data_27721 ####################### # 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 S ; _BMRB_accession_number 27721 _BMRB_flat_file_name bmr27721.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 Leffler 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" 153 "13C chemical shifts" 58 "15N chemical shifts" 95 "T1 relaxation values" 405 "T2 relaxation values" 418 "order parameters" 142 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 27722 'Galectin-3 bound to R' 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 Leffler 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 S' _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 S: (2S)-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-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 S' 0.32 mM 'natural abundance' stop_ save_ 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 S' 0.35 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 S' 0.36 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' 'data analysis' 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-13C save_ save_3D_HCCH-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $15N-13C save_ save_2D_1H-13C_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $15N-13C save_ save_15N_R1_5 _Saveframe_category NMR_applied_experiment _Experiment_name '15N R1' _Sample_label $15N save_ save_15N_R1_6 _Saveframe_category NMR_applied_experiment _Experiment_name '15N R1' _Sample_label $15N save_ save_15N_R1_7 _Saveframe_category NMR_applied_experiment _Experiment_name '15N R1' _Sample_label $15N save_ save_15N_R2_8 _Saveframe_category NMR_applied_experiment _Experiment_name '15N R2' _Sample_label $15N save_ save_15N_R2_9 _Saveframe_category NMR_applied_experiment _Experiment_name '15N R2' _Sample_label $15N save_ save_15N_R2_10 _Saveframe_category NMR_applied_experiment _Experiment_name '15N R2' _Sample_label $15N save_ save_{H}-15N_NOE_11 _Saveframe_category NMR_applied_experiment _Experiment_name '{H}-15N NOE' _Sample_label $15N save_ save_{H}-15N_NOE_12 _Saveframe_category NMR_applied_experiment _Experiment_name '{H}-15N NOE' _Sample_label $15N save_ save_{H}-15N_NOE_13 _Saveframe_category NMR_applied_experiment _Experiment_name '{H}-15N NOE' _Sample_label $15N save_ save_R1(Dz)_14 _Saveframe_category NMR_applied_experiment _Experiment_name R1(Dz) _Sample_label $15N-13C-D2O save_ save_R1(Dz)_15 _Saveframe_category NMR_applied_experiment _Experiment_name R1(Dz) _Sample_label $15N-13C-D2O save_ save_R(3Dz-2)_16 _Saveframe_category NMR_applied_experiment _Experiment_name R(3Dz-2) _Sample_label $15N-13C-D2O save_ save_R(3Dz-2)_17 _Saveframe_category NMR_applied_experiment _Experiment_name R(3Dz-2) _Sample_label $15N-13C-D2O save_ save_R2(D+)_18 _Saveframe_category NMR_applied_experiment _Experiment_name R2(D+) _Sample_label $15N-13C-D2O save_ save_R2(D+)_19 _Saveframe_category NMR_applied_experiment _Experiment_name R2(D+) _Sample_label $15N-13C-D2O save_ save_R(D-Dz_+_DzD+)_20 _Saveframe_category NMR_applied_experiment _Experiment_name 'R(D-Dz + DzD+)' _Sample_label $15N-13C-D2O save_ save_R(D-Dz_+_DzD+)_21 _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: 60 63 0.84188 25.22850 (135Leu/177Leu)(Hda*/Hdb*) (135Leu/177Leu)Cdb 61 36 0.68252 21.58709 (146Ala/172Val)(Hb*/Hga*) (146Ala/172Val)(Cb/Cga) 62 22 0.82930 14.86386 (171Ile/134Ile)Hd1* (171Ile/134Ile)Cd1 63 21 0.72902 14.32159 (200Ile/240Ile)Hd1* (200Ile/240Ile)Cd1 64 55 0.90844 26.54723 (203Leu/120Leu)(Hdb*/Hda*) (203Leu/120Leu)Cd* 65 32 0.75234 23.44018 (213Val/177Leu)(Hgb*/Hda*) (213Val/177Leu)(Cgb/Cda) 66 60 0.91603 24.27161 (242Leu/135Leu)Hdb* (242Leu/135Leu)Cd* 67 25 0.84279 19.98179 {*}(Hg2*/Hga*/Hga*) {*}Cg* 68 35 0.84594 21.26015 {*}(Hgb*/Hgb*/Hga*) {*}Cg* ; loop_ _Experiment_label '3D HNCACB' '2D 1H-15N HSQC' '3D HCCH-COSY' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $15N-13C 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 0.28884 . 2 2 114 2 LEU HD2 H 0.75715 . 2 3 114 2 LEU CD1 C 24.21002 . 2 4 114 2 LEU CD2 C 22.50366 . 2 5 115 3 ILE HG2 H 0.99825 . 1 6 115 3 ILE HD1 H 0.97113 . 1 7 115 3 ILE CG2 C 17.75222 . 1 8 115 3 ILE CD1 C 12.84249 . 1 9 120 8 LEU HD2 H 1.23434 . 2 10 120 8 LEU CD2 C 24.57767 . 2 11 122 10 LEU HD1 H 0.55529 . 2 12 122 10 LEU HD2 H 0.74374 . 2 13 122 10 LEU CD1 C 23.61842 . 2 14 122 10 LEU CD2 C 26.54101 . 2 15 126 14 VAL HG1 H 1.02676 . 2 16 126 14 VAL HG2 H 1.04456 . 2 17 126 14 VAL CG1 C 22.55908 . 2 18 126 14 VAL CG2 C 23.94419 . 2 19 127 15 VAL HG2 H 0.92813 . 2 20 127 15 VAL CG2 C 21.57699 . 2 21 130 18 MET HE H 1.78863 . 1 22 130 18 MET CE C 17.68519 . 1 23 131 19 LEU HD1 H 0.83568 . 2 24 131 19 LEU HD2 H 0.87437 . 2 25 131 19 LEU CD1 C 26.43100 . 2 26 131 19 LEU CD2 C 24.28876 . 2 27 132 20 ILE HG2 H 0.94163 . 1 28 132 20 ILE HD1 H 1.20951 . 1 29 132 20 ILE CG2 C 18.21315 . 1 30 132 20 ILE CD1 C 15.61055 . 1 31 133 21 THR HG2 H 1.11354 . 1 32 133 21 THR CG2 C 21.49519 . 1 33 134 22 ILE HG2 H 1.01856 . 1 34 134 22 ILE CG2 C 18.87795 . 1 35 137 25 THR HG2 H 0.99771 . 1 36 137 25 THR CG2 C 21.74152 . 1 37 138 26 VAL HG1 H 1.09336 . 2 38 138 26 VAL HG2 H 1.31403 . 2 39 138 26 VAL CG1 C 24.31407 . 2 40 138 26 VAL CG2 C 24.71172 . 2 41 142 30 ALA HB H 0.59988 . 1 42 142 30 ALA CB C 20.31992 . 1 43 145 33 ILE HG2 H 0.57347 . 1 44 145 33 ILE HD1 H 0.00656 . 1 45 145 33 ILE CG2 C 15.49101 . 1 46 145 33 ILE CD1 C 13.74964 . 1 47 147 35 LEU HD1 H 0.68012 . 2 48 147 35 LEU HD2 H 0.75681 . 2 49 147 35 LEU CD1 C 24.19108 . 2 50 147 35 LEU CD2 C 25.49985 . 2 51 155 43 VAL HG1 H 0.76132 . 2 52 155 43 VAL HG2 H 1.14589 . 2 53 155 43 VAL CG1 C 20.30346 . 2 54 155 43 VAL CG2 C 22.84012 . 2 55 156 44 ALA HB H 1.56333 . 1 56 156 44 ALA CB C 19.51072 . 