data_27722 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone, methyl and Arg Ne chemical shift assignments, relaxation data and order parameters of Galectin-3 bound to R ; _BMRB_accession_number 27722 _BMRB_flat_file_name bmr27722.str _Entry_type original _Submission_date 2018-12-10 _Accession_date 2018-12-10 _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 Verteramo 'Maria Luisa' . . 2 Stenstrom Olof . . 3 'Misini Ignjatovic' Majda . . 4 Caldararu Octav . . 5 Olsson Martin A. . 6 Manzoni Francesco . . 7 Leffer Hakon . . 8 Oksanen Esko . . 9 Logan Derek . . 10 Nilsson Ulf J. . 11 Ryde Ulf . . 12 Akke Mikael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 heteronucl_NOE 5 T1_relaxation 7 T2_relaxation 7 S2_parameters 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 181 "13C chemical shifts" 71 "15N chemical shifts" 110 "T1 relaxation values" 441 "T2 relaxation values" 447 "order parameters" 168 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-04-17 update BMRB 'update entry citation' 2018-12-21 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27721 'Galectin-3 bound to S' stop_ _Original_release_date 2018-12-10 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30618244 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Verteramo 'Maria Luisa' . . 2 Stenstrom Olof . . 3 'Misini Ignjatovic' Majda . . 4 Caldararu Octav . . 5 Olsson Martin A. . 6 Manzoni Francesco . . 7 Leffer Hakon . . 8 Oksanen Esko . . 9 Logan Derek . . 10 Nilsson Ulf J. . 11 Ryde Ulf . . 12 Akke Mikael . . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_name_full 'Journal of the American Chemical Society' _Journal_volume 141 _Journal_issue 5 _Journal_ISSN 1520-5126 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2012 _Page_last 2026 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Gal3C R' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Galectin-3C $Galectin-3C stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details ; In complex with compound R: (2R)-2-hydroxy-3-(4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl)-propyl) 2,4,6-tri-O-acetyl-3-deoxy-3-(4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl)-1-thio- -D galactopyranoside ; save_ ######################## # Monomeric polymers # ######################## save_Galectin-3C _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Galectin-3C _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 138 _Mol_residue_sequence ; PLIVPYNLPLPGGVVPRMLI TILGTVKPNANRIALDFQRG NDVAFHFNPRFNENNRRVIV CNTKLDNNWGREERQSVFPF ESGKPFKIQVLVEPDHFKVA VNDAHLLQYNHRVKKLNEIS KLGISGDIDLTSASYTMI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 113 PRO 2 114 LEU 3 115 ILE 4 116 VAL 5 117 PRO 6 118 TYR 7 119 ASN 8 120 LEU 9 121 PRO 10 122 LEU 11 123 PRO 12 124 GLY 13 125 GLY 14 126 VAL 15 127 VAL 16 128 PRO 17 129 ARG 18 130 MET 19 131 LEU 20 132 ILE 21 133 THR 22 134 ILE 23 135 LEU 24 136 GLY 25 137 THR 26 138 VAL 27 139 LYS 28 140 PRO 29 141 ASN 30 142 ALA 31 143 ASN 32 144 ARG 33 145 ILE 34 146 ALA 35 147 LEU 36 148 ASP 37 149 PHE 38 150 GLN 39 151 ARG 40 152 GLY 41 153 ASN 42 154 ASP 43 155 VAL 44 156 ALA 45 157 PHE 46 158 HIS 47 159 PHE 48 160 ASN 49 161 PRO 50 162 ARG 51 163 PHE 52 164 ASN 53 165 GLU 54 166 ASN 55 167 ASN 56 168 ARG 57 169 ARG 58 170 VAL 59 171 ILE 60 172 VAL 61 173 CYS 62 174 ASN 63 175 THR 64 176 LYS 65 177 LEU 66 178 ASP 67 179 ASN 68 180 ASN 69 181 TRP 70 182 GLY 71 183 ARG 72 184 GLU 73 185 GLU 74 186 ARG 75 187 GLN 76 188 SER 77 189 VAL 78 190 PHE 79 191 PRO 80 192 PHE 81 193 GLU 82 194 SER 83 195 GLY 84 196 LYS 85 197 PRO 86 198 PHE 87 199 LYS 88 200 ILE 89 201 GLN 90 202 VAL 91 203 LEU 92 204 VAL 93 205 GLU 94 206 PRO 95 207 ASP 96 208 HIS 97 209 PHE 98 210 LYS 99 211 VAL 100 212 ALA 101 213 VAL 102 214 ASN 103 215 ASP 104 216 ALA 105 217 HIS 106 218 LEU 107 219 LEU 108 220 GLN 109 221 TYR 110 222 ASN 111 223 HIS 112 224 ARG 113 225 VAL 114 226 LYS 115 227 LYS 116 228 LEU 117 229 ASN 118 230 GLU 119 231 ILE 120 232 SER 121 233 LYS 122 234 LEU 123 235 GLY 124 236 ILE 125 237 SER 126 238 GLY 127 239 ASP 128 240 ILE 129 241 ASP 130 242 LEU 131 243 THR 132 244 SER 133 245 ALA 134 246 SER 135 247 TYR 136 248 THR 137 249 MET 138 250 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Galectin-3C 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 $Galectin-3C 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Galectin-3C 0.32 mM '[U-100% 15N]' 'compound R' 0.41 mM 'natural abundance' stop_ save_ save_15N-13C _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Galectin-3C 0.20 mM '[U-100% 13C; U-100% 15N]' 'compound R' 0.34 mM 'natural abundance' stop_ save_ save_15N-13C-D2O _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Galectin-3C 0.34 mM '[U-100% 13C; U-100% 15N; U-60% 2H]' 'compound R' 0.41 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_Analysis _Saveframe_category software _Name Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_Relax _Saveframe_category software _Name Relax _Version . loop_ _Vendor _Address _Electronic_address "d'Auvergne, E. J. and Gooley, P. R." . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_PINT _Saveframe_category software _Name PINT _Version . loop_ _Vendor _Address _Electronic_address 'Patrik Lundstr m' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model UnityPlus _Field_strength 500 _Details . save_ save_600 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model UnityPlus _Field_strength 600 _Details . save_ save_900 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $15N-13C save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N save_ save_3D_CCH-TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $15N-13C save_ save_3D_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $15N-13C save_ save_2D_1H-13C_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $15N-13C save_ save_15N_T1_6 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T1' _Sample_label $15N save_ save_15N_T2_7 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T2' _Sample_label $15N save_ save_{H}-15N_NOE_8 _Saveframe_category NMR_applied_experiment _Experiment_name '{H}-15N NOE' _Sample_label $15N save_ save_R1(Dz)_9 _Saveframe_category NMR_applied_experiment _Experiment_name R1(Dz) _Sample_label $15N-13C-D2O save_ save_R(3Dz-2)_10 _Saveframe_category NMR_applied_experiment _Experiment_name R(3Dz-2) _Sample_label $15N-13C-D2O save_ save_R2(D+)_11 _Saveframe_category NMR_applied_experiment _Experiment_name R2(D+) _Sample_label $15N-13C-D2O save_ save_R(D-Dz_+_DzD+)_12 _Saveframe_category NMR_applied_experiment _Experiment_name 'R(D-Dz + DzD+)' _Sample_label $15N-13C-D2O save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 7.4 . pH pressure 1 . atm temperature 301 . 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 ; Additional rows: 105 7 0.82671 14.95639 (171Ile/134Ile)Hd1* (171Ile/134Ile)Cd1 106 51 0.84540 25.16110 (177Leu/135Leu)(Hdb*/Hda*) (177Leu/135Leu)Cd* 107 50 0.75277 23.40624 (177Leu/213Val)(Hda*/Hgb*) (177Leu/213Val)(Cda/Cgb) 108 6 0.73059 14.32032 (240Ile/200Ile)Hd1* (240Ile/200Ile)Cd1 113 79 0.84564 19.97143 (240IleHg2*/127ValHga*/202ValHga*) 114 72 1.12795 22.18189 (243ThrHg2*/116ValHga*/202ValHgb*) ; loop_ _Experiment_label '3D HNCACB' '2D 1H-15N HSQC' '3D CCH-TOCSY' '3D HCCH-TOCSY' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $15N-13C $15N stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Galectin-3C _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 1 114 2 LEU HD1 H 0.28792 . 2 2 114 2 LEU HD2 H 0.75586 . 2 3 114 2 LEU CD1 C 24.19071 . 2 4 114 2 LEU CD2 C 22.45489 . 2 5 115 3 ILE HG2 H 0.99828 . 1 6 115 3 ILE HD1 H 0.97030 . 1 7 115 3 ILE CG2 C 17.70213 . 1 8 115 3 ILE CD1 C 12.75466 . 1 9 116 4 VAL HG2 H 1.21400 . 2 10 116 4 VAL CG2 C 21.83769 . 2 11 120 8 LEU HD1 H 0.89383 . 2 12 120 8 LEU HD2 H 1.23710 . 2 13 120 8 LEU CD1 C 26.58645 . 2 14 120 8 LEU CD2 C 24.56505 . 2 15 122 10 LEU HD1 H 0.55854 . 2 16 122 10 LEU HD2 H 0.74772 . 2 17 122 10 LEU CD1 C 23.60795 . 2 18 122 10 LEU CD2 C 26.56772 . 2 19 126 14 VAL HG1 H 1.03424 . 2 20 126 14 VAL HG2 H 1.04833 . 2 21 126 14 VAL CG1 C 22.61574 . 2 22 126 14 VAL CG2 C 23.98903 . 2 23 127 15 VAL HG2 H 0.93265 . 2 24 127 15 VAL CG2 C 21.55393 . 2 25 130 18 MET HE H 1.78643 . 1 26 130 18 MET CE C 17.66786 . 1 27 131 19 LEU HD1 H 0.83416 . 2 28 131 19 LEU HD2 H 0.87889 . 2 29 131 19 LEU CD1 C 26.35496 . 2 30 131 19 LEU CD2 C 24.27596 . 2 31 132 20 ILE HG2 H 0.93879 . 1 32 132 20 ILE HD1 H 1.21453 . 1 33 132 20 ILE CG2 C 18.13742 . 1 34 132 20 ILE CD1 C 15.63279 . 1 35 133 21 THR HG2 H 1.12017 . 1 36 133 21 THR CG2 C 21.52031 . 1 37 134 22 ILE HG2 H 1.02114 . 1 38 134 22 ILE CG2 C 18.88410 . 1 39 135 23 LEU HD2 H 0.92515 . 2 40 135 23 LEU CD2 C 24.21289 . 2 41 137 25 THR HG2 H 1.00179 . 1 42 137 25 THR CG2 C 21.71565 . 1 43 138 26 VAL HG1 H 1.09489 . 2 44 138 26 VAL HG2 H 1.31491 . 2 45 138 26 VAL CG1 C 24.34627 . 2 46 138 26 VAL CG2 C 24.69614 . 2 47 142 30 ALA HB H 0.60344 . 1 48 142 30 ALA CB C 20.33046 . 1 49 145 33 ILE HG2 H 0.58016 . 1 50 145 33 ILE HD1 H 0.00572 . 1 51 145 33 ILE CG2 C 15.50614 . 1 52 145 33 ILE CD1 C 13.75171 . 1 53 146 34 ALA HB H 0.68459 . 