 395 202 91 SER CA C 58.774 0.2 1 396 202 91 SER CB C 64.831 0.2 1 397 202 91 SER N N 123.427 0.1 1 398 203 92 GLU H H 9.109 0.01 1 399 203 92 GLU C C 175.095 0.2 1 400 203 92 GLU CA C 55.031 0.2 1 401 203 92 GLU CB C 31.502 0.2 1 402 203 92 GLU N N 122.291 0.1 1 403 204 93 LEU H H 7.774 0.01 1 404 204 93 LEU C C 174.441 0.2 1 405 204 93 LEU CA C 52.841 0.2 1 406 204 93 LEU CB C 46.069 0.2 1 407 204 93 LEU N N 120.367 0.1 1 408 205 94 ARG H H 9.076 0.01 1 409 205 94 ARG C C 172.934 0.2 1 410 205 94 ARG CA C 54.029 0.2 1 411 205 94 ARG CB C 33.041 0.2 1 412 205 94 ARG N N 126.551 0.1 1 413 206 95 VAL H H 8.96 0.01 1 414 206 95 VAL C C 174.349 0.2 1 415 206 95 VAL CA C 60.197 0.2 1 416 206 95 VAL CB C 33.574 0.2 1 417 206 95 VAL N N 126.405 0.1 1 418 207 96 ASP H H 8.802 0.01 1 419 207 96 ASP C C 173.624 0.2 1 420 207 96 ASP CA C 54.636 0.2 1 421 207 96 ASP CB C 46.209 0.2 1 422 207 96 ASP N N 126.841 0.1 1 423 208 97 LEU H H 8.44 0.01 1 424 208 97 LEU C C 176.506 0.2 1 425 208 97 LEU CA C 52.646 0.2 1 426 208 97 LEU CB C 45.169 0.2 1 427 208 97 LEU N N 120.986 0.1 1 428 209 98 VAL H H 8.429 0.01 1 429 209 98 VAL C C 177.24 0.2 1 430 209 98 VAL CA C 60.457 0.2 1 431 209 98 VAL CB C 34.001 0.2 1 432 209 98 VAL N N 120.235 0.1 1 433 210 99 ASP H H 8.614 0.01 1 434 210 99 ASP C C 175.984 0.2 1 435 210 99 ASP CA C 52.994 0.2 1 436 210 99 ASP CB C 40.637 0.2 1 437 210 99 ASP N N 128.251 0.1 1 438 211 100 PHE H H 8.424 0.01 1 439 211 100 PHE C C 175.952 0.2 1 440 211 100 PHE CA C 61.721 0.2 1 441 211 100 PHE CB C 37.598 0.2 1 442 211 100 PHE N N 113.796 0.1 1 443 212 101 GLU H H 8.263 0.01 1 444 212 101 GLU C C 176.094 0.2 1 445 212 101 GLU CA C 56.45 0.2 1 446 212 101 GLU CB C 29.576 0.2 1 447 212 101 GLU N N 120.754 0.1 1 448 213 102 GLY H H 7.582 0.01 1 449 213 102 GLY C C 174.624 0.2 1 450 213 102 GLY CA C 44.955 0.2 1 451 213 102 GLY N N 107.802 0.1 1 452 214 103 ASN H H 9.015 0.01 1 453 214 103 ASN C C 174.106 0.2 1 454 214 103 ASN CA C 53.507 0.2 1 455 214 103 ASN CB C 38.138 0.2 1 456 214 103 ASN N N 121.445 0.1 1 457 215 104 HIS H H 9.04 0.01 1 458 215 104 HIS C C 175.261 0.2 1 459 215 104 HIS CA C 54.062 0.2 1 460 215 104 HIS CB C 31.066 0.2 1 461 215 104 HIS N N 125.466 0.1 1 462 216 105 GLN H H 9.199 0.01 1 463 216 105 GLN C C 173.04 0.2 1 464 216 105 GLN CA C 54.127 0.2 1 465 216 105 GLN CB C 33.392 0.2 1 466 216 105 GLN N N 125.197 0.1 1 467 217 106 PHE H H 7.198 0.01 1 468 217 106 PHE C C 172.917 0.2 1 469 217 106 PHE CA C 54.946 0.2 1 470 217 106 PHE CB C 43.719 0.2 1 471 217 106 PHE N N 115.745 0.1 1 472 218 107 ALA H H 8.828 0.01 1 473 218 107 ALA C C 175.473 0.2 1 474 218 107 ALA CA C 51.406 0.2 1 475 218 107 ALA CB C 24.443 0.2 1 476 218 107 ALA N N 123.312 0.1 1 477 219 108 LYS H H 8.107 0.01 1 478 219 108 LYS C C 174.108 0.2 1 479 219 108 LYS CA C 55.15 0.2 1 480 219 108 LYS CB C 35.657 0.2 1 481 219 108 LYS N N 120.994 0.1 1 482 220 109 TYR H H 9.227 