1 57 170 58 VAL HG1 H 0.72554 . 2 58 170 58 VAL CG1 C 19.32790 . 2 59 171 59 ILE HG2 H 0.16013 . 1 60 171 59 ILE CG2 C 17.82046 . 1 61 172 60 VAL HG2 H 0.74906 . 2 62 172 60 VAL CG2 C 21.52871 . 2 63 175 63 THR HG2 H 1.48809 . 1 64 175 63 THR CG2 C 21.59197 . 1 65 189 77 VAL HG2 H 1.04217 . 2 66 189 77 VAL CG2 C 21.59234 . 2 67 200 88 ILE HG2 H 0.65413 . 1 68 200 88 ILE CG2 C 17.46780 . 1 69 203 91 LEU HD1 H 0.89537 . 2 70 203 91 LEU CD1 C 23.45858 . 2 71 204 92 VAL HG1 H 0.44299 . 2 72 204 92 VAL HG2 H 1.06917 . 2 73 204 92 VAL CG1 C 21.35790 . 2 74 204 92 VAL CG2 C 20.50544 . 2 75 211 99 VAL HG1 H 0.45515 . 2 76 211 99 VAL CG1 C 21.25681 . 2 77 212 100 ALA HB H 1.30902 . 1 78 212 100 ALA CB C 22.34201 . 1 79 213 101 VAL HG1 H 0.32463 . 2 80 213 101 VAL CG1 C 20.60621 . 2 81 216 104 ALA HB H 1.38331 . 1 82 216 104 ALA CB C 21.11383 . 1 83 218 106 LEU HD1 H 0.86208 . 2 84 218 106 LEU HD2 H 0.89416 . 2 85 218 106 LEU CD1 C 22.35629 . 2 86 218 106 LEU CD2 C 26.96058 . 2 87 219 107 LEU HD1 H 0.96721 . 2 88 219 107 LEU HD2 H 1.00026 . 2 89 219 107 LEU CD1 C 24.82413 . 2 90 219 107 LEU CD2 C 28.63271 . 2 91 228 116 LEU HD1 H -0.24106 . 2 92 228 116 LEU HD2 H 0.34137 . 2 93 228 116 LEU CD1 C 20.03117 . 2 94 228 116 LEU CD2 C 24.34735 . 2 95 231 119 ILE HG2 H 1.12782 . 1 96 231 119 ILE HD1 H 0.94963 . 1 97 231 119 ILE CG2 C 19.22935 . 1 98 231 119 ILE CD1 C 15.11470 . 1 99 234 122 LEU HD1 H -0.32005 . 2 100 234 122 LEU HD2 H 0.59310 . 2 101 234 122 LEU CD1 C 22.14133 . 2 102 234 122 LEU CD2 C 26.83792 . 2 103 236 124 ILE HG2 H 0.92605 . 1 104 236 124 ILE HD1 H 0.92870 . 1 105 236 124 ILE CG2 C 18.70219 . 1 106 236 124 ILE CD1 C 16.01800 . 1 107 242 130 LEU HD1 H 0.53541 . 2 108 242 130 LEU CD1 C 27.49700 . 2 109 248 136 THR HG2 H 1.17763 . 1 110 248 136 THR CG2 C 19.49425 . 1 111 249 137 MET HE H 2.09261 . 1 112 249 137 MET CE C 16.26847 . 1 113 250 138 ILE HG2 H 0.92245 . 1 114 250 138 ILE HD1 H 0.89869 . 1 115 250 138 ILE CG2 C 19.61446 . 1 116 250 138 ILE CD1 C 15.08298 . 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details ; Additional rows: 96 77 9.12292 123.59917 (133Thr/211Val)H (133Thr/211Val)N 97 67 8.70883 117.36403 (144Arg/164Asn)H (144Arg/164Asn)N 98 84 9.33081 125.28047 (149Phe/201Gln)H (149Phe/201Gln)N 99 71 8.92367 127.96729 (156Ala/218Leu)H (156Ala/218Leu)N 100 103 8.97709 125.60254 (165Glu/221Tyr)H (165Glu/221Tyr)N 101 90 8.77895 124.75250 (171Ile/183Arg)H (171Ile/183Arg)N 102 92 7.81523 117.82863 (180Asn/196Lys)H (180Asn/196Lys)N 103 96 9.24174 119.98277 (193Glu/237Ser)H (193Glu/237Ser)N 104 75 8.38642 128.28080 (205Glu/138Val)H (205Glu/138Val)N 105 101 8.62171 124.77601 (234Leu/250Ile)H (234Leu/250Ile)N ; loop_ _Experiment_label '3D HNCACB' '2D 1H-15N HSQC' '3D HCCH-COSY' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $15N-13C 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 8.30227 . 1 2 115 3 ILE N N 122.96635 . 1 3 116 4 VAL H H 7.89719 . 1 4 116 4 VAL N N 122.34928 . 1 5 118 6 TYR H H 9.18155 . 1 6 118 6 TYR N N 125.87254 . 1 7 119 7 ASN H H 7.76593 . 1 8 119 7 ASN N N 126.12850 . 1 9 120 8 LEU H H 9.39509 . 1 10 120 8 LEU N N 128.00515 . 1 11 122 10 LEU H H 7.85611 . 1 12 122 10 LEU N N 122.37509 . 1 13 125 13 GLY H H 8.26132 . 1 14 125 13 GLY N N 108.89614 . 1 15 126 14 VAL H H 7.17240 . 1 16 126 14 VAL N N 113.41364 . 1 17 127 15 VAL H H 6.54348 . 1 18 127 15 VAL N N 116.67638 . 1 19 129 17 ARG H H 8.75950 . 1 20 129 17 ARG N N 112.50019 . 1 21 130 18 MET H H 7.88757 . 1 22 130 18 MET N N 119.16306 . 1 23 131 19 LEU H H 9.20991 . 1 24 131 19 LEU N N 128.53949 . 1 25 132 20 ILE H H 9.92886 . 1 26 132 20 ILE N N 132.32838 . 1 27 134 22 ILE H H 9.67625 . 1 28 134 22 ILE N N 130.04738 . 1 29 135 23 LEU H H 8.82022 . 1 30 135 23 LEU N N 126.99214 . 1 31 136 24 GLY H H 6.97113 . 1 32 136 24 GLY N N 108.53833 . 1 33 137 25 THR H H 8.95688 . 1 34 137 25 THR N N 115.84927 . 1 35 139 27 LYS H H 8.20312 . 1 36 139 27 LYS N N 128.53303 . 1 37 142 30 ALA H H 6.89697 . 1 38 142 30 ALA N N 119.37279 . 1 39 143 31 ASN H H 9.75100 . 1 40 143 31 ASN N N 116.62157 . 1 41 145 33 ILE H H 8.15630 . 1 42 145 33 ILE N N 119.84103 . 1 43 146 34 ALA H H 8.74493 . 1 44 146 34 ALA N N 126.56137 . 1 45 147 35 LEU H H 8.34703 . 1 46 147 35 LEU N N 121.16214 . 1 47 148 36 ASP H H 9.04894 . 1 48 148 36 ASP N N 120.71331 . 1 49 150 38 GLN H H 9.16018 . 1 50 150 38 GLN N N 127.30271 . 1 51 151 39 ARG H H 8.16260 . 1 52 151 39 ARG N N 125.51470 . 1 53 154 42 ASP H H 8.47127 . 1 54 154 42 ASP N N 119.92738 . 1 55 155 43 VAL H H 9.25108 . 1 56 155 43 VAL N N 121.01172 . 1 57 157 45 PHE H H 7.64641 . 1 58 157 45 PHE N N 118.80686 . 1 59 158 46 HIS H H 9.30875 . 1 60 158 46 HIS N N 133.45465 . 1 61 159 47 PHE H H 8.44827 . 1 62 159 47 PHE N N 127.17909 . 1 63 160 48 ASN H H 8.55137 . 1 64 160 48 ASN N N 123.10630 . 1 65 163 51 PHE H H 8.24804 . 1 66 163 51 PHE N N 118.71599 . 1 67 167 55 ASN H H 8.02746 . 1 68 167 55 ASN N N 108.03516 . 1 69 168 56 ARG H H 7.41750 . 1 70 168 56 ARG N N 117.12311 . 1 71 169 57 ARG H H 7.91383 . 1 72 169 57 ARG N N 118.99293 . 1 73 170 58 VAL H H 8.63685 . 1 74 170 58 VAL N N 121.90226 . 1 75 172 60 VAL H H 7.26470 . 1 76 172 60 VAL N N 128.04545 . 1 77 173 61 CYS H H 8.84355 . 1 78 173 61 CYS N N 123.84212 . 1 79 174 62 ASN H H 9.01921 . 1 80 174 62 ASN N N 119.35977 . 1 81 175 63 THR H H 9.99110 . 1 82 175 63 THR N N 118.57709 . 1 83 176 64 LYS H H 9.09903 . 1 84 176 64 LYS N N 130.56862 . 1 85 177 65 LEU H H 7.96347 . 1 86 177 65 LEU N N 126.20076 . 1 87 178 66 ASP H H 9.04049 . 1 88 178 66 ASP N N 126.06574 . 1 89 179 67 ASN H H 9.22583 . 1 90 179 67 ASN N N 108.49732 . 1 91 181 69 TRP H H 8.98829 . 1 92 181 69 TRP N N 126.89176 . 