1 54 146 34 ALA CB C 21.87337 . 1 55 147 35 LEU HD1 H 0.66874 . 2 56 147 35 LEU HD2 H 0.75307 . 2 57 147 35 LEU CD1 C 24.16216 . 2 58 147 35 LEU CD2 C 25.45711 . 2 59 155 43 VAL HG1 H 0.77334 . 2 60 155 43 VAL HG2 H 1.16907 . 2 61 155 43 VAL CG1 C 20.30544 . 2 62 155 43 VAL CG2 C 22.84005 . 2 63 156 44 ALA HB H 1.57079 . 1 64 156 44 ALA CB C 19.52591 . 1 65 170 58 VAL HG1 H 0.66183 . 2 66 170 58 VAL HG2 H 0.79381 . 2 67 170 58 VAL CG1 C 19.27653 . 2 68 170 58 VAL CG2 C 21.05554 . 2 69 171 59 ILE HG2 H 0.14389 . 1 70 171 59 ILE CG2 C 17.80626 . 1 71 172 60 VAL HG1 H 0.63412 . 2 72 172 60 VAL HG2 H 0.79615 . 2 73 172 60 VAL CG1 C 21.38977 . 2 74 172 60 VAL CG2 C 21.66276 . 2 75 175 63 THR HG2 H 1.49739 . 1 76 175 63 THR CG2 C 21.57786 . 1 77 189 77 VAL HG1 H 0.84875 . 2 78 189 77 VAL HG2 H 1.04100 . 2 79 189 77 VAL CG1 C 21.32471 . 2 80 189 77 VAL CG2 C 21.56698 . 2 81 200 88 ILE HG2 H 0.65707 . 1 82 200 88 ILE CG2 C 17.47909 . 1 83 203 91 LEU HD1 H 0.90686 . 2 84 203 91 LEU HD2 H 0.91060 . 2 85 203 91 LEU CD1 C 23.47388 . 2 86 203 91 LEU CD2 C 26.43615 . 2 87 204 92 VAL HG1 H 0.44331 . 2 88 204 92 VAL HG2 H 1.07212 . 2 89 204 92 VAL CG1 C 21.39221 . 2 90 204 92 VAL CG2 C 20.54607 . 2 91 211 99 VAL HG1 H 0.45984 . 2 92 211 99 VAL HG2 H 0.82417 . 2 93 211 99 VAL CG1 C 21.23605 . 2 94 211 99 VAL CG2 C 21.31051 . 2 95 212 100 ALA HB H 1.31392 . 1 96 212 100 ALA CB C 22.27782 . 1 97 213 101 VAL HG1 H 0.32876 . 2 98 213 101 VAL CG1 C 20.60036 . 2 99 216 104 ALA HB H 1.38635 . 1 100 216 104 ALA CB C 21.07915 . 1 101 218 106 LEU HD1 H 0.85978 . 2 102 218 106 LEU HD2 H 0.89302 . 2 103 218 106 LEU CD1 C 22.35483 . 2 104 218 106 LEU CD2 C 26.96729 . 2 105 219 107 LEU HD1 H 0.97119 . 2 106 219 107 LEU HD2 H 1.00380 . 2 107 219 107 LEU CD1 C 24.78923 . 2 108 219 107 LEU CD2 C 28.58929 . 2 109 225 113 VAL HG1 H 0.86800 . 2 110 225 113 VAL HG2 H 1.06209 . 2 111 225 113 VAL CG1 C 20.83118 . 2 112 225 113 VAL CG2 C 21.97300 . 2 113 228 116 LEU HD1 H -0.23603 . 2 114 228 116 LEU HD2 H 0.34368 . 2 115 228 116 LEU CD1 C 20.04411 . 2 116 228 116 LEU CD2 C 24.33660 . 2 117 231 119 ILE HG2 H 1.13118 . 1 118 231 119 ILE HD1 H 0.93121 . 1 119 231 119 ILE CG2 C 19.26891 . 1 120 231 119 ILE CD1 C 15.11498 . 1 121 234 122 LEU HD1 H -0.32106 . 2 122 234 122 LEU HD2 H 0.59492 . 2 123 234 122 LEU CD1 C 22.12918 . 2 124 234 122 LEU CD2 C 26.84527 . 2 125 236 124 ILE HG2 H 0.92920 . 1 126 236 124 ILE HD1 H 0.92818 . 1 127 236 124 ILE CG2 C 18.74269 . 1 128 236 124 ILE CD1 C 15.99690 . 1 129 242 130 LEU HD1 H 0.53416 . 2 130 242 130 LEU HD2 H 0.90258 . 2 131 242 130 LEU CD1 C 27.51433 . 2 132 242 130 LEU CD2 C 24.23449 . 2 133 245 133 ALA HB H 1.24383 . 1 134 245 133 ALA CB C 21.78582 . 1 135 248 136 THR HG2 H 1.17889 . 1 136 248 136 THR CG2 C 19.49509 . 1 137 249 137 MET HE H 2.09431 . 1 138 249 137 MET CE C 16.26738 . 1 139 250 138 ILE HG2 H 0.92525 . 1 140 250 138 ILE HD1 H 0.89693 . 1 141 250 138 ILE CG2 C 19.55085 . 1 142 250 138 ILE CD1 C 14.99609 . 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details ; Additional rows: 111 14 9.13133 123.60415 (133Thr/211Val)H (133Thr/211Val)N 112 24 8.71271 117.44623 (144Arg/164Asn)H (144Arg/164Asn)N 113 35 8.94236 127.99917 (156Ala/218Leu)H (156Ala/218Leu)N 114 62 9.24118 119.99955 (193Glu/237Ser)H (193Glu/237Ser)N ; loop_ _Experiment_label '3D HNCACB' '2D 1H-15N HSQC' '3D CCH-TOCSY' '3D HCCH-TOCSY' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $15N-13C $15N stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Galectin-3C _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 3 ILE H H 8.29736 . 1 2 115 3 ILE N N 123.08802 . 1 3 116 4 VAL H H 7.92976 . 1 4 116 4 VAL N N 122.48540 . 1 5 118 6 TYR H H 9.18463 . 1 6 118 6 TYR N N 125.98273 . 1 7 119 7 ASN H H 7.76626 . 1 8 119 7 ASN N N 126.08127 . 1 9 120 8 LEU H H 9.41497 . 1 10 120 8 LEU N N 128.07202 . 1 11 122 10 LEU H H 7.85734 . 1 12 122 10 LEU N N 122.44483 . 1 13 125 13 GLY H H 8.27512 . 1 14 125 13 GLY N N 108.96300 . 1 15 126 14 VAL H H 7.17479 . 1 16 126 14 VAL N N 113.53099 . 1 17 127 15 VAL H H 6.55131 . 1 18 127 15 VAL N N 116.82166 . 1 19 129 17 ARG H H 8.75834 . 1 20 129 17 ARG N N 112.59759 . 1 21 130 18 MET H H 7.89220 . 1 22 130 18 MET N N 119.35756 . 1 23 131 19 LEU H H 9.21091 . 1 24 131 19 LEU N N 128.54801 . 1 25 132 20 ILE H H 9.93534 . 1 26 132 20 ILE N N 132.36563 . 1 27 134 22 ILE H H 9.67900 . 1 28 134 22 ILE N N 130.08061 . 1 29 135 23 LEU H H 8.82088 . 1 30 135 23 LEU N N 126.96788 . 1 31 136 24 GLY H H 6.96818 . 1 32 136 24 GLY N N 108.51879 . 1 33 137 25 THR H H 8.97228 . 1 34 137 25 THR N N 115.95228 . 1 35 138 26 VAL H H 8.40082 . 1 36 138 26 VAL N N 128.26188 . 1 37 139 27 LYS H H 8.20009 . 1 38 139 27 LYS N N 128.54803 . 1 39 142 30 ALA H H 6.90649 . 1 40 142 30 ALA N N 119.47449 . 1 41 143 31 ASN H H 9.74437 . 1 42 143 31 ASN N N 116.66849 . 1 43 145 33 ILE H H 8.17033 . 1 44 145 33 ILE N N 119.80284 . 1 45 146 34 ALA H H 8.76061 . 1 46 146 34 ALA N N 126.41126 . 1 47 147 35 LEU H H 8.30808 . 1 48 147 35 LEU N N 120.83243 . 1 49 148 36 ASP H H 9.02539 . 1 50 148 36 ASP N N 120.54886 . 1 51 149 37 PHE H H 9.33251 . 1 52 149 37 PHE N N 125.47394 . 1 53 150 38 GLN H H 9.15270 . 1 54 150 38 GLN N N 127.30151 . 1 55 151 39 ARG H H 8.16259 . 1 56 151 39 ARG N N 125.48091 . 1 57 154 42 ASP H H 8.48193 . 1 58 154 42 ASP N N 119.94045 . 1 59 155 43 VAL H H 9.27392 . 1 60 155 43 VAL N N 120.94851 . 1 61 157 45 PHE H H 7.64204 . 1 62 157 45 PHE N N 118.85833 . 1 63 158 46 HIS H H 9.32658 . 1 64 158 46 HIS N N 133.36553 . 1 65 159 47 PHE H H 8.39652 . 1 66 159 47 PHE N N 127.25396 . 1 67 160 48 ASN H H 8.43003 . 1 68 160 48 ASN N N 122.93990 . 1 69 162 50 ARG H H 9.31901 . 1 70 162 50 ARG N N 125.69973 . 1 71 163 51 PHE H H 8.22781 . 1 72 163 51 PHE N N 118.67702 . 1 73 165 53 GLU H H 8.98962 . 1 74 165 53 GLU N N 125.78442 . 1 75 167 55 ASN H H 8.03706 . 1 76 167 55 ASN N N 107.99966 . 1 77 168 56 ARG H H 7.43344 . 1 78 168 56 ARG N N 117.27572 . 1 79 169 57 ARG H H 7.89388 . 1 80 169 57 ARG N N 118.77889 . 1 81 170 58 VAL H H 8.60552 . 1 82 170 58 VAL N N 121.84706 . 1 83 171 59 ILE H H 8.74684 . 1 84 171 59 ILE N N 124.72550 . 1 85 172 60 VAL H H 7.30011 . 1 86 172 60 VAL N N 128.00149 . 1 87 173 61 CYS H H 8.91304 . 1 88 173 61 CYS N N 123.93245 . 1 89 174 62 ASN H H 9.02654 . 1 90 174 62 ASN N N 119.36452 . 1 91 175 63 THR H H 10.09114 . 1 92 175 63 THR N N 118.71737 . 1 93 176 64 LYS H H 9.12323 . 1 94 176 64 LYS N N 130.59790 . 1 95 177 65 LEU H H 7.96078 . 1 96 177 65 LEU N N 126.21321 . 1 97 178 66 ASP H H 9.02548 . 1 98 178 66 ASP N N 126.09702 . 1 99 179 67 ASN H H 9.23291 . 1 100 179 67 ASN N N 108.48653 . 1 101 180 68 ASN H H 7.83211 . 1 102 180 68 ASN N N 117.84129 . 1 103 181 69 TRP H H 8.97999 . 1 104 181 69 TRP N N 126.93995 . 1 105 182 70 GLY H H 8.26142 . 1 106 182 70 GLY N N 110.43593 . 1 107 183 71 ARG H H 8.75006 . 1 108 183 71 ARG N N 125.20710 . 1 109 184 72 GLU H H 8.95272 . 1 110 184 72 GLU N N 125.33675 . 1 111 185 73 GLU H H 9.21123 . 1 112 185 73 GLU N N 122.27296 . 1 113 187 75 GLN H H 8.76984 . 1 114 187 75 GLN N N 121.62896 . 1 115 189 77 VAL H H 7.88288 . 1 116 189 77 VAL N N 125.59098 . 1 117 190 78 PHE H H 8.38372 . 1 118 190 78 PHE N N 125.69930 . 1 119 192 80 PHE H H 5.81187 . 1 120 192 80 PHE N N 113.89278 . 1 121 194 82 SER H H 9.08690 . 1 122 194 82 SER N N 120.54392 . 1 123 195 83 GLY H H 7.09860 . 1 124 195 83 GLY N N 112.64482 . 1 125 196 84 LYS H H 7.80667 . 1 126 196 84 LYS N N 118.10048 . 1 127 198 86 PHE H H 8.76797 . 1 128 198 86 PHE N N 116.38547 . 1 129 199 87 LYS H H 8.15506 . 1 130 199 87 LYS N N 121.68476 . 1 131 200 88 ILE H H 9.83442 . 1 132 200 88 ILE N N 127.40548 . 1 133 201 89 GLN H H 9.33035 . 1 134 201 89 GLN N N 125.28237 . 1 135 202 90 VAL H H 9.59770 . 1 136 202 90 VAL N N 124.09343 . 1 137 203 91 LEU H H 9.47665 . 1 138 203 91 LEU N N 130.51458 . 1 139 204 92 VAL H H 9.04327 . 1 140 204 92 VAL N N 127.47356 . 1 141 205 93 GLU H H 8.37158 . 1 142 205 93 GLU N N 128.28326 . 1 143 207 95 ASP H H 8.03052 . 1 144 207 95 ASP N N 107.19295 . 1 145 208 96 HIS H H 6.51476 . 1 146 208 96 HIS N N 116.21731 . 1 147 209 97 PHE H H 8.57119 . 1 148 209 97 PHE N N 114.67609 . 1 149 210 98 LYS H H 9.72962 . 1 150 210 98 LYS N N 123.65884 . 1 151 212 100 ALA H H 9.29322 . 1 152 212 100 ALA N N 130.44118 . 1 153 213 101 VAL H H 8.50300 . 1 154 213 101 VAL N N 121.11889 . 1 155 214 102 ASN H H 9.92319 . 1 156 214 102 ASN N N 127.43268 . 1 157 215 103 ASP H H 8.99760 . 1 158 215 103 ASP N N 107.79398 . 1 159 216 104 ALA H H 7.69786 . 1 160 216 104 ALA N N 121.59334 . 1 161 219 107 LEU H H 7.58258 . 1 162 219 107 LEU N N 110.07925 . 1 163 220 108 GLN H H 8.79113 . 1 164 220 108 GLN N N 119.13226 . 1 165 221 109 TYR H H 8.95766 . 1 166 221 109 TYR N N 125.75188 . 1 167 222 110 ASN H H 9.37634 . 1 168 222 110 ASN N N 129.92053 . 1 169 223 111 HIS H H 7.17937 . 1 170 223 111 HIS N N 117.25057 . 1 171 224 112 ARG H H 9.50221 . 1 172 224 112 ARG N N 125.48634 . 1 173 225 113 VAL H H 8.40537 . 1 174 225 113 VAL N N 120.54763 . 1 175 227 115 LYS H H 7.10662 . 1 176 227 115 LYS N N 120.79516 . 1 177 228 116 LEU H H 7.66511 . 