0.01 1 483 220 109 TYR C C 176.95 0.2 1 484 220 109 TYR CA C 56.825 0.2 1 485 220 109 TYR CB C 42.004 0.2 1 486 220 109 TYR N N 120.997 0.1 1 487 221 110 LYS H H 9.481 0.01 1 488 221 110 LYS C C 175.442 0.2 1 489 221 110 LYS CA C 58.154 0.2 1 490 221 110 LYS CB C 33.883 0.2 1 491 221 110 LYS N N 122.343 0.1 1 492 222 111 SER H H 7.056 0.01 1 493 222 111 SER C C 174.276 0.2 1 494 222 111 SER CA C 56.698 0.2 1 495 222 111 SER CB C 65.021 0.2 1 496 222 111 SER N N 104.519 0.1 1 497 223 112 PHE H H 8.456 0.01 1 498 223 112 PHE C C 172.252 0.2 1 499 223 112 PHE CA C 57.836 0.2 1 500 223 112 PHE CB C 42.725 0.2 1 501 223 112 PHE N N 125.344 0.1 1 502 224 113 LYS H H 8.128 0.01 1 503 224 113 LYS C C 172.365 0.2 1 504 224 113 LYS CA C 54.83 0.2 1 505 224 113 LYS CB C 35.273 0.2 1 506 224 113 LYS N N 128.466 0.1 1 507 225 114 VAL H H 6.723 0.01 1 508 225 114 VAL C C 176.445 0.2 1 509 225 114 VAL CA C 59.132 0.2 1 510 225 114 VAL CB C 34.001 0.2 1 511 225 114 VAL N N 118.5 0.1 1 512 226 115 ALA H H 8.926 0.01 1 513 226 115 ALA C C 173.061 0.2 1 514 226 115 ALA CA C 51.725 0.2 1 515 226 115 ALA CB C 20.491 0.2 1 516 226 115 ALA N N 130.153 0.1 1 517 227 116 ASP H H 7.361 0.01 1 518 227 116 ASP C C 177 0.2 1 519 227 116 ASP CA C 51.99 0.2 1 520 227 116 ASP CB C 40.552 0.2 1 521 227 116 ASP N N 113.815 0.1 1 522 228 117 GLU H H 8.183 0.01 1 523 228 117 GLU C C 180.21 0.2 1 524 228 117 GLU CA C 59.343 0.2 1 525 228 117 GLU CB C 28.47 0.2 1 526 228 117 GLU N N 121.261 0.1 1 527 229 118 ALA H H 7.975 0.01 1 528 229 118 ALA C C 179.381 0.2 1 529 229 118 ALA CA C 54.656 0.2 1 530 229 118 ALA CB C 17.1 0.2 1 531 229 118 ALA N N 124.286 0.1 1 532 230 119 GLU H H 7.136 0.01 1 533 230 119 GLU C C 173.607 0.2 1 534 230 119 GLU CA C 54.905 0.2 1 535 230 119 GLU CB C 29.696 0.2 1 536 230 119 GLU N N 118.753 0.1 1 537 231 120 LYS H H 7.961 0.01 1 538 231 120 LYS C C 173.863 0.2 1 539 231 120 LYS CA C 56.46 0.2 1 540 231 120 LYS CB C 29.169 0.2 1 541 231 120 LYS N N 114.352 0.1 1 542 232 121 TYR H H 7.934 0.01 1 543 232 121 TYR C C 175.028 0.2 1 544 232 121 TYR CA C 56.696 0.2 1 545 232 121 TYR CB C 34.311 0.2 1 546 232 121 TYR N N 110.603 0.1 1 547 233 122 LYS H H 7.208 0.01 1 548 233 122 LYS C C 174.757 0.2 1 549 233 122 LYS CA C 57.112 0.2 1 550 233 122 LYS CB C 33 0.2 1 551 233 122 LYS N N 116.692 0.1 1 552 234 123 LEU H H 7.692 0.01 1 553 234 123 LEU C C 175.402 0.2 1 554 234 123 LEU CA C 54.391 0.2 1 555 234 123 LEU CB C 40.497 0.2 1 556 234 123 LEU N N 126.583 0.1 1 557 235 124 VAL H H 8.325 0.01 1 558 235 124 VAL C C 174.972 0.2 1 559 235 124 VAL CA C 61.773 0.2 1 560 235 124 VAL CB C 31.296 0.2 1 561 235 124 VAL N N 128.41 0.1 1 562 236 125 LEU H H 9.002 0.01 1 563 236 125 LEU C C 176.604 0.2 1 564 236 125 LEU CA C 53.444 0.2 1 565 236 125 LEU CB C 46.53 0.2 1 566 236 125 LEU N N 132.308 0.1 1 567 237 126 GLY H H 8.536 0.01 1 568 237 126 GLY C C 172.962 0.2 1 569 237 126 GLY CA C 