1 93 182 70 GLY H H 8.26764 . 1 94 182 70 GLY N N 110.23237 . 1 95 186 74 ARG H H 8.89989 . 1 96 186 74 ARG N N 124.47298 . 1 97 187 75 GLN H H 8.77507 . 1 98 187 75 GLN N N 121.69018 . 1 99 189 77 VAL H H 7.90589 . 1 100 189 77 VAL N N 125.49902 . 1 101 190 78 PHE H H 8.37198 . 1 102 190 78 PHE N N 125.66614 . 1 103 192 80 PHE H H 5.81647 . 1 104 192 80 PHE N N 113.84246 . 1 105 194 82 SER H H 9.08352 . 1 106 194 82 SER N N 120.60534 . 1 107 195 83 GLY H H 7.10550 . 1 108 195 83 GLY N N 112.60660 . 1 109 198 86 PHE H H 8.76983 . 1 110 198 86 PHE N N 116.27161 . 1 111 199 87 LYS H H 8.18175 . 1 112 199 87 LYS N N 121.63368 . 1 113 200 88 ILE H H 9.83368 . 1 114 200 88 ILE N N 127.39509 . 1 115 202 90 VAL H H 9.58856 . 1 116 202 90 VAL N N 124.01695 . 1 117 203 91 LEU H H 9.48850 . 1 118 203 91 LEU N N 130.45892 . 1 119 204 92 VAL H H 9.03852 . 1 120 204 92 VAL N N 127.51757 . 1 121 207 95 ASP H H 8.02593 . 1 122 207 95 ASP N N 107.02531 . 1 123 208 96 HIS H H 6.51460 . 1 124 208 96 HIS N N 116.21357 . 1 125 209 97 PHE H H 8.56764 . 1 126 209 97 PHE N N 114.66645 . 1 127 210 98 LYS H H 9.71688 . 1 128 210 98 LYS N N 123.65586 . 1 129 212 100 ALA H H 9.29542 . 1 130 212 100 ALA N N 130.39565 . 1 131 213 101 VAL H H 8.50959 . 1 132 213 101 VAL N N 121.16933 . 1 133 214 102 ASN H H 9.92054 . 1 134 214 102 ASN N N 127.44239 . 1 135 215 103 ASP H H 8.98471 . 1 136 215 103 ASP N N 107.72936 . 1 137 216 104 ALA H H 7.68960 . 1 138 216 104 ALA N N 121.43810 . 1 139 219 107 LEU H H 7.57620 . 1 140 219 107 LEU N N 110.00169 . 1 141 220 108 GLN H H 8.78115 . 1 142 220 108 GLN N N 119.10285 . 1 143 222 110 ASN H H 9.36882 . 1 144 222 110 ASN N N 129.83743 . 1 145 223 111 HIS H H 7.17147 . 1 146 223 111 HIS N N 117.25954 . 1 147 224 112 ARG H H 9.48034 . 1 148 224 112 ARG N N 125.45055 . 1 149 225 113 VAL H H 8.37236 . 1 150 225 113 VAL N N 120.31820 . 1 151 227 115 LYS H H 7.09034 . 1 152 227 115 LYS N N 120.70203 . 1 153 228 116 LEU H H 7.65914 . 1 154 228 116 LEU N N 122.86773 . 1 155 229 117 ASN H H 8.42414 . 1 156 229 117 ASN N N 112.95488 . 1 157 230 118 GLU H H 7.43777 . 1 158 230 118 GLU N N 116.40990 . 1 159 231 119 ILE H H 7.70419 . 1 160 231 119 ILE N N 122.22863 . 1 161 232 120 SER H H 7.72997 . 1 162 232 120 SER N N 116.20405 . 1 163 233 121 LYS H H 7.88671 . 1 164 233 121 LYS N N 120.91280 . 1 165 235 123 GLY H H 9.37226 . 1 166 235 123 GLY N N 114.47994 . 1 167 238 126 GLY H H 9.07746 . 1 168 238 126 GLY N N 106.56162 . 1 169 239 127 ASP H H 8.76193 . 1 170 239 127 ASP N N 122.24701 . 1 171 240 128 ILE H H 8.03066 . 1 172 240 128 ILE N N 112.50699 . 1 173 241 129 ASP H H 8.92389 . 1 174 241 129 ASP N N 121.13707 . 1 175 242 130 LEU H H 9.30693 . 1 176 242 130 LEU N N 126.43267 . 1 177 243 131 THR H H 9.04915 . 1 178 243 131 THR N N 121.57465 . 1 179 244 132 SER H H 7.79809 . 1 180 244 132 SER N N 111.93556 . 1 181 245 133 ALA H H 8.30601 . 1 182 245 133 ALA N N 125.89016 . 1 183 246 134 SER H H 8.59783 . 1 184 246 134 SER N N 115.17340 . 1 185 247 135 TYR H H 8.38187 . 1 186 247 135 TYR N N 115.23777 . 1 187 248 136 THR H H 8.90450 . 1 188 248 136 THR N N 114.97845 . 1 189 249 137 MET H H 8.15171 . 1 190 249 137 MET N N 120.88936 . 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 1.605710 0.030320 2 4 VAL N 1.818730 0.033070 3 6 TYR N 2.021570 0.030370 4 7 ASN N 1.933030 0.054020 5 8 LEU N 1.813980 0.023250 6 10 LEU N 1.826790 0.025280 7 13 GLY N 1.916410 0.034990 8 14 VAL N 1.706990 0.032250 9 15 VAL N 1.810670 0.031100 10 17 ARG N 1.869190 0.055280 11 18 MET N 1.867690 0.017530 12 19 LEU N 1.978280 0.055150 13 20 ILE N 1.916690 0.038950 14 22 ILE N 1.951860 0.023850 15 23 LEU N 1.915700 0.027330 16 24 GLY N 1.950660 0.030210 17 25 THR N 1.881940 0.017120 18 27 LYS N 1.905920 0.089370 19 30 ALA N 1.711490 0.026370 20 31 ASN N 1.753810 0.070580 21 33 ILE N 1.943970 0.027430 22 34 ALA N 1.888270 0.029330 23 35 LEU N 2.039140 0.097050 24 36 ASP N 1.876420 0.035290 25 38 GLN N 1.948700 0.047880 26 39 ARG N 1.899190 0.046110 27 42 ASP N 1.867600 0.032420 28 43 VAL N 1.860680 0.033230 29 45 PHE N 1.970300 0.038420 30 46 HIS N 1.966620 0.059000 31 47 PHE N 1.979730 0.037250 32 51 PHE N 1.976920 0.109290 33 55 ASN N 1.964570 0.045900 34 56 ARG N 1.804830 0.050170 35 57 ARG N 1.803300 0.033500 36 58 VAL N 1.898320 0.035830 37 59 ILE N 2.146230 0.158850 38 60 VAL N 1.967100 0.076960 39 61 CYS N 1.897910 0.024360 40 62 ASN N 1.914900 0.031520 41 63 THR N 1.822280 0.027780 42 64 LYS N 1.950570 0.035210 43 65 LEU N 1.816780 0.030000 44 66 ASP N 1.891880 0.034840 45 67 ASN N 1.855520 0.032580 46 68 ASN N 1.716710 0.026980 47 69 TRP N 1.907820 0.038920 48 70 GLY N 1.896520 0.042140 49 71 ARG N 1.983640 0.029350 50 74 ARG N 1.883670 0.148730 51 75 GLN N 1.918390 0.049780 52 77 VAL N 1.774560 0.026780 53 78 PHE N 1.907450 0.069700 54 80 PHE N 1.436420 0.018590 55 82 SER N 1.865780 0.070240 56 83 GLY N 1.958810 0.040360 57 84 LYS N 1.851000 0.033710 58 86 PHE N 1.923900 0.029880 59 87 LYS N 1.908760 0.027520 60 88 ILE N 1.923730 0.035730 61 90 VAL N 1.902840 0.024280 62 91 LEU N 1.847030 0.039100 63 92 VAL N 1.994880 0.023070 64 95 ASP N 1.976810 0.037660 65 96 HIS N 1.944630 0.029160 66 97 PHE N 1.933810 0.036050 67 98 LYS N 1.759620 0.041960 68 100 ALA N 1.980130 0.010950 69 101 VAL N 1.929850 0.051150 70 102 ASN N 2.070710 0.037310 71 103 ASP N 1.902890 0.029260 72 104 ALA N 1.826870 0.023390 73 107 LEU N 1.893240 0.040820 74 108 GLN N 1.909320 0.047320 75 110 ASN N 1.925580 0.035880 76 111 HIS N 1.863240 0.036150 77 112 ARG N 1.831390 0.057840 78 113 VAL N 1.620440 0.019200 79 115 LYS N 1.771730 0.053270 80 116 LEU N 1.918630 0.034130 81 117 ASN N 1.982090 0.022300 82 118 GLU N 1.998830 