1 178 228 116 LEU N N 122.87772 . 1 179 229 117 ASN H H 8.42346 . 1 180 229 117 ASN N N 112.91860 . 1 181 230 118 GLU H H 7.43822 . 1 182 230 118 GLU N N 116.45225 . 1 183 231 119 ILE H H 7.71884 . 1 184 231 119 ILE N N 122.24037 . 1 185 232 120 SER H H 7.72806 . 1 186 232 120 SER N N 116.21297 . 1 187 233 121 LYS H H 7.88938 . 1 188 233 121 LYS N N 120.95636 . 1 189 234 122 LEU H H 8.62624 . 1 190 234 122 LEU N N 124.60078 . 1 191 235 123 GLY H H 9.37162 . 1 192 235 123 GLY N N 114.47925 . 1 193 236 124 ILE H H 9.22215 . 1 194 236 124 ILE N N 126.39759 . 1 195 238 126 GLY H H 9.08713 . 1 196 238 126 GLY N N 106.57969 . 1 197 239 127 ASP H H 8.76837 . 1 198 239 127 ASP N N 122.35201 . 1 199 240 128 ILE H H 8.02645 . 1 200 240 128 ILE N N 112.49735 . 1 201 241 129 ASP H H 8.92531 . 1 202 241 129 ASP N N 121.17786 . 1 203 242 130 LEU H H 9.30545 . 1 204 242 130 LEU N N 126.44715 . 1 205 243 131 THR H H 9.05671 . 1 206 243 131 THR N N 121.56136 . 1 207 244 132 SER H H 7.81000 . 1 208 244 132 SER N N 111.98295 . 1 209 245 133 ALA H H 8.32477 . 1 210 245 133 ALA N N 125.83651 . 1 211 246 134 SER H H 8.60261 . 1 212 246 134 SER N N 115.23711 . 1 213 247 135 TYR H H 8.39155 . 1 214 247 135 TYR N N 115.29180 . 1 215 248 136 THR H H 8.91500 . 1 216 248 136 THR N N 115.16077 . 1 217 249 137 MET H H 8.15233 . 1 218 249 137 MET N N 120.85440 . 1 219 250 138 ILE H H 8.63671 . 1 220 250 138 ILE N N 125.15855 . 1 stop_ save_ save_backbone_15N_T1_500 _Saveframe_category T1_relaxation _Details . loop_ _Software_label $Analysis stop_ loop_ _Sample_label $15N stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 499260345 _T1_coherence_type Sz _T1_value_units s-1 _Mol_system_component_name Galectin-3C _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 ILE N 1.637970 0.028630 2 4 VAL N 1.808100 0.016590 3 6 TYR N 2.047290 0.031740 4 7 ASN N 2.038290 0.091830 5 8 LEU N 1.929820 0.012910 6 10 LEU N 1.907780 0.014760 7 13 GLY N 2.010550 0.030550 8 14 VAL N 1.844170 0.018970 9 15 VAL N 1.965480 0.028630 10 17 ARG N 1.951960 0.035050 11 18 MET N 2.034430 0.035010 12 19 LEU N 1.993480 0.020090 13 20 ILE N 2.017390 0.030790 14 22 ILE N 2.077560 0.023900 15 23 LEU N 2.042650 0.024690 16 24 GLY N 2.094810 0.043670 17 25 THR N 2.025920 0.032850 18 27 LYS N 2.034510 0.022910 19 30 ALA N 1.861700 0.036300 20 31 ASN N 1.946160 0.034690 21 33 ILE N 2.070210 0.032020 22 34 ALA N 2.036530 0.025420 23 35 LEU N 2.014110 0.036130 24 36 ASP N 1.922160 0.021270 25 38 GLN N 2.002810 0.028190 26 39 ARG N 1.983600 0.029550 27 42 ASP N 1.925430 0.023900 28 43 VAL N 1.967830 0.022760 29 45 PHE N 2.154290 0.046930 30 46 HIS N 2.030640 0.043800 31 47 PHE N 2.038130 0.030350 32 51 PHE N 2.041470 0.018860 33 55 ASN N 2.052530 0.027520 34 56 ARG N 1.915720 0.017110 35 57 ARG N 1.905620 0.021930 36 58 VAL N 2.054720 0.018890 37 59 ILE N 2.025240 0.020600 38 60 VAL N 2.016650 0.040710 39 61 CYS N 2.028130 0.020550 40 62 ASN N 1.999850 0.020140 41 63 THR N 1.921610 0.033720 42 64 LYS N 2.010000 0.022140 43 65 LEU N 1.953810 0.019960 44 66 ASP N 1.993540 0.025560 45 67 ASN N 1.994160 0.051690 46 68 ASN N 1.878750 0.025780 47 69 TRP N 2.051090 0.064300 48 70 GLY N 1.993810 0.020930 49 71 ARG N 2.107690 0.056780 50 73 GLU N 1.945920 0.033930 51 75 GLN N 1.989950 0.021220 52 77 VAL N 1.922570 0.030220 53 78 PHE N 2.116610 0.111290 54 80 PHE N 1.526880 0.023400 55 82 SER N 1.924340 0.079710 56 83 GLY N 1.998390 0.017200 57 84 LYS N 1.985360 0.022180 58 86 PHE N 1.993610 0.012720 59 87 LYS N 2.006760 0.030390 60 88 ILE N 2.021780 0.028430 61 90 VAL N 1.945060 0.016680 62 91 LEU N 2.019270 0.017960 63 92 VAL N 2.061810 0.029250 64 95 ASP N 2.135380 0.087300 65 96 HIS N 2.014590 0.016760 66 97 PHE N 2.032980 0.031840 67 98 LYS N 1.970660 0.030010 68 100 ALA N 2.068350 0.025990 69 101 VAL N 1.979570 0.018600 70 102 ASN N 2.078590 0.021090 71 103 ASP N 2.061890 0.036170 72 104 ALA N 1.948430 0.026090 73 107 LEU N 2.027720 0.040080 74 108 GLN N 2.006170 0.014540 75 110 ASN N 1.988130 0.030530 76 111 HIS N 2.014310 0.035650 77 112 ARG N 1.954540 0.052970 78 113 VAL N 1.736090 0.016760 79 115 LYS N 1.934550 0.106690 80 116 LEU N 2.019390 0.013340 81 117 ASN N 2.148820 0.025540 82 118 GLU N 2.078440 0.019800 83 119 ILE N 2.022840 0.022710 84 120 SER N 1.832190 0.030490 85 121 LYS N 2.090130 0.026230 86 122 LEU N 1.983320 0.026720 87 123 GLY N 1.999030 0.028500 88 124 ILE N 2.006330 0.021840 89 126 GLY N 2.091840 0.028230 90 127 ASP N 1.949050 0.014400 91 128 ILE N 2.065700 0.016910 92 129 ASP N 2.071700 0.024690 93 130 LEU N 1.953520 0.017970 94 131 THR N 2.077990 0.032590 95 132 SER N 2.028190 0.039300 96 133 ALA N 2.057170 0.014530 97 134 SER N 1.980770 0.022220 98 135 TYR N 2.001060 0.029200 99 136 THR N 2.009480 0.032060 100 137 MET N 1.872190 0.025340 101 138 ILE N 1.939220 0.026800 stop_ save_ save_backbone_15N_T1_600 _Saveframe_category T1_relaxation _Details . loop_ _Software_label $Analysis stop_ loop_ _Sample_label $15N stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 599882216 _T1_coherence_type Sz _T1_value_units s-1 _Mol_system_component_name Galectin-3C _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 ILE N 1.314300 0.008950 2 4 VAL N 1.429000 0.029860 3 6 TYR N 1.644050 0.026320 4 7 ASN N 1.621460 0.060820 5 8 LEU N 1.518510 0.027160 6 10 LEU N 1.459790 0.029680 7 13 GLY N 1.610510 0.021660 8 14 VAL N 1.436520 0.015920 9 15 VAL N 1.571730 0.039350 10 17 ARG N 1.560370 0.018910 11 18 MET N 1.594250 0.033200 12 19 LEU N 1.677190 0.014580 13 20 ILE N 1.566210 0.022170 14 22 ILE N 1.566730 0.017520 15 23 LEU N 1.626220 0.025970 16 24 GLY N 1.607240 0.015740 17 25 THR N 1.594430 0.023720 18 27 LYS N 1.607490 0.020210 19 30 ALA N 1.495420 0.024360 20 31 ASN N 1.519130 0.024590 21 33 ILE N 1.563720 0.017760 22 34 ALA N 1.649480 0.026210 23 35 LEU N 1.520500 0.028980 24 36 ASP N 1.484070 0.019350 25 38 GLN N 1.566030 0.018020 26 39 ARG N 1.515420 0.018620 27 42 ASP N 1.586340 0.037100 28 43 VAL N 1.557170 0.023010 29 45 PHE N 1.680050 0.040930 30 46 HIS N 1.579800 0.031300 31 47 PHE N 1.608420 0.020300 32 51 PHE N 1.602010 0.026000 33 55 ASN N 1.627230 0.022210 34 56 ARG N 1.566810 0.043660 35 57 ARG N 1.469710 0.038710 36 58 VAL N 1.629980 0.019080 37 59 ILE N 1.694990 0.030770 38 60 VAL N 1.589410 0.019360 39 61 CYS N 1.602760 0.026800 40 62 ASN N 1.582820 0.022840 41 63 THR N 1.480820 0.018320 42 64 LYS N 1.612600 0.017240 43 65 LEU N 1.523370 0.019000 44 66 ASP N 1.596260 0.018720 45 67 ASN N 1.554810 0.037300 46 68 ASN N 1.442210 0.012330 47 69 TRP N 1.658110 0.051760 48 70 GLY N 1.540560 0.018730 49 71 ARG N 1.718800 0.060610 50 73 GLU N 1.589390 0.028820 51 75 GLN N 1.628090 0.020320 52 77 VAL N 1.523570 0.019790 53 78 PHE N 1.696270 0.024670 54 80 PHE N 1.255360 0.010850 55 82 SER N 1.537910 0.041020 56 83 GLY N 1.525950 0.029400 57 84 LYS N 1.504010 0.013140 58 86 PHE N 1.595520 0.015240 59 87 LYS N 1.576160 0.017440 60 88 ILE N 1.538060 0.011490 61 90 VAL N 1.484900 0.016030 62 91 LEU N 1.556050 0.010660 63 92 VAL N 1.657970 0.046650 64 95 ASP N 1.733750 0.058470 65 96 HIS N 1.649260 0.032060 66 97 PHE N 1.535250 0.031870 67 98 LYS N 1.514320 0.031270 68 100 ALA N 1.621040 0.017650 69 101 VAL N 1.556310 0.021720 70 102 ASN N 1.661910 0.028140 71 103 ASP N 1.653110 0.028540 72 104 ALA N 1.520670 0.010900 73 107 LEU N 1.648430 0.035480 74 108 GLN N 1.596130 0.027400 75 110 ASN N 1.564380 0.020470 76 111 HIS N 1.571800 0.028570 77 112 ARG N 1.495500 0.034890 78 113 VAL N 1.320350 0.016580 79 115 LYS N 1.500840 0.091840 80 116 LEU N 1.567180 0.011770 81 117 ASN N 1.681770 0.033310 82 118 GLU N 1.618170 0.020710 83 119 ILE N 1.590340 0.035860 84 120 SER N 1.445730 0.018080 85 121 LYS N 1.700100 0.020900 86 122 LEU N 1.573830 0.035020 87 123 GLY N 1.579600 0.026530 88 124 ILE N 1.616020 0.024050 89 126 GLY N 1.609570 0.025820 90 127 ASP N 1.580170 0.021800 91 128 ILE N 1.577950 0.023800 92 129 ASP N 1.584930 0.029070 93 130 LEU N 1.574790 0.012050 94 131 THR N 1.661660 0.028570 95 132 SER N 1.527660 0.022030 96 133 ALA N 1.616080 0.010490 97 134 SER N 1.576580 0.015450 98 135 TYR N 1.619940 0.017340 99 136 THR N 1.581220 0.015870 100 137 MET N 1.525960 0.025490 101 138 ILE N 1.578650 0.030400 stop_ save_ save_backbone_15N_T1_900 _Saveframe_category T1_relaxation _Details . loop_ _Software_label $Analysis stop_ loop_ _Sample_label $15N stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 899894229 _T1_coherence_type Sz _T1_value_units s-1 _Mol_system_component_name Galectin-3C _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 3 ILE N 0.858550 0.003670 2 4 VAL N 0.958740 0.005440 3 6 TYR N 1.030080 0.008290 4 7 ASN N 0.864430 0.039150 5 8 LEU N 0.955530 0.005910 6 10 LEU N 0.913770 0.011030 7 13 GLY N 0.966870 0.016690 8 14 VAL N 0.928650 0.011880 9 15 VAL N 0.953290 0.003100 10 17 ARG N 0.949310 0.005170 11 18 MET N 1.037750 0.006940 12 19 LEU N 1.020360 0.010000 13 20 ILE N 1.005540 0.006140 14 22 ILE N 0.988210 0.006840 15 23 LEU N 0.974240 0.005730 16 24 GLY N 0.991640 0.006520 17 25 THR N 0.945560 0.007370 18 27 LYS N 1.018060 0.008580 19 30 ALA N 0.926390 0.010200 20 31 ASN N 0.915260 0.011270 21 33 ILE N 