43.169 0.2 1 570 237 126 GLY N N 115.662 0.1 1 571 238 127 ALA H H 8.371 0.01 1 572 238 127 ALA C C 177.815 0.2 1 573 238 127 ALA CA C 52.638 0.2 1 574 238 127 ALA CB C 18.938 0.2 1 575 238 127 ALA N N 120.311 0.1 1 576 239 128 PHE H H 8.686 0.01 1 577 239 128 PHE C C 176.061 0.2 1 578 239 128 PHE CA C 57.759 0.2 1 579 239 128 PHE CB C 38.899 0.2 1 580 239 128 PHE N N 121.636 0.1 1 581 240 129 VAL H H 8.406 0.01 1 582 240 129 VAL C C 175.501 0.2 1 583 240 129 VAL CA C 61.909 0.2 1 584 240 129 VAL CB C 31.662 0.2 1 585 240 129 VAL N N 127.431 0.1 1 586 241 130 GLY H H 5.366 0.01 1 587 241 130 GLY C C 170.64 0.2 1 588 241 130 GLY CA C 44.228 0.2 1 589 241 130 GLY N N 105.391 0.1 1 590 242 131 GLY H H 7.805 0.01 1 591 242 131 GLY C C 175.87 0.2 1 592 242 131 GLY CA C 44.754 0.2 1 593 242 131 GLY N N 106.171 0.1 1 594 243 132 SER H H 6.072 0.01 1 595 243 132 SER C C 175.878 0.2 1 596 243 132 SER CA C 58.342 0.2 1 597 243 132 SER CB C 62.779 0.2 1 598 243 132 SER N N 119.116 0.1 1 599 244 133 ALA H H 8.879 0.01 1 600 244 133 ALA C C 176.866 0.2 1 601 244 133 ALA CA C 51.795 0.2 1 602 244 133 ALA CB C 17.588 0.2 1 603 244 133 ALA N N 122.333 0.1 1 604 245 134 GLY H H 7.235 0.01 1 605 245 134 GLY C C 172.397 0.2 1 606 245 134 GLY CA C 44.329 0.2 1 607 245 134 GLY N N 100.098 0.1 1 608 246 135 ASN H H 8.225 0.01 1 609 246 135 ASN C C 175.715 0.2 1 610 246 135 ASN CA C 51.349 0.2 1 611 246 135 ASN CB C 37.382 0.2 1 612 246 135 ASN N N 114.948 0.1 1 613 247 136 SER H H 6.082 0.01 1 614 247 136 SER C C 171.939 0.2 1 615 247 136 SER CA C 56.76 0.2 1 616 247 136 SER CB C 63.114 0.2 1 617 247 136 SER N N 117.767 0.1 1 618 248 137 LEU H H 7.609 0.01 1 619 248 137 LEU C C 177.272 0.2 1 620 248 137 LEU CA C 53.827 0.2 1 621 248 137 LEU CB C 45.755 0.2 1 622 248 137 LEU N N 119.722 0.1 1 623 250 139 GLY C C 173.734 0.2 1 624 250 139 GLY CA C 45.694 0.2 1 625 251 140 HIS H H 7.994 0.01 1 626 251 140 HIS C C 175.298 0.2 1 627 251 140 HIS CA C 56.987 0.2 1 628 251 140 HIS CB C 29.111 0.2 1 629 251 140 HIS N N 117.695 0.1 1 630 252 141 ASN H H 7.749 0.01 1 631 252 141 ASN C C 174.947 0.2 1 632 252 141 ASN CA C 54.939 0.2 1 633 252 141 ASN CB C 38.804 0.2 1 634 252 141 ASN N N 119.841 0.1 1 635 253 142 ASN H H 8.687 0.01 1 636 253 142 ASN C C 173.803 0.2 1 637 253 142 ASN CA C 54.754 0.2 1 638 253 142 ASN CB C 37.582 0.2 1 639 253 142 ASN N N 120.675 0.1 1 640 254 143 ASN H H 7.574 0.01 1 641 254 143 ASN C C 175.378 0.2 1 642 254 143 ASN CA C 54.118 0.2 1 643 254 143 ASN CB C 40.752 0.2 1 644 254 143 ASN N N 115.3 0.1 1 645 255 144 PHE H H 8.527 0.01 1 646 255 144 PHE C C 175.579 0.2 1 647 255 144 PHE CA C 56.518 0.2 1 648 255 144 PHE CB C 39.689 0.2 1 649 255 144 PHE N N 120.604 0.1 1 650 256 145 PHE H H 9.519 0.01 1 651 256 145 PHE C C 173.914 0.2 1 652 256 145 PHE CA C 60.165 0.2 1 653 256 145 PHE CB C 40.402 0.2 1 654 256 145 PHE N N 126.005 0.1 1 655 257 146 SER H H 7.846 0.01 1 656 257 