0.041430 83 119 ILE N 1.963340 0.037350 84 120 SER N 1.730730 0.045160 85 121 LYS N 1.996630 0.033940 86 122 LEU N 1.868970 0.035310 87 123 GLY N 1.942490 0.040310 88 126 GLY N 1.900650 0.131340 89 127 ASP N 1.977310 0.080180 90 128 ILE N 2.037450 0.077370 91 129 ASP N 1.937310 0.031490 92 130 LEU N 1.846500 0.020020 93 131 THR N 1.970040 0.029930 94 132 SER N 1.940330 0.044870 95 133 ALA N 1.956660 0.025200 96 134 SER N 1.873470 0.028840 97 135 TYR N 1.884810 0.027500 98 136 THR N 1.861170 0.027940 99 137 MET N 1.818790 0.034610 100 138 ILE N 1.838800 0.032080 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 1.258940 0.013270 2 4 VAL N 1.429560 0.033370 3 6 TYR N 1.571910 0.037520 4 7 ASN N 1.532800 0.049700 5 8 LEU N 1.460740 0.016810 6 10 LEU N 1.396920 0.016930 7 13 GLY N 1.476940 0.027180 8 14 VAL N 1.378150 0.031960 9 15 VAL N 1.419170 0.030600 10 17 ARG N 1.458170 0.024390 11 18 MET N 1.492640 0.031180 12 19 LEU N 1.535460 0.026890 13 20 ILE N 1.487050 0.040390 14 22 ILE N 1.482090 0.022420 15 23 LEU N 1.541910 0.019840 16 24 GLY N 1.515480 0.022080 17 25 THR N 1.523510 0.019260 18 27 LYS N 1.583510 0.027610 19 30 ALA N 1.396550 0.014840 20 31 ASN N 1.381420 0.029160 21 33 ILE N 1.474730 0.016300 22 34 ALA N 1.599740 0.037150 23 35 LEU N 1.558540 0.046220 24 36 ASP N 1.466900 0.014220 25 38 GLN N 1.471290 0.031530 26 39 ARG N 1.489730 0.030090 27 42 ASP N 1.452120 0.018490 28 43 VAL N 1.462690 0.029730 29 45 PHE N 1.496030 0.036450 30 46 HIS N 1.618420 0.071530 31 47 PHE N 1.509690 0.028820 32 51 PHE N 1.548610 0.041260 33 55 ASN N 1.580000 0.021350 34 56 ARG N 1.431050 0.019790 35 57 ARG N 1.415160 0.016840 36 58 VAL N 1.480060 0.019960 37 59 ILE N 1.622710 0.055960 38 60 VAL N 1.485310 0.040150 39 61 CYS N 1.442900 0.026190 40 62 ASN N 1.550310 0.020030 41 63 THR N 1.371370 0.036860 42 64 LYS N 1.583440 0.033750 43 65 LEU N 1.411910 0.019320 44 66 ASP N 1.474590 0.022090 45 67 ASN N 1.492970 0.033310 46 68 ASN N 1.398890 0.020090 47 69 TRP N 1.570760 0.050260 48 70 GLY N 1.437080 0.018830 49 71 ARG N 1.621480 0.029760 50 74 ARG N 1.606040 0.060670 51 75 GLN N 1.570530 0.018830 52 77 VAL N 1.441720 0.029830 53 78 PHE N 1.641620 0.047780 54 80 PHE N 1.190760 0.019020 55 82 SER N 1.432650 0.055760 56 83 GLY N 1.460460 0.029220 57 84 LYS N 1.434250 0.012420 58 86 PHE N 1.490480 0.016790 59 87 LYS N 1.551230 0.020000 60 88 ILE N 1.513960 0.026770 61 90 VAL N 1.446620 0.027100 62 91 LEU N 1.467020 0.030420 63 92 VAL N 1.526910 0.020260 64 95 ASP N 1.629800 0.056930 65 96 HIS N 1.560940 0.021710 66 97 PHE N 1.449720 0.025280 67 98 LYS N 1.442630 0.021270 68 100 ALA N 1.540020 0.020070 69 101 VAL N 1.484070 0.021120 70 102 ASN N 1.595170 0.033410 71 103 ASP N 1.535390 0.021430 72 104 ALA N 1.436250 0.016090 73 107 LEU N 1.450380 0.018210 74 108 GLN N 1.534970 0.023820 75 110 ASN N 1.511130 0.022250 76 111 HIS N 1.501480 0.026800 77 112 ARG N 1.469510 0.034540 78 113 VAL N 1.306320 0.036320 79 115 LYS N 1.399850 0.052320 80 116 LEU N 1.513350 0.016330 81 117 ASN N 1.605580 0.025300 82 118 GLU N 1.577010 0.014640 83 119 ILE N 1.538570 0.014670 84 120 SER N 1.363670 0.019600 85 121 LYS N 1.592960 0.015700 86 122 LEU N 1.484680 0.018930 87 123 GLY N 1.506010 0.025430 88 126 GLY N 1.629910 0.087520 89 127 ASP N 1.556100 0.030680 90 128 ILE N 1.529880 0.025190 91 129 ASP N 1.478490 0.012230 92 130 LEU N 1.470320 0.024370 93 131 THR N 1.620260 0.027140 94 132 SER N 1.456090 0.018010 95 133 ALA N 1.531530 0.024000 96 134 SER N 1.477810 0.018410 97 135 TYR N 1.538220 0.037910 98 136 THR N 1.557760 0.022630 99 137 MET N 1.433370 0.018460 100 138 ILE N 1.478140 0.028320 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 0.831180 0.007750 2 4 VAL N 0.908110 0.005850 3 6 TYR N 0.952250 0.007200 4 7 ASN N 0.837550 0.037970 5 8 LEU N 0.895970 0.008160 6 10 LEU N 0.852320 0.011030 7 13 GLY N 0.890480 0.013670 8 14 VAL N 0.879580 0.015560 9 15 VAL N 0.877250 0.007380 10 17 ARG N 0.871480 0.010000 11 18 MET N 0.945140 0.009280 12 19 LEU N 0.942850 0.006340 13 20 ILE N 0.934600 0.010180 14 22 ILE N 0.910860 0.006900 15 23 LEU N 0.895390 0.007020 16 24 GLY N 0.938190 0.010180 17 25 THR N 0.881890 0.006840 18 27 LYS N 0.935680 0.011570 19 30 ALA N 0.879030 0.017900 20 31 ASN N 0.841680 0.013950 21 33 ILE N 0.848270 0.014320 22 34 ALA N 0.928270 0.006490 23 35 LEU N 0.873610 0.017170 24 36 ASP N 0.816490 0.006350 25 38 GLN N 0.864510 0.009850 26 39 ARG N 0.834460 0.013960 27 42 ASP N 0.813180 0.018690 28 43 VAL N 0.814580 0.013100 29 45 PHE N 0.921580 0.010380 30 46 HIS N 0.905510 0.016470 31 47 PHE N 0.899800 0.011260 32 51 PHE N 0.862510 0.018940 33 55 ASN N 0.868120 0.029290 34 56 ARG N 0.859700 0.013410 35 57 ARG N 0.853270 0.011250 36 58 VAL N 0.929200 0.014200 37 59 ILE N 0.938940 0.046020 38 60 VAL N 0.881600 0.017890 39 61 CYS N 0.842810 0.016990 40 62 ASN N 0.867790 0.016700 41 63 THR N 0.739090 0.017840 42 64 LYS N 0.866520 0.019180 43 65 LEU N 0.823250 0.017550 44 66 ASP N 0.862540 0.014510 45 67 ASN N 0.853870 0.018530 46 68 ASN N 0.783680 0.014840 47 69 TRP N 0.796300 0.039400 48 70 GLY N 0.815090 0.025940 49 71 ARG N 0.912620 0.011280 50 74 ARG N 0.706390 0.037640 51 75 GLN N 0.862180 0.019670 52 77 VAL N 0.871390 0.017140 53 78 PHE N 0.831040 0.040470 54 80 PHE N 0.740950 0.007840 55 82 SER N 0.783410 0.042270 56 83 GLY N 0.884850 0.014930 57 84 LYS N 0.917060 0.008800 58 86 PHE N 0.956060 0.006640 59 87 LYS N 0.893000 0.009410 60 88 ILE N 0.900840 0.007970 61 90 VAL N 0.851140 0.007620 62 91 LEU N 0.919610 0.008350 63 92 VAL N 0.909750 0.006120 64 95 ASP N 0.851570 0.045870 65 96 HIS N 0.866180 0.017570 66 97 PHE N 0.839330 0.012270 67 98 LYS N 0.845750 0.009250 68 100 ALA N 