0.929810 0.012410 22 34 ALA N 0.983190 0.006680 23 35 LEU N 0.942220 0.008970 24 36 ASP N 0.900620 0.008190 25 38 GLN N 0.946940 0.011430 26 39 ARG N 0.886770 0.012380 27 42 ASP N 0.874580 0.018320 28 43 VAL N 0.895760 0.013180 29 45 PHE N 1.019410 0.012420 30 46 HIS N 0.973580 0.014330 31 47 PHE N 0.965120 0.011660 32 51 PHE N 0.913360 0.016590 33 55 ASN N 0.930010 0.024370 34 56 ARG N 0.942330 0.016850 35 57 ARG N 0.902060 0.007850 36 58 VAL N 1.002000 0.015740 37 59 ILE N 0.994580 0.011830 38 60 VAL N 0.943940 0.009480 39 61 CYS N 0.915110 0.012390 40 62 ASN N 0.928150 0.014680 41 63 THR N 0.806270 0.017810 42 64 LYS N 0.935670 0.010250 43 65 LEU N 0.888210 0.012370 44 66 ASP N 0.942850 0.013420 45 67 ASN N 0.920490 0.016710 46 68 ASN N 0.845960 0.013700 47 69 TRP N 0.850780 0.042190 48 70 GLY N 0.855870 0.016410 49 71 ARG N 0.918380 0.047850 50 73 GLU N 0.872860 0.016110 51 75 GLN N 0.917000 0.013640 52 77 VAL N 0.935180 0.014920 53 78 PHE N 0.856710 0.037980 54 80 PHE N 0.818080 0.008850 55 82 SER N 0.829450 0.040190 56 83 GLY N 0.940860 0.006930 57 84 LYS N 1.001880 0.006750 58 86 PHE N 1.025980 0.008010 59 87 LYS N 0.967580 0.009400 60 88 ILE N 0.958030 0.005100 61 90 VAL N 0.911080 0.005570 62 91 LEU N 1.010410 0.007500 63 92 VAL N 0.998770 0.003850 64 95 ASP N 0.949820 0.047720 65 96 HIS N 0.953950 0.013290 66 97 PHE N 0.913110 0.012840 67 98 LYS N 0.930720 0.008710 68 100 ALA N 1.009230 0.006200 69 101 VAL N 0.921890 0.008460 70 102 ASN N 1.030130 0.010080 71 103 ASP N 0.994160 0.019350 72 104 ALA N 0.963910 0.010200 73 107 LEU N 1.002540 0.008060 74 108 GLN N 0.974270 0.011130 75 110 ASN N 0.896690 0.017630 76 111 HIS N 0.895150 0.014700 77 112 ARG N 0.808070 0.019580 78 113 VAL N 0.724190 0.019520 79 115 LYS N 0.758390 0.044810 80 116 LEU N 0.959070 0.014640 81 117 ASN N 1.042960 0.025500 82 118 GLU N 0.981270 0.012830 83 119 ILE N 0.955420 0.011310 84 120 SER N 0.863170 0.011260 85 121 LYS N 1.075100 0.010080 86 122 LEU N 0.973320 0.005430 87 123 GLY N 0.981170 0.008830 88 124 ILE N 0.957760 0.006560 89 126 GLY N 1.000910 0.010680 90 127 ASP N 0.924640 0.010020 91 128 ILE N 1.005730 0.005440 92 129 ASP N 0.968820 0.004740 93 130 LEU N 0.948820 0.009270 94 131 THR N 1.014770 0.006540 95 132 SER N 0.978680 0.006610 96 133 ALA N 0.985060 0.012120 97 134 SER N 0.944480 0.008220 98 135 TYR N 0.988020 0.010490 99 136 THR N 0.962170 0.010120 100 137 MET N 0.862390 0.027350 101 138 ILE N 0.962950 0.008190 stop_ save_ save_Arg_Ne_T1_500 _Saveframe_category T1_relaxation _Details . loop_ _Software_label $Analysis stop_ loop_ _Sample_label $15N stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 499260345 _T1_coherence_type Sz _T1_value_units s-1 _Mol_system_component_name Galectin-3C _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 17 ARG NE 1.36364 0.04869 2 50 ARG NE 1.83445 0.03402 3 56 ARG NE 1.71947 0.08705 4 74 ARG NE 1.8116 0.04201 5 112 ARG NE 1.89151 0.04653 stop_ save_ save_Arg_Ne_T1_600 _Saveframe_category T1_relaxation _Details . loop_ _Software_label $Analysis stop_ loop_ _Sample_label $15N stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 599882216 _T1_coherence_type Sz _T1_value_units s-1 _Mol_system_component_name Galectin-3C _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 17 ARG NE 1.04439 0.03993 2 50 ARG NE 1.37938 0.02506 3 56 ARG NE 1.32811 0.04515 4 74 ARG NE 1.3904 0.03215 5 112 ARG NE 1.48314 0.03831 stop_ save_ save_Methyl_T1_500 _Saveframe_category T1_relaxation _Details . loop_ _Software_label $PINT stop_ loop_ _Sample_label $15N-13C-D2O stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 499260345 _T1_coherence_type Sz _T1_value_units s-1 _Mol_system_component_name Galectin-3C _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 LEU CD1 22.138 1.131 2 2 LEU CD2 16.694 0.641 3 3 ILE CD1 13.105 0.286 4 3 ILE CG2 26.504 0.639 5 4 VAL CG2 43.499 2.808 6 8 LEU CD1 24.041 5.398 7 8 LEU CD2 16.463 1.723 8 10 LEU CD1 15.663 2.477 9 14 VAL CG1 38.569 4.549 10 14 VAL CG2 28.181 2.293 11 15 VAL CG2 36.841 1.105 12 18 MET CE 6.366 0.150 13 19 LEU CD2 17.557 0.924 14 20 ILE CD1 7.988 0.443 15 20 ILE CG2 18.489 1.367 16 21 THR CG2 24.505 1.762 17 22 ILE CG2 19.015 1.078 18 23 LEU CD2 18.982 0.739 19 25 THR CG2 35.604 1.624 20 26 VAL CG2 19.355 1.972 21 30 ALA CB 33.473 3.314 22 33 ILE CD1 15.192 1.403 23 33 ILE CG2 21.269 1.294 24 34 ALA CB 31.257 3.376 25 35 LEU CD1 31.313 1.522 26 35 LEU CD2 28.566 2.070 27 43 VAL CG1 21.542 1.320 28 43 VAL CG2 35.889 4.533 29 44 ALA CB 43.586 7.017 30 58 VAL CG1 36.991 2.573 31 58 VAL CG2 40.639 3.158 32 59 ILE CG2 19.061 1.064 33 60 VAL CG1 14.001 1.545 34 60 VAL CG2 40.257 4.858 35 63 THR CG2 21.544 1.615 36 77 VAL CG1 26.135 1.269 37 77 VAL CG2 21.722 0.813 38 88 ILE CG2 18.172 0.955 39 91 LEU CD1 18.433 1.206 40 91 LEU CD2 25.646 3.683 41 92 VAL CG1 18.510 1.734 42 92 VAL CG2 19.432 1.321 43 99 VAL CG1 18.793 1.416 44 99 VAL CG2 18.857 1.406 45 100 ALA CB 21.745 1.208 46 101 VAL CG1 31.050 2.990 47 104 ALA CB 21.943 0.851 48 106 LEU CD1 22.971 1.672 49 113 VAL CG1 24.001 1.993 50 113 VAL CG2 18.442 1.093 51 116 LEU CD1 27.451 3.015 52 116 LEU CD2 33.410 2.789 53 119 ILE CD1 18.145 1.191 54 119 ILE CG2 12.985 0.973 55 122 LEU CD1 13.051 1.531 56 124 ILE CD1 10.599 0.780 57 124 ILE CG2 14.537 1.010 58 130 LEU CD2 18.764 0.768 59 133 ALA CB 55.648 11.818 60 136 THR CG2 27.074 1.304 61 137 MET CE 9.595 0.126 62 138 ILE CD1 9.559 0.299 63 138 ILE CG2 21.990 0.679 stop_ save_ save_Methyl_T1_600 _Saveframe_category T1_relaxation _Details . loop_ _Software_label $PINT stop_ loop_ _Sample_label $15N-13C-D2O stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 599882216 _T1_coherence_type Sz _T1_value_units s-1 _Mol_system_component_name Galectin-3C _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 LEU CD1 18.842 0.971 2 2 LEU CD2 15.136 0.522 3 3 ILE CD1 11.735 0.249 4 3 ILE CG2 22.892 0.493 5 4 VAL CG2 40.619 2.975 6 8 LEU CD1 19.730 2.479 7 8 LEU CD2 15.505 1.603 8 10 LEU CD1 15.088 1.656 9 14 VAL CG1 35.687 4.093 10 14 VAL CG2 27.802 2.575 11 15 VAL CG2 34.020 0.964 12 18 MET CE 5.020 0.135 13 19 LEU CD1 24.853 4.108 14 19 LEU CD2 14.835 0.862 15 20 ILE CD1 6.708 0.361 16 20 ILE CG2 14.498 1.093 17 21 THR CG2 19.459 1.589 18 22 ILE CG2 15.291 0.961 19 23 LEU CD2 17.636 0.525 20 25 THR CG2 31.708 1.369 21 26 VAL CG2 16.175 1.479 22 30 ALA CB 33.566 3.388 23 33 ILE CD1 10.321 1.239 24 33 ILE CG2 18.083 1.183 25 34 ALA CB 31.312 3.926 26 35 LEU CD1 28.499 1.182 27 35 LEU CD2 27.403 1.522 28 43 VAL CG1 18.961 1.167 29 43 VAL CG2 47.603 5.775 30 44 ALA CB 44.115 8.658 31 58 VAL CG1 33.356 2.255 32 58 VAL CG2 41.160 3.027 33 59 ILE CG2 15.020 0.948 34 60 VAL CG1 15.472 2.014 35 60 VAL CG2 35.436 3.942 36 63 THR CG2 21.122 2.655 37 77 VAL CG1 25.199 1.106 38 77 VAL CG2 17.032 0.678 39 88 ILE CG2 14.344 0.802 40 91 LEU CD1 14.864 0.799 41 91 LEU CD2 18.899 1.520 42 92 VAL CG1 18.901 1.293 43 92 VAL CG2 13.207 0.938 44 99 VAL CG1 21.136 1.598 45 99 VAL CG2 15.045 1.111 46 100 ALA CB 23.585 1.342 47 101 VAL CG1 32.779 3.074 48 104 ALA CB 18.147 0.800 49 106 LEU CD1 30.628 4.413 50 113 VAL CG1 22.856 1.549 51 113 VAL CG2 16.824 0.907 52 116 LEU CD1 25.590 2.601 53 116 LEU CD2 28.311 2.160 54 119 ILE CD1 13.934 1.011 55 119 ILE CG2 13.187 1.203 56 122 LEU CD1 12.906 1.917 57 122 LEU CD2 21.590 3.848 58 124 ILE CD1 9.263 0.631 59 124 ILE CG2 12.820 0.931 60 130 LEU CD2 16.329 0.724 61 133 ALA CB 37.039 3.149 62 136 THR CG2 24.745 1.120 63 137 MET CE 7.786 0.149 64 138 ILE CD1 8.371 0.272 65 138 ILE CG2 19.593 0.609 stop_ save_ save_backbone_15N_T2_500 _Saveframe_category T2_relaxation _Details . loop_ _Software_label $Analysis stop_ loop_ _Sample_label $15N stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 499260345 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name Galectin-3C _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 3 ILE N 7.777690 0.155600 . . 2 4 VAL N 7.968090 0.132000 . . 3 6 TYR N 9.288690 0.097600 . . 4 7 ASN N 9.897040 0.230490 . . 5 8 LEU N 8.743680 0.145040 . . 6 10 LEU N 8.968560 0.225060 . . 7 13 GLY N 9.523280 0.225980 . . 8 14 VAL N 8.495300 0.133760 . . 9 15 VAL N 9.511850 0.283670 . . 10 17 ARG N 9.450060 0.193750 . . 11 18 MET N 9.117470 0.097030 . . 12 19 LEU N 9.921380 0.117820 . . 13 20 ILE N 9.411590 0.204830 . . 14 22 ILE N 9.268050 0.161740 . . 15 23 LEU N 9.094140 0.166970 . . 16 24 GLY N 9.095050 0.184310 . . 17 25 THR N 9.046380 0.104340 . . 18 27 LYS N 10.018080 0.142620 . . 19 30 ALA N 8.513800 0.129340 . . 20 31 ASN N 9.179720 0.175710 . . 21 33 ILE N 9.176310 0.111720 . . 22 34 ALA N 9.473230 0.127450 . . 23 35 LEU N 9.601100 0.286700 . . 24 36 ASP N 9.094910 0.142480 . . 25 38 GLN N 9.071420 0.101760 . . 26 39 ARG N 9.807170 0.206660 . . 27 42 ASP N 10.076180 0.177390 . . 28 43 VAL N 9.775900 0.087540 . . 29 45 PHE N 9.672850 0.252580 . . 30 46 HIS N 9.757220 0.214050 . . 31 47 PHE N 8.599510 0.155200 . . 32 51 PHE N 9.663290 0.225300 . . 33 55 ASN N 9.653490 0.175310 . . 34 56 ARG N 8.576030 0.158020 . . 35 57 ARG N 8.480310 0.158320 . . 36 58 VAL N 9.106450 0.124340 . . 37 59 ILE N 9.489300 0.145520 . . 38 60 VAL N 9.528370 0.195910 . . 