146 SER C C 172.289 0.2 1 657 257 146 SER CA C 60.387 0.2 1 658 257 146 SER CB C 68.691 0.2 1 659 257 146 SER N N 122.136 0.1 1 660 258 147 THR H H 8.211 0.01 1 661 258 147 THR C C 177.688 0.2 1 662 258 147 THR CA C 59.662 0.2 1 663 258 147 THR CB C 72.591 0.2 1 664 258 147 THR N N 109.857 0.1 1 665 259 148 LYS H H 10.08 0.01 1 666 259 148 LYS C C 175.622 0.2 1 667 259 148 LYS CA C 59.437 0.2 1 668 259 148 LYS CB C 29.634 0.2 1 669 259 148 LYS N N 121.704 0.1 1 670 260 149 ASP H H 8.856 0.01 1 671 260 149 ASP C C 174.858 0.2 1 672 260 149 ASP CA C 52.65 0.2 1 673 260 149 ASP CB C 40.284 0.2 1 674 260 149 ASP N N 114.524 0.1 1 675 261 150 GLN H H 7.924 0.01 1 676 261 150 GLN C C 171.123 0.2 1 677 261 150 GLN CA C 55.71 0.2 1 678 261 150 GLN CB C 29.578 0.2 1 679 261 150 GLN N N 125.838 0.1 1 680 262 151 ASP H H 8.105 0.01 1 681 262 151 ASP C C 175.961 0.2 1 682 262 151 ASP CA C 53.371 0.2 1 683 262 151 ASP CB C 38.937 0.2 1 684 262 151 ASP N N 124.093 0.1 1 685 263 152 ASN H H 9.573 0.01 1 686 263 152 ASN C C 175.999 0.2 1 687 263 152 ASN CA C 51.853 0.2 1 688 263 152 ASN CB C 40.192 0.2 1 689 263 152 ASN N N 129.112 0.1 1 690 264 153 ASP C C 177.399 0.2 1 691 264 153 ASP CA C 54.499 0.2 1 692 264 153 ASP CB C 41.974 0.2 1 693 265 154 VAL H H 7.672 0.01 1 694 265 154 VAL C C 174.806 0.2 1 695 265 154 VAL CA C 59.774 0.2 1 696 265 154 VAL CB C 29.127 0.2 1 697 265 154 VAL N N 110.876 0.1 1 698 266 155 SER H H 9.263 0.01 1 699 266 155 SER C C 177.348 0.2 1 700 266 155 SER CA C 55.862 0.2 1 701 266 155 SER CB C 65.281 0.2 1 702 266 155 SER N N 118.134 0.1 1 703 269 158 ASN C C 174.647 0.2 1 704 269 158 ASN CA C 51.781 0.2 1 705 269 158 ASN CB C 36.401 0.2 1 706 270 159 CYS H H 8.74 0.01 1 707 270 159 CYS C C 174.915 0.2 1 708 270 159 CYS CA C 58.35 0.2 1 709 270 159 CYS CB C 37.054 0.2 1 710 270 159 CYS N N 123.19 0.1 1 711 271 160 ALA H H 9.174 0.01 1 712 271 160 ALA C C 178.607 0.2 1 713 271 160 ALA CA C 55.167 0.2 1 714 271 160 ALA CB C 17.084 0.2 1 715 271 160 ALA N N 122.839 0.1 1 716 272 161 GLU H H 6.952 0.01 1 717 272 161 GLU C C 179.653 0.2 1 718 272 161 GLU CA C 57.126 0.2 1 719 272 161 GLU CB C 30.611 0.2 1 720 272 161 GLU N N 114.92 0.1 1 721 273 162 LYS H H 8.43 0.01 1 722 273 162 LYS C C 178.079 0.2 1 723 273 162 LYS CA C 58.86 0.2 1 724 273 162 LYS CB C 32.104 0.2 1 725 273 162 LYS N N 121.262 0.1 1 726 274 163 PHE H H 8.395 0.01 1 727 274 163 PHE C C 171.716 0.2 1 728 274 163 PHE CA C 58.241 0.2 1 729 274 163 PHE CB C 36.021 0.2 1 730 274 163 PHE N N 114.689 0.1 1 731 275 164 GLN H H 7.128 0.01 1 732 275 164 GLN C C 173.477 0.2 1 733 275 164 GLN CA C 56.27 0.2 1 734 275 164 GLN CB C 27.335 0.2 1 735 275 164 GLN N N 116.06 0.1 1 736 276 165 GLY H H 8.045 0.01 1 737 276 165 GLY C C 172.101 0.2 1 738 276 165 GLY CA C 45.946 0.2 1 739 276 165 GLY N N 104.965 0.1 1 740 277 166 ALA H H 6.166 0.01 1 741 277 166 ALA C C 176.462 0.2 1 742 277 166 ALA CA C 52.328 