0.959750 0.008640 69 101 VAL N 0.866620 0.009720 70 102 ASN N 0.952040 0.009300 71 103 ASP N 0.907980 0.016440 72 104 ALA N 0.904060 0.016750 73 107 LEU N 0.941540 0.014940 74 108 GLN N 0.915910 0.012540 75 110 ASN N 0.865050 0.023260 76 111 HIS N 0.835470 0.018090 77 112 ARG N 0.766550 0.032960 78 113 VAL N 0.677840 0.018290 79 115 LYS N 0.714920 0.039230 80 116 LEU N 0.908100 0.018560 81 117 ASN N 0.964560 0.018180 82 118 GLU N 0.922000 0.017650 83 119 ILE N 0.882190 0.011570 84 120 SER N 0.816930 0.016390 85 121 LYS N 0.986050 0.011640 86 122 LEU N 0.889550 0.005690 87 123 GLY N 0.900230 0.008460 88 126 GLY N 1.016800 0.030700 89 127 ASP N 0.879070 0.020770 90 128 ILE N 0.946470 0.015660 91 129 ASP N 0.931380 0.010930 92 130 LEU N 0.918420 0.012570 93 131 THR N 0.944950 0.010460 94 132 SER N 0.919820 0.007840 95 133 ALA N 0.923760 0.011710 96 134 SER N 0.880780 0.010340 97 135 TYR N 0.929330 0.013480 98 136 THR N 0.907340 0.012900 99 137 MET N 0.803090 0.022720 100 138 ILE N 0.907540 0.007340 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 19.919 1.287 2 2 LEU CD2 17.489 0.798 3 3 ILE CD1 12.568 0.329 4 3 ILE CG2 24.618 0.641 5 8 LEU CD2 19.837 2.539 6 10 LEU CD1 31.912 5.963 7 14 VAL CG1 53.693 6.368 8 14 VAL CG2 32.768 3.542 9 15 VAL CG2 38.371 1.564 10 18 MET CE 5.930 0.178 11 19 LEU CD2 17.877 1.214 12 20 ILE CD1 8.468 0.758 13 21 THR CG2 21.924 2.127 14 22 ILE CG2 18.599 1.493 15 25 THR CG2 30.686 1.911 16 26 VAL CG2 15.585 2.618 17 30 ALA C2 37.721 6.710 18 33 ILE CG2 25.071 2.645 19 35 LEU CD1 34.634 2.290 20 35 LEU CD2 37.359 4.271 21 43 VAL CG1 21.291 2.536 22 43 VAL CG2 43.817 10.885 23 44 ALA C2 49.776 11.047 24 58 VAL CG1 31.914 2.904 25 59 ILE CG2 19.504 1.339 26 60 VAL CG2 20.728 1.966 27 63 THR CG2 17.152 2.031 28 77 VAL CG2 20.681 1.060 29 88 ILE CG2 18.028 1.304 30 91 LEU CD1 19.950 1.685 31 92 VAL CG1 23.504 2.228 32 92 VAL CG2 15.191 1.623 33 99 VAL CG1 20.740 2.138 34 100 ALA C2 23.571 1.681 35 101 VAL CG1 35.578 4.341 36 104 ALA C2 19.778 0.968 37 106 LEU CD1 34.824 8.576 38 116 LEU CD1 31.508 4.389 39 116 LEU CD2 32.676 3.322 40 119 ILE CD1 12.124 0.857 41 119 ILE CG2 15.433 2.051 42 122 LEU CD1 7.528 4.783 43 124 ILE CD1 11.099 0.960 44 124 ILE CG2 15.665 2.594 45 136 THR CG2 22.700 1.309 46 137 MET CE 9.154 0.147 47 138 ILE CD1 9.834 0.377 48 138 ILE CG2 19.805 0.786 stop_ save_ save_Methyl_T1_600 _Saveframe_category T1_relaxation _Details . loop_ _Software_label $PINT stop_ loop_ _Sample_label $15N stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 599882216882216 _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 20.188 1.153 2 2 LEU CD2 15.643 0.590 3 3 ILE CD1 11.648 0.286 4 3 ILE CG2 22.845 0.629 5 8 LEU CD2 15.893 2.138 6 10 LEU CD1 17.102 2.691 7 14 VAL CG1 35.112 4.537 8 14 VAL CG2 30.804 3.147 9 15 VAL CG2 35.345 1.213 10 18 MET CE 4.342 0.158 11 19 LEU CD1 38.712 9.582 12 19 LEU CD2 14.230 0.841 13 20 ILE CD1 6.578 0.789 14 21 THR CG2 22.527 1.897 15 22 ILE CG2 14.802 1.399 16 25 THR CG2 30.088 1.542 17 26 VAL CG2 17.215 2.634 18 30 ALA C2 34.897 6.101 19 33 ILE CG2 19.605 2.896 20 35 LEU CD1 30.881 1.593 21 35 LEU CD2 26.718 3.267 22 43 VAL CG1 18.272 2.283 23 44 ALA C2 37.552 9.563 24 58 VAL CG1 26.330 2.630 25 59 ILE CG2 14.365 1.099 26 60 VAL CG2 29.573 12.999 27 63 THR CG2 17.984 3.384 28 77 VAL CG2 19.396 0.907 29 88 ILE CG2 13.338 1.120 30 91 LEU CD1 13.339 0.926 31 92 VAL CG1 16.991 1.823 32 92 VAL CG2 13.366 1.208 33 99 VAL CG1 17.175 1.936 34 100 ALA C2 22.155 1.601 35 101 VAL CG1 33.835 4.171 36 104 ALA C2 18.971 1.011 37 106 LEU CD1 29.063 5.785 38 116 LEU CD1 21.735 2.766 39 116 LEU CD2 28.115 2.678 40 119 ILE CD1 12.921 1.345 41 119 ILE CG2 13.915 1.984 42 124 ILE CD1 8.809 0.854 43 124 ILE CG2 14.853 2.843 44 136 THR CG2 23.628 1.269 45 137 MET CE 7.868 0.168 46 138 ILE CD1 8.377 0.347 47 138 ILE CG2 18.602 0.627 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 1.377740 0.100590 2 50 ARG NE 1.674310 0.071940 3 56 ARG NE 1.654010 0.115380 4 74 ARG NE 1.735730 0.117790 5 112 ARG NE 1.849410 0.081150 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 1.182750 0.053250 2 50 ARG NE 1.335480 0.064060 3 56 ARG NE 1.279890 0.022670 4 74 ARG NE 1.442860 0.083580 5 112 ARG NE 1.373510 0.031730 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 7.954380 0.132580 . . 2 4 VAL N 8.812790 0.127170 . . 3 6 TYR N 9.414020 0.208970 . . 4 7 ASN N 9.646380 0.423710 . . 5 8 LEU N 9.391380 0.219240 . . 6 10 LEU N 9.092380 0.169040 . . 7 13 GLY N 9.961000 0.192770 . . 8 14 VAL N 9.415280 0.195790 . . 9 15 VAL N 10.708330 0.286590 . . 10 17 ARG N 10.559550 0.233250 . . 11 18 MET N 9.679890 0.231400 . . 12 19 LEU N 9.835870 0.300290 . . 13 20 ILE N 9.803400 0.227180 . . 14 22 ILE N 9.896680 0.122700 . . 15 23 LEU N 9.828990 0.220110 . . 16 24 GLY N 9.874100 0.205170 . . 17 25 THR N 9.192810 0.122450 . . 18 27 LYS N 10.057730 0.146220 . . 19 30 ALA N 8.840020 0.209840 . . 20 31 ASN N 9.717730 0.342550 . . 21 33 ILE N 10.158800 0.368720 . . 22 34 ALA N 10.841900 0.397750 . . 23 35 LEU N 11.554630 0.421840 . . 24 36 ASP N 9.595330 0.228290 . . 25 38 GLN N 9.627920 0.238490 . . 26 39 ARG N 10.751340 0.242870 . . 27 42 ASP N 10.203500 0.225360 . . 28 43 VAL N 10.172860 0.239560 . . 29 45 PHE N 10.470250 0.405430 . . 30 46 HIS N 10.458460 0.528540 . . 31 47 PHE N 9.952900 0.317340 . . 32 51 PHE N 10.423300 0.149590 . . 33 55 ASN N 9.819820 0.314050 . . 34 56 ARG N 9.356840 0.179440 . . 35 57 ARG N 8.995600 0.172620 . . 36 58 VAL N 9.754520 0.243870 . . 37 59 ILE N 12.280420 0.829670 . . 38 60 VAL N 9.705350 0.290560 . . 39 61 CYS N 11.242760 0.401550 . . 40 62 ASN N 10.319000 0.152640 . . 41 63 THR N 10.677240 0.459400 . . 