39 61 CYS N 9.998420 0.223560 . . 40 62 ASN N 9.824950 0.222100 . . 41 63 THR N 9.473990 0.164540 . . 42 64 LYS N 9.621710 0.124560 . . 43 65 LEU N 9.681590 0.108700 . . 44 66 ASP N 9.359520 0.133970 . . 45 67 ASN N 10.222510 0.139570 . . 46 68 ASN N 9.314350 0.107800 . . 47 69 TRP N 10.864370 0.383820 . . 48 70 GLY N 9.361000 0.227930 . . 49 71 ARG N 12.097920 0.310720 . . 50 73 GLU N 9.318270 0.268910 . . 51 75 GLN N 9.332320 0.202030 . . 52 77 VAL N 11.251590 0.227020 . . 53 78 PHE N 10.899950 0.213270 . . 54 80 PHE N 7.089190 0.111300 . . 55 82 SER N 10.065750 0.505680 . . 56 83 GLY N 9.514860 0.337910 . . 57 84 LYS N 8.958100 0.195570 . . 58 86 PHE N 8.938270 0.137540 . . 59 87 LYS N 9.113130 0.170910 . . 60 88 ILE N 8.927960 0.222490 . . 61 90 VAL N 9.486920 0.140860 . . 62 91 LEU N 9.432700 0.177330 . . 63 92 VAL N 9.808250 0.247990 . . 64 95 ASP N 13.087840 0.373330 . . 65 96 HIS N 11.292230 0.276000 . . 66 97 PHE N 9.801760 0.226140 . . 67 98 LYS N 13.082280 0.265180 . . 68 100 ALA N 9.409180 0.126060 . . 69 101 VAL N 9.356020 0.239700 . . 70 102 ASN N 9.033960 0.266590 . . 71 103 ASP N 9.647850 0.159200 . . 72 104 ALA N 9.026220 0.189090 . . 73 107 LEU N 13.595290 0.424070 . . 74 108 GLN N 9.834400 0.161860 . . 75 110 ASN N 10.165740 0.101410 . . 76 111 HIS N 10.272500 0.280190 . . 77 112 ARG N 10.495870 0.351130 . . 78 113 VAL N 9.451080 0.355050 . . 79 115 LYS N 11.406840 0.799800 . . 80 116 LEU N 9.096630 0.156480 . . 81 117 ASN N 10.163020 0.209250 . . 82 118 GLU N 9.315770 0.180800 . . 83 119 ILE N 9.713240 0.146170 . . 84 120 SER N 8.277050 0.120180 . . 85 121 LYS N 9.529110 0.159960 . . 86 122 LEU N 9.362840 0.162750 . . 87 123 GLY N 8.981250 0.130690 . . 88 124 ILE N 8.940870 0.126150 . . 89 126 GLY N 9.205940 0.220410 . . 90 127 ASP N 8.846260 0.152740 . . 91 128 ILE N 9.233610 0.261570 . . 92 129 ASP N 8.706950 0.199890 . . 93 130 LEU N 8.454440 0.185710 . . 94 131 THR N 9.506910 0.160600 . . 95 132 SER N 9.256800 0.188800 . . 96 133 ALA N 9.612910 0.147630 . . 97 134 SER N 9.065140 0.184950 . . 98 135 TYR N 9.150320 0.117920 . . 99 136 THR N 9.222820 0.146110 . . 100 137 MET N 9.050010 0.156900 . . 101 138 ILE N 8.960730 0.105190 . . stop_ save_ save_backbone_15N_T2_600 _Saveframe_category T2_relaxation _Details . loop_ _Software_label $Analysis stop_ loop_ _Sample_label $15N stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 599882216 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name Galectin-3C _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 3 ILE N 8.091210 0.050490 . . 2 4 VAL N 8.759420 0.074410 . . 3 6 TYR N 9.570280 0.286760 . . 4 7 ASN N 10.236250 0.068840 . . 5 8 LEU N 9.611910 0.084870 . . 6 10 LEU N 9.194070 0.103810 . . 7 13 GLY N 10.011690 0.081770 . . 8 14 VAL N 9.302670 0.116620 . . 9 15 VAL N 10.407460 0.128880 . . 10 17 ARG N 9.722400 0.179170 . . 11 18 MET N 10.252070 0.062410 . . 12 19 LEU N 10.072270 0.128240 . . 13 20 ILE N 9.924700 0.144740 . . 14 22 ILE N 9.711310 0.100790 . . 15 23 LEU N 10.041580 0.158880 . . 16 24 GLY N 9.480930 0.138420 . . 17 25 THR N 9.715880 0.086690 . . 18 27 LYS N 10.599910 0.234740 . . 19 30 ALA N 8.808650 0.119960 . . 20 31 ASN N 9.404210 0.124840 . . 21 33 ILE N 9.577690 0.118910 . . 22 34 ALA N 9.662310 0.265150 . . 23 35 LEU N 10.234300 0.245500 . . 24 36 ASP N 9.339810 0.108050 . . 25 38 GLN N 9.631080 0.191100 . . 26 39 ARG N 9.714350 0.166480 . . 27 42 ASP N 10.518480 0.233900 . . 28 43 VAL N 9.938380 0.170790 . . 29 45 PHE N 9.757520 0.208900 . . 30 46 HIS N 9.993660 0.088650 . . 31 47 PHE N 9.900080 0.149400 . . 32 51 PHE N 9.994670 0.199080 . . 33 55 ASN N 9.477750 0.198370 . . 34 56 ARG N 8.978170 0.077750 . . 35 57 ARG N 8.821170 0.134490 . . 36 58 VAL N 9.829640 0.152200 . . 37 59 ILE N 9.549350 0.119430 . . 38 60 VAL N 10.001140 0.089010 . . 39 61 CYS N 10.071020 0.256070 . . 40 62 ASN N 9.903280 0.189030 . . 41 63 THR N 9.733590 0.217280 . . 42 64 LYS N 10.269020 0.166950 . . 43 65 LEU N 9.915230 0.179260 . . 44 66 ASP N 10.029260 0.167280 . . 45 67 ASN N 10.678340 0.176510 . . 46 68 ASN N 9.445670 0.258440 . . 47 69 TRP N 10.824860 0.202880 . . 48 70 GLY N 9.925220 0.180930 . . 49 71 ARG N 12.083740 0.254130 . . 50 73 GLU N 9.970820 0.125720 . . 51 75 GLN N 9.667970 0.126860 . . 52 77 VAL N 12.934440 0.159180 . . 53 78 PHE N 10.964120 0.293150 . . 54 80 PHE N 7.859390 0.158030 . . 55 82 SER N 10.647460 0.334200 . . 56 83 GLY N 9.559900 0.070020 . . 57 84 LYS N 10.051480 0.158640 . . 58 86 PHE N 9.438730 0.114070 . . 59 87 LYS N 9.991810 0.100980 . . 60 88 ILE N 9.757950 0.118640 . . 61 90 VAL N 10.253560 0.199850 . . 62 91 LEU N 9.928130 0.106380 . . 63 92 VAL N 10.348450 0.156100 . . 64 95 ASP N 13.586960 0.281770 . . 65 96 HIS N 12.130310 0.205310 . . 66 97 PHE N 9.915450 0.158320 . . 67 98 LYS N 15.362890 0.265800 . . 68 100 ALA N 9.968780 0.133180 . . 69 101 VAL N 10.516040 0.173520 . . 70 102 ASN N 9.862530 0.162850 . . 71 103 ASP N 11.039050 0.161350 . . 72 104 ALA N 9.263340 0.116350 . . 73 107 LEU N 14.849620 0.218300 . . 74 108 GLN N 11.034370 0.096830 . . 75 110 ASN N 10.440560 0.136570 . . 76 111 HIS N 10.053690 0.175640 . . 77 112 ARG N 10.188760 0.201270 . . 78 113 VAL N 9.709360 0.090570 . . 79 115 LYS N 10.407680 0.370080 . . 80 116 LEU N 9.520060 0.168970 . . 81 117 ASN N 10.557480 0.118350 . . 82 118 GLU N 9.630300 0.087630 . . 83 119 ILE N 10.151090 0.124750 . . 84 120 SER N 8.465860 0.139460 . . 85 121 LYS N 10.511080 0.083990 . . 86 122 LEU N 9.621810 0.099110 . . 87 123 GLY N 10.059130 0.095700 . . 88 124 ILE N 9.381090 0.131290 . . 89 126 GLY N 9.616200 0.144930 . . 90 127 ASP N 9.626450 0.076280 . . 91 128 ILE N 9.940140 0.110520 . . 92 129 ASP N 9.436280 0.086190 . . 93 130 LEU N 9.117290 0.118410 . . 94 131 THR N 10.444940 0.147020 . . 95 132 SER N 9.609000 0.135510 . . 96 133 ALA N 9.893240 0.271590 . . 97 134 SER N 9.594590 0.082630 . . 98 135 TYR N 9.867490 0.080610 . . 99 136 THR N 9.819400 0.169040 . . 100 137 MET N 9.338420 0.260240 . . 101 138 ILE N 9.213270 0.079490 . . stop_ save_ save_backbone_15N_T2_900 _Saveframe_category T2_relaxation _Details . loop_ _Software_label $Analysis stop_ loop_ _Sample_label $15N stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 899894229 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name Galectin-3C _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 3 ILE N 9.300300 0.125870 . . 2 4 VAL N 10.006520 0.089970 . . 3 6 TYR N 11.426010 0.212940 . . 4 7 ASN N 9.638180 0.833260 . . 5 8 LEU N 11.227580 0.206900 . . 6 10 LEU N 10.088660 0.196130 . . 7 13 GLY N 11.463170 0.489400 . . 8 14 VAL N 11.170650 0.377750 . . 9 15 VAL N 13.416400 0.238770 . . 10 17 ARG N 11.058710 0.362540 . . 11 18 MET N 12.225900 0.216900 . . 12 19 LEU N 13.091910 0.335950 . . 13 20 ILE N 11.295280 0.264740 . . 14 22 ILE N 11.330880 0.218450 . . 15 23 LEU N 11.494230 0.290810 . . 16 24 GLY N 11.387570 0.156330 . . 17 25 THR N 10.775950 0.251200 . . 18 27 LYS N 13.130700 0.196110 . . 19 30 ALA N 10.862790 0.466900 . . 20 31 ASN N 10.596970 0.298220 . . 21 33 ILE N 10.908360 0.269490 . . 22 34 ALA N 11.636020 0.235040 . . 23 35 LEU N 11.274510 0.254020 . . 24 36 ASP N 10.297840 0.233970 . . 25 38 GLN N 10.926220 0.359730 . . 26 39 ARG N 10.916180 0.426480 . . 27 42 ASP N 11.746110 0.801730 . . 28 43 VAL N 10.897170 0.462000 . . 29 45 PHE N 11.606400 0.381100 . . 30 46 HIS N 12.546540 0.550640 . . 31 47 PHE N 11.238860 0.293460 . . 32 51 PHE N 11.211890 0.406150 . . 33 55 ASN N 9.872920 0.787810 . . 34 56 ARG N 10.535540 0.512420 . . 35 57 ARG N 10.222600 0.305560 . . 36 58 VAL N 11.077380 0.356820 . . 37 59 ILE N 10.632860 0.259940 . . 38 60 VAL N 11.260970 0.363220 . . 39 61 CYS N 10.977950 0.461390 . . 40 62 ASN N 11.232570 0.640240 . . 41 63 THR N 10.110230 0.752110 . . 42 64 LYS N 11.541100 0.392460 . . 43 65 LEU N 11.355810 0.491030 . . 44 66 ASP N 11.089820 0.534290 . . 45 67 ASN N 12.484680 0.545550 . . 46 68 ASN N 11.289800 0.541810 . . 47 69 TRP N 10.886470 0.990350 . . 48 70 GLY N 10.220150 0.581860 . . 49 71 ARG N 13.093050 1.265980 . . 50 73 GLU N 10.152950 0.582940 . . 51 75 GLN N 10.578920 0.524860 . . 52 77 VAL N 16.702630 0.733000 . . 53 78 PHE N 10.986490 0.982970 . . 54 80 PHE N 9.200490 0.354140 . . 55 82 SER N 9.848590 1.153630 . . 56 83 GLY N 10.799610 0.356070 . . 57 84 LYS N 12.139800 0.245390 . . 58 86 PHE N 11.326020 0.218840 . . 59 87 LYS N 10.935000 0.223260 . . 60 88 ILE N 11.133340 0.275780 . . 61 90 VAL N 11.914690 0.210130 . . 62 91 LEU N 11.676600 0.153880 . . 63 92 VAL N 13.638630 0.200100 . . 64 95 ASP N 20.931310 1.756120 . . 65 96 HIS N 16.733760 0.622680 . . 66 97 PHE N 11.400860 0.444850 . . 67 98 LYS N 23.457290 0.701730 . . 68 100 ALA N 11.796660 0.173110 . . 69 101 VAL N 11.779630 0.231820 . . 70 102 ASN N 11.791160 0.329750 . . 71 103 ASP N 12.732730 0.617670 . . 72 104 ALA N 10.623340 0.382530 . . 73 107 LEU N 17.491670 0.357510 . . 74 108 GLN N 13.319880 0.442270 . . 75 110 ASN N 11.893800 0.624790 . . 76 111 HIS N 11.414100 0.647350 . . 77 112 ARG N 10.310740 1.009660 . . 78 113 VAL N 9.234740 0.725460 . . 79 115 LYS N 9.539170 1.308770 . . 80 116 LEU N 10.406510 0.407310 . . 