0.2 1 743 277 166 ALA CB C 21.804 0.2 1 744 277 166 ALA N N 121.119 0.1 1 745 278 167 TRP H H 7.701 0.01 1 746 278 167 TRP C C 173.93 0.2 1 747 278 167 TRP CA C 54.372 0.2 1 748 278 167 TRP CB C 33.089 0.2 1 749 278 167 TRP N N 125.16 0.1 1 750 279 168 TRP H H 5.644 0.01 1 751 279 168 TRP C C 177.734 0.2 1 752 279 168 TRP CA C 56.696 0.2 1 753 279 168 TRP CB C 24.628 0.2 1 754 279 168 TRP N N 126.259 0.1 1 755 280 169 TYR H H 7.767 0.01 1 756 280 169 TYR C C 174.461 0.2 1 757 280 169 TYR CA C 61.84 0.2 1 758 280 169 TYR CB C 39.485 0.2 1 759 280 169 TYR N N 121.934 0.1 1 760 281 170 ALA H H 9.116 0.01 1 761 281 170 ALA C C 174.5 0.2 1 762 281 170 ALA CA C 52.52 0.2 1 763 281 170 ALA CB C 18.043 0.2 1 764 281 170 ALA N N 127.275 0.1 1 765 284 173 HIS C C 173.249 0.2 1 766 284 173 HIS CA C 56.495 0.2 1 767 285 174 ALA H H 10.545 0.01 1 768 285 174 ALA C C 177.071 0.2 1 769 285 174 ALA CA C 52.417 0.2 1 770 285 174 ALA CB C 20.423 0.2 1 771 285 174 ALA N N 123.455 0.1 1 772 286 175 SER H H 8.422 0.01 1 773 286 175 SER C C 171.794 0.2 1 774 286 175 SER CA C 55.53 0.2 1 775 286 175 SER CB C 67.117 0.2 1 776 286 175 SER N N 114.254 0.1 1 777 287 176 ASN H H 7.837 0.01 1 778 287 176 ASN C C 176.66 0.2 1 779 287 176 ASN CA C 50.772 0.2 1 780 287 176 ASN CB C 39.379 0.2 1 781 287 176 ASN N N 113.189 0.1 1 782 288 177 LEU C C 175.281 0.2 1 783 288 177 LEU CA C 57.053 0.2 1 784 288 177 LEU CB C 37.651 0.2 1 785 289 178 ASN H H 7.582 0.01 1 786 289 178 ASN C C 174.739 0.2 1 787 289 178 ASN CA C 52.381 0.2 1 788 289 178 ASN CB C 37.69 0.2 1 789 289 178 ASN N N 116.935 0.1 1 790 290 179 GLY H H 7.077 0.01 1 791 290 179 GLY C C 173.161 0.2 1 792 290 179 GLY CA C 43.373 0.2 1 793 290 179 GLY N N 103.792 0.1 1 794 291 180 LEU H H 7.82 0.01 1 795 291 180 LEU C C 176.431 0.2 1 796 291 180 LEU CA C 55.454 0.2 1 797 291 180 LEU CB C 41.529 0.2 1 798 291 180 LEU N N 117.802 0.1 1 799 292 181 TYR H H 8.918 0.01 1 800 292 181 TYR CA C 57.639 0.2 1 801 292 181 TYR CB C 36.767 0.2 1 802 292 181 TYR N N 121.509 0.1 1 803 296 185 PRO C C 176.338 0.2 1 804 296 185 PRO CA C 62.485 0.2 1 805 296 185 PRO CB C 31.303 0.2 1 806 297 186 HIS H H 7.884 0.01 1 807 297 186 HIS C C 174.413 0.2 1 808 297 186 HIS CA C 53.149 0.2 1 809 297 186 HIS CB C 31.344 0.2 1 810 297 186 HIS N N 119.683 0.1 1 811 298 187 GLU H H 8.672 0.01 1 812 298 187 GLU C C 178.362 0.2 1 813 298 187 GLU CA C 56.713 0.2 1 814 298 187 GLU CB C 30.442 0.2 1 815 298 187 GLU N N 118.674 0.1 1 816 299 188 SER H H 7.55 0.01 1 817 299 188 SER C C 174.159 0.2 1 818 299 188 SER CA C 56.798 0.2 1 819 299 188 SER CB C 62.316 0.2 1 820 299 188 SER N N 112.742 0.1 1 821 300 189 TYR H H 8.657 0.01 1 822 300 189 TYR C C 176.44 0.2 1 823 300 189 TYR CA C 58.569 0.2 1 824 300 189 TYR CB C 38.653 0.2 1 825 300 189 TYR N N 122.638 0.1 1 826 301 190 ALA H H 8.073 0.01 1 827 301 190 ALA C C 175.733 0.2 1 828 301 190 ALA CA C 53.365 0.2 1 829 301 190 