42 64 LYS N 11.139600 0.230050 . . 43 65 LEU N 10.472440 0.284570 . . 44 66 ASP N 9.503850 0.228390 . . 45 67 ASN N 11.065370 0.229770 . . 46 68 ASN N 9.936620 0.158860 . . 47 69 TRP N 10.404280 0.361970 . . 48 70 GLY N 10.269500 0.246280 . . 49 71 ARG N 10.020390 0.102350 . . 50 74 ARG N 11.773720 1.089600 . . 51 75 GLN N 9.737400 0.306760 . . 52 77 VAL N 12.732990 0.241690 . . 53 78 PHE N 10.929850 0.400770 . . 54 80 PHE N 7.403880 0.170790 . . 55 82 SER N 10.587440 0.397860 . . 56 83 GLY N 10.017460 0.373500 . . 57 84 LYS N 9.672080 0.227410 . . 58 86 PHE N 9.561740 0.213160 . . 59 87 LYS N 9.854980 0.214260 . . 60 88 ILE N 9.586540 0.176150 . . 61 90 VAL N 10.084900 0.129790 . . 62 91 LEU N 10.154860 0.271070 . . 63 92 VAL N 10.306820 0.324640 . . 64 95 ASP N 11.106200 0.563440 . . 65 96 HIS N 11.923860 0.246560 . . 66 97 PHE N 9.826250 0.235110 . . 67 98 LYS N 13.452650 0.483130 . . 68 100 ALA N 9.927470 0.184290 . . 69 101 VAL N 10.669790 0.158720 . . 70 102 ASN N 9.787150 0.309540 . . 71 103 ASP N 11.191280 0.259000 . . 72 104 ALA N 9.413040 0.178580 . . 73 107 LEU N 15.692590 0.603040 . . 74 108 GLN N 10.577370 0.124890 . . 75 110 ASN N 10.296330 0.286950 . . 76 111 HIS N 9.596700 0.148350 . . 77 112 ARG N 10.688650 0.589980 . . 78 113 VAL N 9.678110 0.326180 . . 79 115 LYS N 11.016400 0.417660 . . 80 116 LEU N 9.286700 0.270080 . . 81 117 ASN N 10.174580 0.332950 . . 82 118 GLU N 10.084170 0.317190 . . 83 119 ILE N 9.915160 0.221630 . . 84 120 SER N 8.591030 0.299120 . . 85 121 LYS N 10.401080 0.243780 . . 86 122 LEU N 9.665710 0.132670 . . 87 123 GLY N 10.770450 0.284320 . . 88 126 GLY N 10.448760 0.673110 . . 89 127 ASP N 10.353830 0.412190 . . 90 128 ILE N 9.311990 0.512420 . . 91 129 ASP N 9.593030 0.227420 . . 92 130 LEU N 8.839780 0.172060 . . 93 131 THR N 10.419000 0.187590 . . 94 132 SER N 10.039260 0.268240 . . 95 133 ALA N 9.990360 0.133840 . . 96 134 SER N 9.530780 0.182920 . . 97 135 TYR N 9.611380 0.099380 . . 98 136 THR N 9.968750 0.108610 . . 99 137 MET N 9.412520 0.091340 . . 100 138 ILE N 9.306290 0.087740 . . 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 8.535890 0.060210 . . 2 4 VAL N 9.440460 0.099950 . . 3 6 TYR N 10.060040 0.327300 . . 4 7 ASN N 10.507180 0.162340 . . 5 8 LEU N 10.182890 0.195140 . . 6 10 LEU N 9.749350 0.117420 . . 7 13 GLY N 10.451730 0.110340 . . 8 14 VAL N 9.953380 0.165380 . . 9 15 VAL N 11.116510 0.129250 . . 10 17 ARG N 10.552120 0.158970 . . 11 18 MET N 10.554000 0.056360 . . 12 19 LEU N 11.001740 0.157860 . . 13 20 ILE N 10.249190 0.208380 . . 14 22 ILE N 10.387160 0.116000 . . 15 23 LEU N 10.803710 0.143590 . . 16 24 GLY N 9.888180 0.281710 . . 17 25 THR N 10.238450 0.163590 . . 18 27 LYS N 10.976390 0.328740 . . 19 30 ALA N 9.354050 0.110130 . . 20 31 ASN N 10.536560 0.194520 . . 21 33 ILE N 9.972150 0.196890 . . 22 34 ALA N 10.525570 0.210940 . . 23 35 LEU N 12.408990 0.289990 . . 24 36 ASP N 10.157590 0.197320 . . 25 38 GLN N 10.282300 0.194230 . . 26 39 ARG N 10.698930 0.145040 . . 27 42 ASP N 11.365060 0.148430 . . 28 43 VAL N 11.059100 0.148440 . . 29 45 PHE N 10.982460 0.152140 . . 30 46 HIS N 11.255150 0.414590 . . 31 47 PHE N 10.381820 0.235650 . . 32 51 PHE N 10.715610 0.317120 . . 33 55 ASN N 9.963960 0.197840 . . 34 56 ARG N 9.617280 0.126130 . . 35 57 ARG N 9.153910 0.107850 . . 36 58 VAL N 10.240570 0.111500 . . 37 59 ILE N 11.858650 0.720330 . . 38 60 VAL N 10.595460 0.279600 . . 39 61 CYS N 11.702000 0.128100 . . 40 62 ASN N 10.728040 0.251600 . . 41 63 THR N 10.929210 0.178680 . . 42 64 LYS N 10.643570 0.334930 . . 43 65 LEU N 10.695330 0.155100 . . 44 66 ASP N 10.526540 0.235670 . . 45 67 ASN N 11.230910 0.132900 . . 46 68 ASN N 10.147790 0.123060 . . 47 69 TRP N 11.009260 0.186430 . . 48 70 GLY N 10.287070 0.219340 . . 49 71 ARG N 10.799450 0.172930 . . 50 74 ARG N 13.065600 0.486130 . . 51 75 GLN N 10.546680 0.259660 . . 52 77 VAL N 13.957200 0.112690 . . 53 78 PHE N 11.432170 0.315850 . . 54 80 PHE N 8.050090 0.145540 . . 55 82 SER N 10.502190 0.228550 . . 56 83 GLY N 9.958420 0.206270 . . 57 84 LYS N 10.220700 0.166100 . . 58 86 PHE N 9.875130 0.104000 . . 59 87 LYS N 10.677900 0.114750 . . 60 88 ILE N 10.194740 0.136230 . . 61 90 VAL N 10.590170 0.216080 . . 62 91 LEU N 10.934880 0.263470 . . 63 92 VAL N 11.199940 0.149590 . . 64 95 ASP N 12.526020 0.558450 . . 65 96 HIS N 12.546750 0.220560 . . 66 97 PHE N 10.664210 0.170990 . . 67 98 LYS N 16.049500 0.319470 . . 68 100 ALA N 10.540510 0.170290 . . 69 101 VAL N 11.618210 0.160050 . . 70 102 ASN N 10.544750 0.262800 . . 71 103 ASP N 11.547590 0.192940 . . 72 104 ALA N 9.943100 0.118680 . . 73 107 LEU N 16.519950 0.254450 . . 74 108 GLN N 10.949700 0.148610 . . 75 110 ASN N 11.094030 0.257540 . . 76 111 HIS N 10.546160 0.218820 . . 77 112 ARG N 11.408580 0.173400 . . 78 113 VAL N 9.810010 0.067320 . . 79 115 LYS N 10.452610 0.430000 . . 80 116 LEU N 10.037490 0.117950 . . 81 117 ASN N 11.101510 0.105850 . . 82 118 GLU N 10.132400 0.167650 . . 83 119 ILE N 10.779480 0.072930 . . 84 120 SER N 9.089990 0.131110 . . 85 121 LYS N 11.278860 0.088610 . . 86 122 LEU N 10.083810 0.136820 . . 87 123 GLY N 10.543200 0.196070 . . 88 126 GLY N 10.757060 0.464350 . . 89 127 ASP N 11.066110 0.252260 . . 90 128 ILE N 11.553830 0.204210 . . 91 129 ASP N 10.222210 0.118190 . . 92 130 LEU N 9.690680 0.103470 . . 93 131 THR N 10.957810 0.256320 . . 94 132 SER N 10.092500 0.135160 . . 95 133 ALA N 10.258330 0.105030 . . 96 134 SER N 10.329810 0.076900 . . 97 135 TYR N 10.404150 0.132210 . . 98 136 THR N 10.636170 0.159850 . . 99 137 MET N 9.658880 0.152000 . . 100 138 ILE N 9.786110 0.079650 . . 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 10.484320 0.143630 . . 