81 117 ASN N 11.336090 0.707070 . . 82 118 GLU N 11.225950 0.533810 . . 83 119 ILE N 11.282190 0.378940 . . 84 120 SER N 9.575300 0.401260 . . 85 121 LYS N 13.002720 0.280600 . . 86 122 LEU N 11.142830 0.111680 . . 87 123 GLY N 11.222720 0.225750 . . 88 124 ILE N 11.410000 0.378550 . . 89 126 GLY N 11.021480 0.254230 . . 90 127 ASP N 10.803300 0.231570 . . 91 128 ILE N 11.307990 0.244750 . . 92 129 ASP N 10.808950 0.187820 . . 93 130 LEU N 10.370840 0.390180 . . 94 131 THR N 12.154640 0.239320 . . 95 132 SER N 11.006620 0.244480 . . 96 133 ALA N 11.157440 0.479070 . . 97 134 SER N 11.097480 0.350060 . . 98 135 TYR N 11.060670 0.485640 . . 99 136 THR N 11.379740 0.325440 . . 100 137 MET N 9.672000 0.628180 . . 101 138 ILE N 10.576780 0.373010 . . stop_ save_ save_Arg_Ne_T2_500 _Saveframe_category T2_relaxation _Details . loop_ _Software_label $Analysis stop_ loop_ _Sample_label $15N stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 499260345 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name Galectin-3C _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 17 ARG NE 5.24018 0.40466 . . 2 50 ARG NE 9.1903 0.2976 . . 3 56 ARG NE 7.1916 0.21728 . . 4 74 ARG NE 8.98985 0.23963 . . 5 112 ARG NE 8.98919 0.20241 . . stop_ save_ save_Arg_Ne_T2_600 _Saveframe_category T2_relaxation _Details . loop_ _Software_label $Analysis stop_ loop_ _Sample_label $15N stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 599882216 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name Galectin-3C _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 17 ARG NE 7.52788 0.20582 . . 2 50 ARG NE 9.88532 0.20571 . . 3 56 ARG NE 7.76733 0.17886 . . 4 74 ARG NE 8.84927 0.22253 . . 5 112 ARG NE 9.72937 0.34169 . . stop_ save_ save_Methyl_T2_500 _Saveframe_category T2_relaxation _Details . loop_ _Software_label $PINT stop_ loop_ _Sample_label $15N-13C-D2O stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 499260345 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name Galectin-3C _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 2 LEU CD1 74.282 3.536 . . 2 2 LEU CD2 70.647 2.630 . . 3 3 ILE CD1 33.778 1.081 . . 4 3 ILE CG2 69.455 1.652 . . 5 4 VAL CG2 115.839 5.135 . . 6 8 LEU CD1 120.000 15.379 . . 7 8 LEU CD2 85.389 9.928 . . 8 10 LEU CD1 102.300 13.227 . . 9 14 VAL CG1 116.674 8.793 . . 10 14 VAL CG2 119.982 8.683 . . 11 15 VAL CG2 62.855 1.965 . . 12 18 MET CE 53.590 0.893 . . 13 19 LEU CD2 77.569 3.900 . . 14 20 ILE CD1 43.209 2.209 . . 15 20 ILE CG2 107.307 7.050 . . 16 21 THR CG2 116.391 6.807 . . 17 22 ILE CG2 110.274 5.781 . . 18 23 LEU CD2 53.890 2.469 . . 19 25 THR CG2 93.431 3.686 . . 20 26 VAL CG1 190.807 41.775 . . 21 26 VAL CG2 94.993 7.368 . . 22 30 ALA CB 120.503 9.679 . . 23 33 ILE CD1 117.387 9.135 . . 24 33 ILE CG2 98.714 4.873 . . 25 34 ALA CB 131.358 14.763 . . 26 35 LEU CD1 51.836 2.557 . . 27 35 LEU CD2 62.686 3.858 . . 28 43 VAL CG1 101.528 5.967 . . 29 43 VAL CG2 158.132 14.386 . . 30 44 ALA CB 152.937 19.253 . . 31 58 VAL CG1 72.821 4.566 . . 32 58 VAL CG2 94.442 5.768 . . 33 59 ILE CG2 96.736 4.521 . . 34 60 VAL CG1 109.973 9.959 . . 35 60 VAL CG2 133.178 12.551 . . 36 63 THR CG2 133.131 9.758 . . 37 77 VAL CG1 93.504 4.573 . . 38 77 VAL CG2 92.891 3.500 . . 39 88 ILE CG2 107.886 4.740 . . 40 91 LEU CD1 76.092 4.960 . . 41 91 LEU CD2 58.771 10.600 . . 42 92 VAL CG1 112.648 8.959 . . 43 92 VAL CG2 106.271 6.347 . . 44 99 VAL CG1 110.336 7.427 . . 45 99 VAL CG2 120.038 8.331 . . 46 100 ALA CB 119.379 5.638 . . 47 101 VAL CG1 122.756 8.333 . . 48 104 ALA CB 108.822 4.651 . . 49 106 LEU CD1 158.553 23.242 . . 50 106 LEU CD2 172.533 36.743 . . 51 113 VAL CG1 122.542 8.254 . . 52 113 VAL CG2 113.959 4.578 . . 53 116 LEU CD1 112.715 10.750 . . 54 116 LEU CD2 85.712 6.718 . . 55 119 ILE CD1 77.165 4.596 . . 56 119 ILE CG2 98.751 6.586 . . 57 122 LEU CD1 80.091 9.197 . . 58 122 LEU CD2 92.848 13.710 . . 59 124 ILE CD1 60.556 3.703 . . 60 124 ILE CG2 111.448 6.373 . . 61 130 LEU CD2 52.213 2.113 . . 62 133 ALA CB 133.339 8.521 . . 63 136 THR CG2 85.200 3.973 . . 64 137 MET CE 57.307 0.725 . . 65 138 ILE CD1 49.151 1.651 . . 66 138 ILE CG2 77.311 2.302 . . stop_ save_ save_Methyl_T2_600 _Saveframe_category T2_relaxation _Details . loop_ _Software_label $PINT stop_ loop_ _Sample_label $15N-13C-D2O stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 499260345 _T2_coherence_type S(+,-) _T2_value_units s-1 _Mol_system_component_name Galectin-3C _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 2 LEU CD1 70.976 2.821 . . 2 2 LEU CD2 64.674 1.772 . . 3 3 ILE CD1 34.218 0.770 . . 4 3 ILE CG2 69.448 1.310 . . 5 4 VAL CG2 106.407 5.285 . . 6 8 LEU CD1 91.696 9.570 . . 7 8 LEU CD2 82.341 6.054 . . 8 10 LEU CD1 77.308 6.422 . . 9 14 VAL CG1 127.694 8.709 . . 10 14 VAL CG2 104.699 5.733 . . 11 15 VAL CG2 63.291 1.375 . . 12 18 MET CE 53.661 0.822 . . 13 19 LEU CD1 95.296 12.111 . . 14 19 LEU CD2 72.001 2.815 . . 15 20 ILE CD1 41.140 1.611 . . 16 20 ILE CG2 100.816 5.783 . . 17 21 THR CG2 102.527 6.463 . . 18 22 ILE CG2 103.965 4.431 . . 19 23 LEU CD2 54.095 1.398 . . 20 25 THR CG2 90.110 3.198 . . 21 26 VAL CG1 162.705 27.147 . . 22 26 VAL CG2 101.118 6.635 . . 23 30 ALA CB 128.146 8.037 . . 24 33 ILE CD1 93.132 6.341 . . 25 33 ILE CG2 90.481 3.964 . . 26 34 ALA CB 140.615 11.446 . . 27 35 LEU CD1 53.135 1.783 . . 28 35 LEU CD2 57.455 2.388 . . 29 43 VAL CG1 117.423 5.012 . . 30 43 VAL CG2 114.382 8.921 . . 31 44 ALA CB 132.555 12.018 . . 32 58 VAL CG1 75.380 3.165 . . 33 58 VAL CG2 98.577 4.334 . . 34 59 ILE CG2 111.778 4.801 . . 35 60 VAL CG1 105.124 8.671 . . 36 60 VAL CG2 111.838 9.173 . . 37 63 THR CG2 102.014 10.351 . . 38 77 VAL CG1 92.300 2.980 . . 39 77 VAL CG2 83.923 2.483 . . 40 88 ILE CG2 97.823 3.708 . . 41 91 LEU CD1 78.234 3.077 . . 42 91 LEU CD2 91.371 5.150 . . 43 92 VAL CG1 113.208 5.791 . . 44 92 VAL CG2 112.698 5.659 . . 45 99 VAL CG1 109.961 5.566 . . 46 99 VAL CG2 101.117 5.194 . . 47 100 ALA CB 121.303 5.059 . . 48 101 VAL CG1 113.930 7.001 . . 49 104 ALA CB 106.389 3.734 . . 50 106 LEU CD1 112.250 11.458 . . 51 106 LEU CD2 148.300 21.156 . . 52 107 LEU CD1 101.889 15.738 . . 53 113 VAL CG1 99.820 4.627 . . 54 113 VAL CG2 98.054 3.898 . . 55 116 LEU CD1 94.521 6.031 . . 56 116 LEU CD2 89.733 5.750 . . 57 119 ILE CD1 87.585 4.544 . . 58 119 ILE CG2 99.431 5.689 . . 59 122 LEU CD1 83.560 6.943 . . 60 122 LEU CD2 95.633 11.283 . . 61 124 ILE CD1 65.529 2.709 . . 62 124 ILE CG2 103.099 4.791 . . 63 130 LEU CD2 75.953 2.844 . . 64 133 ALA CB 118.327 6.342 . . 65 136 THR CG2 90.276 3.092 . . 66 137 MET CE 55.493 0.762 . . 67 138 ILE CD1 46.199 1.143 . . 68 138 ILE CG2 76.128 1.776 . . stop_ save_ save_backbone_Het_NOE_500 _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $Analysis stop_ loop_ _Experiment_label '{H}-15N NOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 499260345 _Mol_system_component_name Galectin-3C _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 3 ILE 0.643054 0.045508 4 VAL 0.619180 0.044565 6 TYR 0.670163 0.060097 7 ASN 0.645160 0.069016 8 LEU 0.714445 0.063233 10 LEU 0.684510 0.059621 13 GLY 0.688426 0.051772 14 VAL 0.610211 0.052634 15 VAL 0.741359 0.067782 17 ARG 0.672080 0.073424 18 MET 0.719970 0.053468 19 LEU 0.747069 0.080762 20 ILE 0.715884 0.056744 22 ILE 0.804386 0.056470 23 LEU 0.760310 0.062996 24 GLY 0.697684 0.048065 25 THR 0.727876 0.059204 27 LYS 0.803595 0.075661 30 ALA 0.622813 0.039901 31 ASN 0.780052 0.071676 33 ILE 0.768679 0.070580 34 ALA 0.617323 0.052902 35 LEU 0.755145 0.073669 36 ASP 0.796710 0.071063 38 GLN 0.768359 0.066008 39 ARG 0.687536 0.059377 42 ASP 0.766720 0.059717 43 VAL 0.586174 0.068179 45 PHE 0.780113 0.053254 46 HIS 0.873216 0.099731 47 PHE 0.748912 0.072461 51 PHE 0.650521 0.066133 55 ASN 0.799072 0.059101 56 ARG 0.717031 0.042318 57 ARG 0.651298 0.053275 58 VAL 0.612410 0.051212 59 ILE 0.635877 0.047792 60 VAL 0.731734 0.063082 61 CYS 0.654370 0.067188 62 ASN 0.617689 0.056490 63 THR 0.773824 0.057352 64 LYS 0.775211 0.089713 65 LEU 0.669008 0.049005 66 ASP 0.688309 0.045295 67 ASN 0.607137 0.055075 68 ASN 0.714826 0.042519 69 TRP 0.672789 0.062249 70 GLY 0.764162 0.065365 71 ARG 0.741323 0.069903 74 ARG 0.720133 0.076451 75 GLN 0.620319 0.060271 77 VAL 0.743327 0.062184 78 PHE 0.680953 0.066898 80 PHE 0.613035 0.045711 82 SER 0.600268 0.073648 83 GLY 0.754536 0.069543 84 LYS 0.738092 0.050919 86 PHE 0.724682 0.057430 87 LYS 0.778496 0.061106 88 ILE 0.778821 0.055803 90 VAL 0.818225 0.063495 91 LEU 0.786348 0.073130 92 VAL 0.759209 0.077274 95 ASP 0.829872 0.097821 96 HIS 0.796832 0.071889 97 PHE 0.716910 0.069841 98 LYS 0.751419 0.061104 100 ALA 0.699125 0.059785 101 VAL 0.648388 0.061572 102 ASN 0.696409 0.052515 103 ASP 0.630799 0.057581 104 ALA 0.734475 0.041175 107 LEU 0.691395 0.057244 108 GLN 0.602012 0.056421 110 ASN 0.721893 0.061064 111 HIS 0.759836 0.063041 112 ARG 0.617750 0.084287 113 VAL 0.846653 0.102034 115 LYS 0.439849 0.102802 116 LEU 0.863469 0.070870 117 ASN 0.623683 0.045892 118 GLU 0.702497 0.051004 119 ILE 0.680313 0.050082 120 SER 0.671323 0.056984 121 LYS 0.663285 0.046565 122 LEU 0.730909 0.065624 123 GLY 0.718249 0.063528 124 ILE 0.653551 