ALA CB C 18.016 0.2 1 830 301 190 ALA N N 126.703 0.1 1 831 302 191 ASN H H 8.228 0.01 1 832 302 191 ASN C C 173.591 0.2 1 833 302 191 ASN CA C 51.538 0.2 1 834 302 191 ASN CB C 36.925 0.2 1 835 302 191 ASN N N 114.463 0.1 1 836 303 192 GLY H H 7.593 0.01 1 837 303 192 GLY CA C 43.984 0.2 1 838 303 192 GLY N N 107.623 0.1 1 839 304 193 ILE C C 175.321 0.2 1 840 304 193 ILE CA C 60.603 0.2 1 841 304 193 ILE CB C 34.54 0.2 1 842 305 194 ASN H H 7.054 0.01 1 843 305 194 ASN C C 174.005 0.2 1 844 305 194 ASN CA C 52.183 0.2 1 845 305 194 ASN CB C 42.654 0.2 1 846 305 194 ASN N N 122.129 0.1 1 847 306 195 TRP H H 10.026 0.01 1 848 306 195 TRP C C 176.644 0.2 1 849 306 195 TRP CA C 57.238 0.2 1 850 306 195 TRP CB C 29.971 0.2 1 851 306 195 TRP N N 127.7 0.1 1 852 307 196 SER H H 7.696 0.01 1 853 307 196 SER C C 175.499 0.2 1 854 307 196 SER CA C 62.857 0.2 1 855 307 196 SER CB C 61.129 0.2 1 856 307 196 SER N N 121.152 0.1 1 857 308 197 ALA H H 7.949 0.01 1 858 308 197 ALA C C 176.692 0.2 1 859 308 197 ALA CA C 53.388 0.2 1 860 308 197 ALA CB C 18.195 0.2 1 861 308 197 ALA N N 123.154 0.1 1 862 309 198 ALA H H 7.589 0.01 1 863 309 198 ALA C C 178.003 0.2 1 864 309 198 ALA CA C 52.18 0.2 1 865 309 198 ALA CB C 18.964 0.2 1 866 309 198 ALA N N 120.159 0.1 1 867 310 199 LYS H H 7.362 0.01 1 868 310 199 LYS C C 177.23 0.2 1 869 310 199 LYS CA C 56.133 0.2 1 870 310 199 LYS CB C 32.004 0.2 1 871 310 199 LYS N N 116.567 0.1 1 872 311 200 GLY H H 7.279 0.01 1 873 311 200 GLY C C 174.339 0.2 1 874 311 200 GLY CA C 45.063 0.2 1 875 311 200 GLY N N 104.728 0.1 1 876 312 201 TYR H H 8.877 0.01 1 877 312 201 TYR C C 174.414 0.2 1 878 312 201 TYR CA C 59.894 0.2 1 879 312 201 TYR CB C 39.21 0.2 1 880 312 201 TYR N N 117.775 0.1 1 881 313 202 LYS H H 8.263 0.01 1 882 313 202 LYS C C 175.233 0.2 1 883 313 202 LYS CA C 54.57 0.2 1 884 313 202 LYS CB C 31.127 0.2 1 885 313 202 LYS N N 117.757 0.1 1 886 314 203 TYR H H 6.172 0.01 1 887 314 203 TYR C C 173.825 0.2 1 888 314 203 TYR CA C 57.692 0.2 1 889 314 203 TYR CB C 41.174 0.2 1 890 314 203 TYR N N 118.8 0.1 1 891 315 204 SER C C 173.86 0.2 1 892 315 204 SER CA C 55.6 0.2 1 893 315 204 SER CB C 64.006 0.2 1 894 316 205 TYR H H 8.283 0.01 1 895 316 205 TYR C C 173.5 0.2 1 896 316 205 TYR CA C 62.361 0.2 1 897 316 205 TYR CB C 38.555 0.2 1 898 316 205 TYR N N 126.113 0.1 1 899 317 206 LYS H H 7.598 0.01 1 900 317 206 LYS C C 176.863 0.2 1 901 317 206 LYS CA C 56.894 0.2 1 902 317 206 LYS CB C 32.273 0.2 1 903 317 206 LYS N N 121.436 0.1 1 904 318 207 VAL H H 7.882 0.01 1 905 318 207 VAL C C 175.873 0.2 1 906 318 207 VAL CA C 59.095 0.2 1 907 318 207 VAL CB C 35.372 0.2 1 908 318 207 VAL N N 116.54 0.1 1 909 319 208 SER H H 8.234 0.01 1 910 319 208 SER C C 173.305 0.2 1 911 319 208 SER CA C 56.832 0.2 1 912 319 208 SER CB C 66.471 0.2 1 913 319 208 SER N N 119.941 0.1 1 914 320 209 GLU H H 8.837 0.01 1 915 320 209 GLU C C 175.682 0.2 1 916 