2 4 VAL N 11.475830 0.094610 . . 3 6 TYR N 12.284580 0.166580 . . 4 7 ASN N 10.675430 0.563910 . . 5 8 LEU N 11.989460 0.289970 . . 6 10 LEU N 11.083980 0.186430 . . 7 13 GLY N 12.318820 0.646880 . . 8 14 VAL N 12.133270 0.275710 . . 9 15 VAL N 13.854950 0.092730 . . 10 17 ARG N 12.143930 0.140260 . . 11 18 MET N 13.747140 0.198080 . . 12 19 LEU N 13.473940 0.270310 . . 13 20 ILE N 12.009980 0.180490 . . 14 22 ILE N 12.274950 0.179140 . . 15 23 LEU N 12.182250 0.251590 . . 16 24 GLY N 12.652010 0.300630 . . 17 25 THR N 11.293040 0.221850 . . 18 27 LYS N 13.589160 0.233480 . . 19 30 ALA N 11.662370 0.451450 . . 20 31 ASN N 11.446040 0.218530 . . 21 33 ILE N 11.818100 0.306840 . . 22 34 ALA N 12.892300 0.208100 . . 23 35 LEU N 13.419630 0.424980 . . 24 36 ASP N 11.525420 0.288140 . . 25 38 GLN N 11.726200 0.411700 . . 26 39 ARG N 11.673250 0.444920 . . 27 42 ASP N 12.753100 0.663600 . . 28 43 VAL N 12.154070 0.371710 . . 29 45 PHE N 12.627300 0.289250 . . 30 46 HIS N 12.346000 0.466380 . . 31 47 PHE N 12.283300 0.442970 . . 32 51 PHE N 12.059520 0.423110 . . 33 55 ASN N 10.696490 0.616970 . . 34 56 ARG N 11.113960 0.383550 . . 35 57 ARG N 10.811140 0.335500 . . 36 58 VAL N 12.131660 0.409560 . . 37 59 ILE N 13.548380 0.920670 . . 38 60 VAL N 11.898960 0.449240 . . 39 61 CYS N 13.855180 0.444250 . . 40 62 ASN N 12.346810 0.513270 . . 41 63 THR N 11.013620 0.625940 . . 42 64 LYS N 12.957860 0.556950 . . 43 65 LEU N 11.571110 0.283300 . . 44 66 ASP N 11.410310 0.300900 . . 45 67 ASN N 13.695250 0.483270 . . 46 68 ASN N 11.783890 0.466600 . . 47 69 TRP N 10.930440 0.837300 . . 48 70 GLY N 10.948400 0.642280 . . 49 71 ARG N 11.502340 0.354590 . . 50 74 ARG N 12.298850 1.280730 . . 51 75 GLN N 11.560630 0.450120 . . 52 77 VAL N 18.539050 0.554150 . . 53 78 PHE N 11.545200 0.718360 . . 54 80 PHE N 9.856860 0.194470 . . 55 82 SER N 10.978780 0.895340 . . 56 83 GLY N 11.382440 0.249290 . . 57 84 LYS N 12.705270 0.225850 . . 58 86 PHE N 12.117600 0.199880 . . 59 87 LYS N 12.147410 0.226870 . . 60 88 ILE N 11.865120 0.297180 . . 61 90 VAL N 12.877200 0.183590 . . 62 91 LEU N 13.142730 0.309060 . . 63 92 VAL N 14.133010 0.244560 . . 64 95 ASP N 20.510130 0.974070 . . 65 96 HIS N 17.130930 0.513890 . . 66 97 PHE N 12.181580 0.442260 . . 67 98 LYS N 24.861050 0.380730 . . 68 100 ALA N 13.411060 0.236800 . . 69 101 VAL N 13.130180 0.197930 . . 70 102 ASN N 12.405320 0.322360 . . 71 103 ASP N 13.976740 0.395500 . . 72 104 ALA N 11.867700 0.356250 . . 73 107 LEU N 18.859160 0.455140 . . 74 108 GLN N 13.836620 0.426620 . . 75 110 ASN N 12.860080 0.606140 . . 76 111 HIS N 12.037610 0.468910 . . 77 112 ARG N 11.384660 0.771410 . . 78 113 VAL N 9.835560 0.639480 . . 79 115 LYS N 10.401360 1.092110 . . 80 116 LEU N 11.136450 0.378540 . . 81 117 ASN N 12.653810 0.397830 . . 82 118 GLU N 11.641840 0.427830 . . 83 119 ILE N 12.660340 0.325640 . . 84 120 SER N 9.865410 0.403390 . . 85 121 LYS N 14.212580 0.313900 . . 86 122 LEU N 11.942800 0.219540 . . 87 123 GLY N 12.157780 0.236980 . . 88 126 GLY N 12.397000 0.438220 . . 89 127 ASP N 11.870460 0.284150 . . 90 128 ILE N 12.832110 0.187020 . . 91 129 ASP N 11.808040 0.209290 . . 92 130 LEU N 10.360850 0.152150 . . 93 131 THR N 13.605020 0.298480 . . 94 132 SER N 12.230160 0.163860 . . 95 133 ALA N 11.763330 0.323400 . . 96 134 SER N 11.730610 0.242630 . . 97 135 TYR N 11.857360 0.377870 . . 98 136 THR N 11.522620 0.264290 . . 99 137 MET N 10.506330 0.540290 . . 100 138 ILE N 11.141090 0.233090 . . 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 I(+,-) _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 73.163 4.051 . . 2 2 LEU CD2 68.917 3.035 . . 3 3 ILE CD1 36.856 1.148 . . 4 3 ILE CG2 69.086 1.754 . . 5 8 LEU CD2 98.258 11.482 . . 6 10 LEU CD1 88.938 13.203 . . 7 14 VAL CG1 121.854 11.618 . . 8 14 VAL CG2 113.146 8.949 . . 9 15 VAL CG2 61.472 2.084 . . 10 18 MET CE 55.460 1.137 . . 11 19 LEU CD2 72.444 4.500 . . 12 20 ILE CD1 43.730 3.757 . . 13 20 ILE CG2 115.574 26.797 . . 14 21 THR CG2 124.945 10.521 . . 15 22 ILE CG2 114.738 6.552 . . 16 25 THR CG2 100.219 6.788 . . 17 26 VAL CG2 124.560 12.874 . . 18 30 ALA C2 127.170 15.600 . . 19 33 ILE CD1 119.206 48.501 . . 20 33 ILE CG2 99.555 9.410 . . 21 35 LEU CD1 58.106 3.127 . . 22 35 LEU CD2 66.971 6.409 . . 23 43 VAL CG1 107.008 11.349 . . 24 43 VAL CG2 180.800 35.023 . . 25 44 ALA C2 151.916 23.047 . . 26 58 VAL CG1 86.135 6.169 . . 27 59 ILE CG2 101.246 5.521 . . 28 60 VAL CG2 106.350 27.440 . . 29 63 THR CG2 122.007 9.945 . . 30 77 VAL CG2 88.121 4.096 . . 31 88 ILE CG2 117.523 6.576 . . 32 91 LEU CD1 85.218 5.881 . . 33 92 VAL CG1 129.120 10.788 . . 34 92 VAL CG2 117.478 9.466 . . 35 99 VAL CG1 112.798 9.074 . . 36 100 ALA C2 138.785 7.835 . . 37 101 VAL CG1 141.822 10.869 . . 38 104 ALA C2 124.792 5.267 . . 39 106 LEU CD1 143.279 23.550 . . 40 106 LEU CD2 197.981 37.701 . . 41 107 LEU CD1 161.932 54.442 . . 42 116 LEU CD1 98.905 11.582 . . 43 116 LEU CD2 107.641 9.604 . . 44 119 ILE CD1 76.947 4.307 . . 45 119 ILE CG2 128.268 13.204 . . 46 122 LEU CD1 170.699 48.821 . . 47 122 LEU CD2 83.917 23.557 . . 48 124 ILE CD1 77.293 5.478 . . 49 124 ILE CG2 134.035 13.507 . . 50 136 THR CG2 85.788 4.031 . . 51 137 MET CE 60.610 0.810 . . 52 138 ILE CD1 55.837 1.890 . . 53 138 ILE CG2 85.193 2.673 . . 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 599882216 _T2_coherence_type I(+,-) _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 77.569 3.018 . . 2 2 LEU CD2 63.393 1.938 . . 3 3 ILE CD1 36.133 0.905 . . 4 3 ILE CG2 69.969 1.444 . . 5 8 LEU CD2 87.717 7.681 . . 6 10 LEU CD1 87.512 9.724 . . 7 14 VAL CG1 114.102 8.008 . . 8 14 VAL CG2 108.594 6.556 . . 9 15 VAL CG2 65.019 1.646 . . 