0.067846 126 GLY 0.756173 0.075874 127 ASP 0.671280 0.060254 128 ILE 0.736644 0.059025 129 ASP 0.691524 0.066214 130 LEU 0.656413 0.056807 131 THR 0.636543 0.077756 132 SER 0.759724 0.053392 133 ALA 0.656953 0.052165 134 SER 0.800685 0.061303 135 TYR 0.720204 0.049929 136 THR 0.737515 0.057188 137 MET 0.741629 0.056298 138 ILE 0.645134 0.059220 stop_ save_ save_backbone_Het_NOE_600 _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $Analysis stop_ loop_ _Experiment_label '{H}-15N NOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 599882216 _Mol_system_component_name Galectin-3C _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 3 ILE 0.689251 0.037346 4 VAL 0.678047 0.036705 6 TYR 0.753013 0.042390 7 ASN 0.762678 0.049434 8 LEU 0.809258 0.049886 10 LEU 0.793008 0.042882 13 GLY 0.829205 0.043633 14 VAL 0.735551 0.039243 15 VAL 0.660953 0.040055 17 ARG 0.673248 0.045143 18 MET 0.815780 0.041778 19 LEU 0.839560 0.054071 20 ILE 0.769214 0.047381 22 ILE 0.817222 0.045556 23 LEU 0.818312 0.043190 24 GLY 0.754309 0.033398 25 THR 0.766201 0.039038 27 LYS 0.827499 0.055913 30 ALA 0.631331 0.029518 31 ASN 0.821949 0.055986 33 ILE 0.824356 0.052022 34 ALA 0.730538 0.037072 35 LEU 0.827813 0.060651 36 ASP 0.787827 0.039878 38 GLN 0.774292 0.048229 39 ARG 0.835895 0.055525 42 ASP 0.745333 0.042091 43 VAL 0.737868 0.049278 45 PHE 0.748682 0.040291 46 HIS 0.821361 0.058528 47 PHE 0.829200 0.053706 51 PHE 0.762986 0.066462 55 ASN 0.844867 0.047233 56 ARG 0.787619 0.035239 57 ARG 0.773734 0.046123 58 VAL 0.792446 0.043268 59 ILE 0.784937 0.044284 60 VAL 0.769610 0.044035 61 CYS 0.760115 0.046917 62 ASN 0.774363 0.042901 63 THR 0.839812 0.052341 64 LYS 0.859124 0.054955 65 LEU 0.869894 0.049849 66 ASP 0.819466 0.040755 67 ASN 0.800882 0.044115 68 ASN 0.765832 0.034066 69 TRP 0.785773 0.049349 70 GLY 0.751471 0.046021 71 ARG 0.823142 0.048719 73 GLU 0.808296 0.049646 75 GLN 0.791114 0.051026 77 VAL 0.861896 0.052934 78 PHE 0.798642 0.062490 80 PHE 0.834905 0.049945 82 SER 0.780226 0.063746 83 GLY 0.756492 0.045687 84 LYS 0.669713 0.029681 86 PHE 0.746745 0.039348 87 LYS 0.769050 0.047412 88 ILE 0.787771 0.040624 90 VAL 0.769828 0.046063 91 LEU 0.841875 0.055956 92 VAL 0.793488 0.049274 95 ASP 0.713813 0.068816 96 HIS 0.734640 0.042756 97 PHE 0.824682 0.054239 98 LYS 0.746273 0.049166 100 ALA 0.840689 0.044255 101 VAL 0.812853 0.048295 102 ASN 0.787908 0.046364 103 ASP 0.784758 0.045107 104 ALA 0.841231 0.039372 107 LEU 0.860726 0.060658 108 GLN 0.814899 0.045665 110 ASN 0.766472 0.043686 111 HIS 0.892743 0.046126 112 ARG 0.781050 0.065324 113 VAL 0.773104 0.060073 115 LYS 0.625740 0.069638 116 LEU 0.752185 0.049185 117 ASN 0.744218 0.042113 118 GLU 0.805905 0.049754 119 ILE 0.842637 0.044457 120 SER 0.717162 0.046184 121 LYS 0.835316 0.040607 122 LEU 0.805300 0.046134 123 GLY 0.750625 0.045074 124 ILE 0.774745 0.049371 126 GLY 0.853493 0.056943 127 ASP 0.812382 0.046078 128 ILE 0.849222 0.047932 129 ASP 0.818682 0.045909 130 LEU 0.721281 0.042313 131 THR 0.742922 0.053993 132 SER 0.867422 0.045002 133 ALA 0.790373 0.043161 134 SER 0.750672 0.037802 135 TYR 0.776573 0.039660 136 THR 0.860070 0.048018 137 MET 0.802688 0.044096 138 ILE 0.755320 0.040794 stop_ save_ save_backbone_Het_NOE_900 _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $Analysis stop_ loop_ _Experiment_label '{H}-15N NOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 899894229 _Mol_system_component_name Galectin-3C _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 3 ILE 0.703713 0.010358 4 VAL 0.752118 0.011962 6 TYR 0.880621 0.016384 7 ASN 0.854386 0.016377 8 LEU 0.858915 0.016435 10 LEU 0.826619 0.014483 13 GLY 0.851599 0.013380 14 VAL 0.794707 0.013920 15 VAL 0.786626 0.013165 17 ARG 0.872038 0.017301 18 MET 0.868800 0.013612 19 LEU 0.819587 0.017362 20 ILE 0.856672 0.016642 22 ILE 0.832483 0.014079 23 LEU 0.830006 0.014054 24 GLY 0.858944 0.011992 25 THR 0.829389 0.013336 27 LYS 0.868490 0.017570 30 ALA 0.758923 0.009903 31 ASN 0.884883 0.021509 33 ILE 0.866445 0.015061 34 ALA 0.876217 0.013960 35 LEU 0.838600 0.018700 36 ASP 0.839535 0.013360 38 GLN 0.840200 0.015821 39 ARG 0.825764 0.015915 42 ASP 0.854115 0.014530 43 VAL 0.821436 0.019616 45 PHE 0.884885 0.014517 46 HIS 0.827802 0.024444 47 PHE 0.871157 0.017449 51 PHE 0.843465 0.018065 55 ASN 0.795440 0.013992 56 ARG 0.801172 0.010867 57 ARG 0.800481 0.013264 58 VAL 0.833262 0.013592 59 ILE 0.860726 0.014555 60 VAL 0.847687 0.016782 61 CYS 0.882627 0.018091 62 ASN 0.844880 0.013455 63 THR 0.834045 0.018931 64 LYS 0.838815 0.017784 65 LEU 0.823043 0.013665 66 ASP 0.837288 0.013311 67 ASN 0.837847 0.016780 68 ASN 0.812079 0.010326 69 TRP 0.880091 0.016431 70 GLY 0.843484 0.014595 71 ARG 0.873293 0.017278 73 GLU 0.839507 0.016572 75 GLN 0.817956 0.014919 77 VAL 0.814970 0.015208 78 PHE 0.865531 0.019173 80 PHE 0.771663 0.011218 82 SER 0.806375 0.020718 83 GLY 0.836447 0.015983 84 LYS 0.850468 0.013167 86 PHE 0.849581 0.012246 87 LYS 0.878941 0.016849 88 ILE 0.860110 0.014116 90 VAL 0.854986 0.015655 91 LEU 0.843267 0.021735 92 VAL 0.872716 0.018992 95 ASP 0.910538 0.044260 96 HIS 0.881883 0.023739 97 PHE 0.873348 0.019384 98 LYS 0.848804 0.019259 100 ALA 0.885318 0.018345 101 VAL 0.843430 0.017419 102 ASN 0.845467 0.016300 103 ASP 0.828466 0.015119 104 ALA 0.855002 0.012444 107 LEU 0.852679 0.020507 108 GLN 0.845933 0.014949 110 ASN 0.893449 0.018196 111 HIS 0.835791 0.014177 112 ARG 0.827245 0.021968 113 VAL 0.794468 0.018022 115 LYS 0.766970 0.026576 116 LEU 0.833169 0.015086 117 ASN 0.855162 0.013121 118 GLU 0.846279 0.013053 119 ILE 0.847567 0.015037 120 SER 0.735984 0.013239 121 LYS 0.847367 0.011863 122 LEU 0.854497 0.015597 123 GLY 0.874497 0.019230 124 ILE 0.831510 0.019182 126 GLY 0.843624 0.018974 127 ASP 0.860641 0.015197 128 ILE 0.856776 0.014569 129 ASP 0.859645 0.016204 130 LEU 0.842461 0.017332 131 THR 0.855536 0.017938 132 SER 0.841745 0.012091 133 ALA 0.827388 0.012676 134 SER 0.845557 0.012081 135 TYR 0.846460 0.012436 136 THR 0.864031 0.013803 137 MET 0.822312 0.012091 138 ILE 0.819228 0.013336 stop_ save_ save_Arg_Ne_Het_NOE_500 _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $Analysis stop_ loop_ _Experiment_label '{H}-15N NOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 499260345 _Mol_system_component_name Galectin-3C _Atom_one_atom_name NE _Atom_two_atom_name HE _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 17 ARG 0.192543842 0.036626248 50 ARG 0.774573589 0.044175293 56 ARG 0.460438178 0.029287512 74 ARG 0.703560496 0.038850918 112 ARG 0.755335918 0.033230399 stop_ save_ save_Arg_Ne_Het_NOE_600 _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $Analysis stop_ loop_ _Experiment_label '{H}-15N NOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 599882216 _Mol_system_component_name Galectin-3C _Atom_one_atom_name NE _Atom_two_atom_name HE _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 17 ARG 0.167617061 0.022518333 50 ARG 0.724839943 0.026362784 56 ARG 0.464003656 0.01877389 74 ARG 0.833577532 0.026689537 112 ARG 0.768653142 0.023562707 stop_ save_ save_Backbone_order_parameters _Saveframe_category S2_parameters _Details . loop_ _Software_label $Relax stop_ loop_ _Sample_label $15N $15N stop_ _Sample_conditions_label $sample_conditions_1 _Mol_system_component_name Galectin-3C _Tau_e_value_units . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 3 ILE N . 0.682857593005213 0.003991903786965 . . . . . . . . . . . . 4 VAL N . 0.698919861464670 0.004557178963143 . . . . . . . . . . . . 6 TYR N . 0.875833856578450 0.004772918311959 . . . . . . . . . . . . 7 ASN N . 0.868288539921500 0.019279319362193 . . . . . . . . . . . . 8 LEU N . 0.835322564687682 0.003201152774221 . . . . . . . . . . . . 10 LEU N . 0.794270736494773 0.007576833407531 . . . . . . . . . . . . 13 GLY N . 0.875066786021757 0.005057753224280 . . . . . . . . . . . . 14 VAL N . 0.790980639313377 0.006597269508829 . . . . . . . . . . . . 15 VAL N . 0.828461140609704 0.003753124419432 . . . . . . . . . . . . 17 ARG N . 0.851007081891346 0.003813324671712 . . . . . . . . . . . . 18 MET N . 0.873541557805284 0.007708339225182 . . . . . . . . . . . . 19 LEU N . 0.897601511522319 0.004632652102053 . . . . . . . . . . . . 20 ILE N . 0.849869427729748 0.011224977032204 . . . . . . . . . . . . 22 ILE N . 0.854976705815462 0.004029555676609 . . . . . . . . . . . . 23 LEU N . 0.851683463231656 0.004287580805820 . . . . . . . . . . . . 24 GLY N . 0.840378336753334 0.008083012909184 . . . . . . . . . . . . 25 THR N . 0.831876383771978 0.005234302364082 . . . . . . . . . . . . 27 LYS N . 0.900431471149349 0.004461256067419 . . . . . . . . . . . . 30 ALA N . 0.776780113490049 0.007066514179324 . . . . . . . . . . . . 31 ASN N . 0.819654930725363 0.005498794778995 . . . . . . . . . . . . 33 ILE N . 0.845332071241395 0.004726225672869 . . . . . . . . . . . . 34 ALA N . 0.863899403108311 0.004247866515326 . . . . . . . . . . . . 35 LEU N . 0.829837904119922 0.005536295081028 . . . . . . . . . . . . 36 ASP N . 0.806117521043386 0.004313820375920 . . . . . . . . . . . . 38 GLN N . 0.844596720790204 0.005256064390629 . . . . . . . . . . . . 