320 209 GLU CA C 54.529 0.2 1 917 320 209 GLU CB C 35.718 0.2 1 918 320 209 GLU N N 122.192 0.1 1 919 321 210 MET H H 7.896 0.01 1 920 321 210 MET C C 174.328 0.2 1 921 321 210 MET CA C 54.398 0.2 1 922 321 210 MET CB C 34.81 0.2 1 923 321 210 MET N N 118.633 0.1 1 924 322 211 LYS H H 8.905 0.01 1 925 322 211 LYS C C 173.231 0.2 1 926 322 211 LYS CA C 53.998 0.2 1 927 322 211 LYS CB C 35.36 0.2 1 928 322 211 LYS N N 121.683 0.1 1 929 323 212 VAL H H 9.157 0.01 1 930 323 212 VAL C C 176.068 0.2 1 931 323 212 VAL CA C 58.108 0.2 1 932 323 212 VAL CB C 36.593 0.2 1 933 323 212 VAL N N 113.467 0.1 1 934 324 213 ARG H H 8.385 0.01 1 935 324 213 ARG C C 171.654 0.2 1 936 324 213 ARG CA C 54.243 0.2 1 937 324 213 ARG CB C 33.957 0.2 1 938 324 213 ARG N N 123.875 0.1 1 939 325 214 PRO C C 175.989 0.2 1 940 325 214 PRO CA C 63.248 0.2 1 941 325 214 PRO CB C 31.282 0.2 1 942 326 215 ALA H H 8.549 0.01 1 943 326 215 ALA C C 177.037 0.2 1 944 326 215 ALA CA C 51.522 0.2 1 945 326 215 ALA CB C 19.628 0.2 1 946 326 215 ALA N N 126.756 0.1 1 947 327 216 PHE H H 8.375 0.01 1 948 327 216 PHE C C 175.357 0.2 1 949 327 216 PHE CA C 57.313 0.2 1 950 327 216 PHE CB C 38.875 0.2 1 951 327 216 PHE N N 121.636 0.1 1 952 328 217 LEU H H 8.103 0.01 1 953 328 217 LEU C C 176.493 0.2 1 954 328 217 LEU CA C 54.546 0.2 1 955 328 217 LEU CB C 41.808 0.2 1 956 328 217 LEU N N 126.173 0.1 1 957 329 218 GLU H H 8.234 0.01 1 958 329 218 GLU C C 176.177 0.2 1 959 329 218 GLU CA C 56.239 0.2 1 960 329 218 GLU CB C 29.681 0.2 1 961 329 218 GLU N N 123.155 0.1 1 962 330 219 GLN H H 8.332 0.01 1 963 330 219 GLN C C 175.653 0.2 1 964 330 219 GLN CA C 55.485 0.2 1 965 330 219 GLN CB C 29.182 0.2 1 966 330 219 GLN N N 122.749 0.1 1 967 331 220 LYS H H 8.334 0.01 9 968 331 220 LYS C C 176.209 0.2 9 969 331 220 LYS CA C 55.847 0.2 9 970 331 220 LYS CB C 32.225 0.2 9 971 331 220 LYS N N 123.878 0.1 9 972 332 221 LEU H H 8.384 0.01 9 973 332 221 LEU C C 177.177 0.2 9 974 332 221 LEU CA C 54.917 0.2 9 975 332 221 LEU CB C 41.496 0.2 9 976 332 221 LEU N N 125.315 0.1 9 977 333 222 ILE H H 8.103 0.01 9 978 333 222 ILE C C 176.11 0.2 9 979 333 222 ILE CA C 60.823 0.2 9 980 333 222 ILE CB C 38.283 0.2 9 981 333 222 ILE N N 122.964 0.1 9 982 334 223 SER H H 8.38 0.01 9 983 334 223 SER C C 174.712 0.2 9 984 334 223 SER CA C 57.871 0.2 9 985 334 223 SER CB C 63.667 0.2 9 986 334 223 SER N N 120.668 0.1 9 987 335 224 GLU H H 8.515 0.01 1 988 335 224 GLU C C 176.794 0.2 1 989 335 224 GLU CA C 56.982 0.2 1 990 335 224 GLU CB C 29.561 0.2 1 991 335 224 GLU N N 123.932 0.1 1 992 336 225 GLU H H 8.332 0.01 1 993 336 225 GLU C C 176.229 0.2 1 994 336 225 GLU CA C 56.721 0.2 1 995 336 225 GLU CB C 29.735 0.2 1 996 336 225 GLU N N 121.196 0.1 1 997 337 226 ASP H H 8.212 0.01 1 998 337 226 ASP C C 176.109 0.2 1 999 337 226 ASP CA C 54.268 0.2 1 1000 337 226 ASP CB C 40.768 0.2 1 1001 337 226 ASP N N 121.662 0.1 1 1002 338 227 LEU