39 ARG N . 0.834878997777825 0.005652169652000 . . . . . . . . . . . . 42 ASP N . 0.857663412588799 0.008042645420019 . . . . . . . . . . . . 43 VAL N . 0.851620114994402 0.006769330338961 . . . . . . . . . . . . 45 PHE N . 0.886889337887474 0.007249336041035 . . . . . . . . . . . . 46 HIS N . 0.876077338490643 0.005549622250864 . . . . . . . . . . . . 47 PHE N . 0.853092604368896 0.005008805436742 . . . . . . . . . . . . 51 PHE N . 0.862475432712989 0.005401797763754 . . . . . . . . . . . . 55 ASN N . 0.866685326142475 0.006682961768325 . . . . . . . . . . . . 56 ARG N . 0.808362085850728 0.004480689386882 . . . . . . . . . . . . 57 ARG N . 0.780093297037730 0.004735133553394 . . . . . . . . . . . . 58 VAL N . 0.869309925539232 0.005086503362457 . . . . . . . . . . . . 59 ILE N . 0.855647489978971 0.008639761988957 . . . . . . . . . . . . 60 VAL N . 0.848471891120175 0.006145761794468 . . . . . . . . . . . . 61 CYS N . 0.855384598742605 0.005532690168095 . . . . . . . . . . . . 62 ASN N . 0.861596137839903 0.005897335359470 . . . . . . . . . . . . 63 THR N . 0.810467409336360 0.007449765304354 . . . . . . . . . . . . 64 LYS N . 0.873574809192124 0.004629818909772 . . . . . . . . . . . . 65 LEU N . 0.843525140204948 0.006024204076390 . . . . . . . . . . . . 66 ASP N . 0.865872367645135 0.005351712395025 . . . . . . . . . . . . 67 ASN N . 0.854085136534869 0.010345806899872 . . . . . . . . . . . . 68 ASN N . 0.814593815306550 0.004584406837657 . . . . . . . . . . . . 69 TRP N . 0.912630661245051 0.011729845371867 . . . . . . . . . . . . 70 GLY N . 0.846951343524208 0.005526369719179 . . . . . . . . . . . . 71 ARG N . 0.951886754550396 0.018562851199397 . . . . . . . . . . . . 73 GLU N . 0.827167376997207 0.008365098187839 . . . . . . . . . . . . 75 GLN N . 0.848021523198602 0.005294249045342 . . . . . . . . . . . . 77 VAL N . 0.845544276296011 0.007269599553691 . . . . . . . . . . . . 78 PHE N . 0.919271381189145 0.011738867249237 . . . . . . . . . . . . 80 PHE N . 0.656002238466075 0.008134608155826 . . . . . . . . . . . . 82 SER N . 0.831184062048972 0.016591142154315 . . . . . . . . . . . . 83 GLY N . 0.839477460077122 0.003623984192014 . . . . . . . . . . . . 84 LYS N . 0.834890700990318 0.009422574665516 . . . . . . . . . . . . 86 PHE N . 0.832689971189828 0.008658291095951 . . . . . . . . . . . . 87 LYS N . 0.852979030062827 0.004437101035904 . . . . . . . . . . . . 88 ILE N . 0.832967932675847 0.003291597963610 . . . . . . . . . . . . 90 VAL N . 0.811873288421524 0.003485057777756 . . . . . . . . . . . . 91 LEU N . 0.847185866105081 0.008401281978390 . . . . . . . . . . . . 92 VAL N . 0.879034363482759 0.003217518563177 . . . . . . . . . . . . 95 ASP N . 0.919740121269578 0.020515694742948 . . . . . . . . . . . . 96 HIS N . 0.887375068410230 0.005998771352985 . . . . . . . . . . . . 97 PHE N . 0.853189678059082 0.006589883625051 . . . . . . . . . . . . 98 LYS N . 0.841170445104149 0.006406251691166 . . . . . . . . . . . . 100 ALA N . 0.877983563312906 0.003767214514359 . . . . . . . . . . . . 101 VAL N . 0.830320944319379 0.004915476397632 . . . . . . . . . . . . 102 ASN N . 0.881629364779228 0.005363879304341 . . . . . . . . . . . . 103 ASP N . 0.880331737610137 0.009519440447275 . . . . . . . . . . . . 104 ALA N . 0.834914267587529 0.004031568595105 . . . . . . . . . . . . 107 LEU N . 0.900328565730723 0.006135090967354 . . . . . . . . . . . . 108 GLN N . 0.870673985507095 0.005227303925832 . . . . . . . . . . . . 110 ASN N . 0.864080569466408 0.007308531331771 . . . . . . . . . . . . 111 HIS N . 0.855828904207490 0.007097883096082 . . . . . . . . . . . . 112 ARG N . 0.795364242822236 0.011248413857139 . . . . . . . . . . . . 113 VAL N . 0.741629890105913 0.005435301075211 . . . . . . . . . . . . 115 LYS N . 0.783538889974128 0.025554491713871 . . . . . . . . . . . . 116 LEU N . 0.860859996286293 0.004066028208833 . . . . . . . . . . . . 117 ASN N . 0.914272093272149 0.011195814207812 . . . . . . . . . . . . 118 GLU N . 0.869680194103664 0.004505480016970 . . . . . . . . . . . . 119 ILE N . 0.872265672003952 0.005066566764855 . . . . . . . . . . . . 120 SER N . 0.757028672895562 0.004798569910660 . . . . . . . . . . . . 121 LYS N . 0.913700566397713 0.007692611261515 . . . . . . . . . . . . 122 LEU N . 0.831983404288709 0.003734052833325 . . . . . . . . . . . . 123 GLY N . 0.859322578408661 0.004589587988023 . . . . . . . . . . . . 124 ILE N . 0.836695593671115 0.004465836634514 . . . . . . . . . . . . 126 GLY N . 0.859806319597199 0.005687889447257 . . . . . . . . . . . . 127 ASP N . 0.836440098384486 0.003660930501199 . . . . . . . . . . . . 128 ILE N . 0.874066967125211 0.003539084488252 . . . . . . . . . . . . 129 ASP N . 0.838160543330200 0.003208822661210 . . . . . . . . . . . . 130 LEU N . 0.822142371883189 0.007170051642856 . . . . . . . . . . . . 131 THR N . 0.885257056455660 0.004428343158230 . . . . . . . . . . . . 132 SER N . 0.843887631480744 0.004808525340166 . . . . . . . . . . . . 133 ALA N . 0.880658056182737 0.003893498796908 . . . . . . . . . . . . 134 SER N . 0.841264985353673 0.004065869739751 . . . . . . . . . . . . 135 TYR N . 0.866558537060611 0.004190318590506 . . . . . . . . . . . . 136 THR N . 0.857417821155774 0.004868097587364 . . . . . . . . . . . . 137 MET N . 0.818823035396000 0.006716122914697 . . . . . . . . . . . . 138 ILE N . 0.805629855968173 0.006320684491715 . . . . . . . . . . . . stop_ _Tau_s_value_units . save_ save_side-chain_order_parameters _Saveframe_category S2_parameters _Details . loop_ _Software_label $Relax stop_ loop_ _Sample_label $15N $15N $15N $15N-13C-D2O $15N-13C-D2O $15N-13C-D2O $15N-13C-D2O stop_ _Sample_conditions_label $sample_conditions_1 _Mol_system_component_name Galectin-3C _Tau_e_value_units . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 2 LEU CD1 . 0.501 0.019 . . . . . . . . . . . . 2 LEU CD2 . 0.477 0.012 . . . . . . . . . . . . 3 ILE CD1 . 0.294 0.014 . . . . . . . . . . . . 3 ILE CG2 . 0.587 0.036 . . . . . . . . . . . . 4 VAL CG2 . 0.666 0.039 . . . . . . . . . . . . 8 LEU CD1 . 0.716 0.061 . . . . . . . . . . . . 8 LEU CD2 . 0.652 0.040 . . . . . . . . . . . . 10 LEU CD1 . 0.663 0.046 . . . . . . . . . . . . 14 VAL CG1 . 0.769 0.053 . . . . . . . . . . . . 14 VAL CG2 . 0.765 0.044 . . . . . . . . . . . . 15 VAL CG2 . 0.521 0.073 . . . . . . . . . . . . 18 MET CE . 0.454 0.004 . . . . . . . . . . . . 19 LEU CD1 . 0.727 0.114 . . . . . . . . . . . . 19 LEU CD2 . 0.538 0.017 . . . . . . . . . . . . 20 ILE CD1 . 0.337 0.010 . . . . . . . . . . . . 21 THR CG2 . 0.827 0.040 . . . . . . . . . . . . 23 LEU CD2 . 0.314 0.010 . . . . . . . . . . . . 25 THR CG2 . 0.500 0.021 . . . . . . . . . . . . 26 VAL CG2 . 0.801 0.040 . . . . . . . . . . . . 30 ALA CB . 0.881 0.057 . . . . . . . . . . . . 33 ILE CD1 . 0.855 0.040 . . . . . . . . . . . . 33 ILE CG2 . 0.709 0.026 . . . . . . . . . . . . 35 LEU CD1 . 0.231 0.015 . . . . . . . . . . . . 35 LEU CD2 . 0.279 0.020 . . . . . . . . . . . . 43 VAL CG1 . 0.825 0.030 . . . . . . . . . . . . 43 VAL CG2 . 0.856 0.075 . . . . . . . . . . . . 44 ALA CB . 0.922 0.083 . . . . . . . . . . . . 58 VAL CG1 . 0.384 0.026 . . . . . . . . . . . . 58 VAL CG2 . 0.508 0.036 . . . . . . . . . . . . 59 ILE CG2 . 0.839 0.027 . . . . . . . . . . . . 60 VAL CG1 . 0.87 0.054 . . . . . . . . . . . . 60 VAL CG2 . 0.783 0.065 . . . . . . . . . . . . 63 THR CG2 . 0.894 0.054 . . . . . . . . . . . . 77 VAL CG1 . 0.657 0.021 . . . . . . . . . . . . 77 VAL CG2 . 0.888 0.051 . . . . . . . . . . . . 88 ILE CG2 . 0.803 0.023 . . . . . . . . . . . . 91 LEU CD1 . 0.589 0.021 . . . . . . . . . . . . 91 LEU CD2 . 0.623 0.037 . . . . . . . . . . . . 92 VAL CG1 . 0.901 0.039 . . . . . . . . . . . . 92 VAL CG2 . 0.877 0.032 . . . . . . . . . . . . 99 VAL CG1 . 0.848 0.034 . . . . . . . . . . . . 99 VAL CG2 . 0.845 0.033 . . . . . . . . . . . . 100 ALA CB . 0.948 0.031 . . . . . . . . . . . . 101 VAL CG1 . 0.806 0.050 . . . . . . . . . . . . 104 ALA CB . 0.817 0.023 . . . . . . . . . . . . 106 LEU CD1 . 0.950 0.070 . . . . . . . . . . . . 113 VAL CG1 . 0.765 0.033 . . . . . . . . . . . . 113 VAL CG2 . 0.834 0.025 . . . . . . . . . . . . 116 LEU CD1 . 0.719 0.047 . . . . . . . . . . . . 116 LEU CD2 . 0.548 0.039 . . . . . . . . . . . . 119 ILE CD1 . 0.658 0.027 . . . . . . . . . . . . 119 ILE CG2 . 0.812 0.032 . . . . . . . . . . . . 122 LEU CD1 . 0.67 0.049 . . . . . . . . . . . . 122 LEU CD2 . 0.719 0.079 . . . . . . . . . . . . 124 ILE CD1 . 0.505 0.016 . . . . . . . . . . . . 124 ILE CG2 . 0.865 0.030 . . . . . . . . . . . . 130 LEU CD2 . 0.378 0.014 . . . . . . . . . . . . 133 ALA CB . 0.827 0.056 . . . . . . . . . . . . 136 THR CG2 . 0.604 0.022 . . . . . . . . . . . . 137 MET CE . 0.512 0.011 . . . . . . . . . . . . 138 ILE CD1 . 0.436 0.021 . . . . . . . . . . . . 138 ILE CG2 . 0.534 0.012 . . . . . . . . . . . . 17 ARG NE . 0.478 0.015 . . . . . . . . . . . . 50 ARG NE . 0.788 0.009 . . . . . . . . . . . . 56 ARG NE . 0.664 0.010 . . . . . . . . . . . . 74 ARG NE . 0.795 0.010 . . . . . . . . . . . . 112 ARG NE . 0.838 0.011 . . . . . . . . . . . . stop_ _Tau_s_value_units . save_