H H 8.032 0.01 1 1003 338 227 LEU C C 177.873 0.2 1 1004 338 227 LEU CA C 55.755 0.2 1 1005 338 227 LEU CB C 41.377 0.2 1 1006 338 227 LEU N N 123.396 0.1 1 1007 339 228 ASN H H 8.31 0.01 1 1008 339 228 ASN C C 175.613 0.2 1 1009 339 228 ASN CA C 53.595 0.2 1 1010 339 228 ASN CB C 38.594 0.2 1 1011 339 228 ASN N N 118.84 0.1 1 1012 340 229 SER H H 8.028 0.01 1 1013 340 229 SER C C 174.437 0.2 1 1014 340 229 SER CA C 58.593 0.2 1 1015 340 229 SER CB C 63.359 0.2 1 1016 340 229 SER N N 116.417 0.1 1 1017 341 230 ALA H H 8.139 0.01 9 1018 341 230 ALA C C 177.854 0.2 9 1019 341 230 ALA CA C 52.49 0.2 9 1020 341 230 ALA CB C 18.611 0.2 9 1021 341 230 ALA N N 126.185 0.1 9 1022 342 231 VAL H H 7.856 0.01 9 1023 342 231 VAL C C 175.754 0.2 9 1024 342 231 VAL CA C 62.084 0.2 9 1025 342 231 VAL CB C 32.054 0.2 9 1026 342 231 VAL N N 118.869 0.1 9 1027 343 232 ASP H H 8.158 0.01 9 1028 343 232 ASP CA C 53.793 0.2 9 1029 343 232 ASP CB C 40.885 0.2 9 1030 343 232 ASP N N 123.949 0.1 9 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N TROSY HSQC' '3D TROSY HNCACB' '3D TROSY HN(COCA)CB' '3D TROSY HNCA' '3D TROSY HN(CO)CA' '3D TROSY HNCO' '3D TROSY HN(CA)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'the monomeric human M-ficolin fibrinogen-like domain' _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 331a 220 LYS C C 176.237 0.2 9 2 331a 220 LYS CA C 55.925 0.2 9 3 331a 220 LYS CB C 32.201 0.2 9 4 332a 221 LEU H H 8.295 0.01 9 5 332a 221 LEU C C 177.196 0.2 9 6 332a 221 LEU CA C 54.917 0.2 9 7 332a 221 LEU CB C 41.551 0.2 9 8 332a 221 LEU N N 124.736 0.1 9 9 333a 222 ILE H H 8.153 0.01 9 10 333a 222 ILE C C 176.097 0.2 9 11 333a 222 ILE CA C 60.736 0.2 9 12 333a 222 ILE CB C 38.222 0.2 9 13 333a 222 ILE N N 123.157 0.1 9 14 334a 223 SER H H 8.426 0.01 9 15 334a 223 SER CA C 57.786 0.2 9 16 334a 223 SER CB C 63.714 0.2 9 17 334a 223 SER N N 120.885 0.1 9 18 341a 230 ALA C C 177.853 0.2 9 19 341a 230 ALA CA C 52.56 0.2 9 20 341a 230 ALA CB C 18.741 0.2 9 21 342a 231 VAL H H 8.036 0.01 9 22 342a 231 VAL C C 175.775 0.2 9 23 342a 231 VAL CA C 62.105 0.2 9 24 342a 231 VAL CB C 32.096 0.2 9 25 342a 231 VAL N N 118.858 0.1 9 26 343a 232 ASP H H 8.198 0.01 9 27 343a 232 ASP CA C 53.798 0.2 9 28 343a 232 ASP N N 123.529 0.1 9 stop_ save_ save_assigned_chem_shift_list_3 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N TROSY HSQC' '3D TROSY HNCACB' '3D TROSY HN(COCA)CB' '3D TROSY HNCA' '3D TROSY HN(CO)CA' '3D TROSY HNCO' '3D TROSY HN(CA)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'the monomeric human M-ficolin fibrinogen-like domain' _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 341b 230 ALA C C 177.765 0.2 9 2 341b 230 ALA CA C 52.338 0.2 9 3 341b 230 ALA CB C 18.719 0.2 9 4 342b 231 VAL H H 7.913 0.01 9 5 342b 231 VAL C C 175.772 0.2 9 6 342b 231 VAL CA C 61.902 0.2 9 7 342b 231 VAL CB C 32.337 0.2 9 8 342b 231 VAL N N 118.772 0.1 9 stop_ save_