10 18 MET CE 57.353 0.963 . . 11 19 LEU CD1 101.671 17.819 . . 12 19 LEU CD2 84.338 3.342 . . 13 20 ILE CD1 45.420 3.242 . . 14 20 ILE CG2 124.089 28.358 . . 15 21 THR CG2 118.969 7.831 . . 16 22 ILE CG2 107.483 5.684 . . 17 25 THR CG2 87.939 3.063 . . 18 26 VAL CG1 169.572 43.024 . . 19 26 VAL CG2 139.289 13.268 . . 20 30 ALA C2 147.068 17.859 . . 21 33 ILE CG2 107.041 9.807 . . 22 34 ALA C2 165.749 47.244 . . 23 35 LEU CD1 58.094 2.175 . . 24 35 LEU CD2 59.836 4.712 . . 25 43 VAL CG1 109.253 9.979 . . 26 43 VAL CG2 161.074 34.243 . . 27 44 ALA C2 162.443 15.200 . . 28 58 VAL CG1 81.498 5.850 . . 29 59 ILE CG2 107.917 5.052 . . 30 60 VAL CG2 137.110 36.554 . . 31 63 THR CG2 119.366 16.641 . . 32 77 VAL CG2 89.729 3.209 . . 33 88 ILE CG2 106.745 5.266 . . 34 91 LEU CD1 81.343 3.611 . . 35 92 VAL CG1 122.518 7.911 . . 36 92 VAL CG2 115.443 6.251 . . 37 99 VAL CG1 107.223 7.664 . . 38 100 ALA C2 125.927 6.181 . . 39 101 VAL CG1 116.799 8.874 . . 40 104 ALA C2 130.099 5.134 . . 41 106 LEU CD1 135.994 18.047 . . 42 106 LEU CD2 102.663 20.499 . . 43 107 LEU CD1 127.236 26.427 . . 44 116 LEU CD1 96.483 7.443 . . 45 116 LEU CD2 102.242 6.279 . . 46 119 ILE CD1 84.579 4.857 . . 47 119 ILE CG2 128.712 11.842 . . 48 122 LEU CD1 111.237 30.715 . . 49 122 LEU CD2 134.158 28.081 . . 50 124 ILE CD1 64.575 3.566 . . 51 124 ILE CG2 149.991 16.062 . . 52 136 THR CG2 86.462 3.597 . . 53 137 MET CE 61.183 0.850 . . 54 138 ILE CD1 50.972 1.408 . . 55 138 ILE CG2 84.298 2.223 . . 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 I(+,-) _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 6.550260 0.478420 . . 2 50 ARG NE 13.837440 0.925240 . . 3 56 ARG NE 8.321850 0.379910 . . 4 74 ARG NE 10.392010 0.952370 . . 5 112 ARG NE 10.493050 0.594980 . . 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 I(+,-) _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 7.253850 0.243890 . . 2 50 ARG NE 13.694760 0.356770 . . 3 56 ARG NE 8.339020 0.101380 . . 4 74 ARG NE 11.120810 0.172820 . . 5 112 ARG NE 10.986120 0.208750 . . stop_ save_ save_backbone_15N_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 0.643425 0.045185 4 VAL 0.586979 0.059770 6 TYR 0.683344 0.073655 7 ASN 0.551685 0.071347 8 LEU 0.651094 0.061378 10 LEU 0.720041 0.055226 13 GLY 0.710836 0.048170 14 VAL 0.712208 0.060030 15 VAL 0.714327 0.069784 17 ARG 0.603769 0.066533 18 MET 0.765853 0.063564 19 LEU 0.726043 0.076072 20 ILE 0.687143 0.057011 22 ILE 0.734297 0.056513 23 LEU 0.753312 0.065182 24 GLY 0.653220 0.048833 25 THR 0.777489 0.066157 27 LYS 0.708829 0.102739 30 ALA 0.646910 0.040146 31 ASN 0.631055 0.088204 33 ILE 0.642329 0.057908 34 ALA 0.566791 0.080337 35 LEU 0.747286 0.176938 36 ASP 0.576730 0.068011 38 GLN 0.688468 0.072584 39 ARG 0.815497 0.077687 42 ASP 0.756070 0.058412 43 VAL 0.751752 0.117931 45 PHE 0.701854 0.057043 46 HIS 0.469921 0.102476 47 PHE 0.801009 0.086125 51 PHE 0.645173 0.101485 55 ASN 0.731958 0.073601 56 ARG 0.678620 0.039545 57 ARG 0.724339 0.060537 58 VAL 0.698043 0.072084 59 ILE 0.000000 0.000000 60 VAL 0.739249 0.099927 61 CYS 0.636369 0.072516 62 ASN 0.714216 0.066999 63 THR 0.831445 0.102361 64 LYS 0.657552 0.093345 65 LEU 0.720012 0.057856 66 ASP 0.630289 0.055896 67 ASN 0.706135 0.075255 68 ASN 0.782471 0.044019 69 TRP 0.694727 0.067815 70 GLY 0.674294 0.058239 71 ARG 0.000000 0.000000 74 ARG 0.616646 0.113272 75 GLN 0.744443 0.116117 77 VAL 0.812033 0.073774 78 PHE 0.780613 0.075967 80 PHE 0.649421 0.048564 82 SER 0.615245 0.076114 83 GLY 0.809417 0.093447 84 LYS 0.756157 0.052190 86 PHE 0.716241 0.067144 87 LYS 0.799651 0.064039 88 ILE 0.770783 0.053193 90 VAL 0.818297 0.068565 91 LEU 0.641556 0.066272 92 VAL 0.714218 0.078364 95 ASP 0.822787 0.107742 96 HIS 0.754328 0.068053 97 PHE 0.853794 0.093978 98 LYS 0.653016 0.058665 100 ALA 0.600848 0.056629 101 VAL 0.694335 0.065037 102 ASN 0.665369 0.056225 103 ASP 0.707593 0.061920 104 ALA 0.708608 0.040020 107 LEU 0.791194 0.068185 108 GLN 0.551024 0.058366 110 ASN 0.781073 0.096165 111 HIS 0.666212 0.063779 112 ARG 0.674943 0.094131 113 VAL 0.660633 0.078570 115 LYS 0.642073 0.093647 116 LEU 0.693565 0.056813 117 ASN 0.713211 0.049182 118 GLU 0.713469 0.051421 119 ILE 0.785124 0.054051 120 SER 0.708047 0.060007 121 LYS 0.813813 0.059033 122 LEU 0.708254 0.062528 123 GLY 0.728295 0.082181 126 GLY 0.748900 0.165581 127 ASP 0.651456 0.117500 128 ILE 0.848434 0.125814 129 ASP 0.564173 0.066181 130 LEU 0.651717 0.059545 131 THR 0.703795 0.092108 132 SER 0.786224 0.053678 133 ALA 0.761892 0.051452 134 SER 0.701940 0.048616 135 TYR 0.753384 0.052015 136 THR 0.733982 0.057272 137 MET 0.705275 0.047274 138 ILE 0.539740 0.049555 stop_ save_ save_backbone_15N_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 0.494161 0.034245 4 VAL 0.496268 0.049100 6 TYR 0.541756 0.048055 7 ASN 0.606723 0.063412 8 LEU 0.656408 0.051964 10 LEU 0.614097 0.039160 13 GLY 0.597415 0.035785 14 VAL 0.615455 0.041783 15 VAL 0.726168 0.053742 17 ARG 0.677955 0.052990 18 MET 0.578645 0.035737 19 LEU 0.686131 0.055639 20 ILE 0.651040 0.044916 22 ILE 0.698112 0.043046 23 LEU 0.655204 0.042333 24 GLY 0.653464 0.036873 25 THR 0.656103 0.043701 27 LYS 0.584717 0.079324 30 ALA 0.508901 0.027385 31 ASN 0.533156 0.066398 33 ILE 0.634486 0.053596 34 ALA 0.568313 0.056715 35 LEU 0.625446 0.113475 36 ASP 0.545477 0.045347 38 GLN 0.689524 0.052019 39 ARG 0.557963 0.044395 42 ASP 0.690927 0.044326 43 VAL 0.526571 0.061492 45 PHE 0.585990 0.046565 46 HIS 0.739160 0.098035 47 PHE 0.633108 0.057021 51 PHE 0.678307 0.093329 55 ASN 0.588049 0.049924 56 ARG 0.556749 0.034961 57 ARG 0.530028 0.040998 58 VAL 0.598712 0.048585 59 ILE 0.605627 0.070704 60 VAL 0.676490 0.073098 61 CYS 0.586020 0.054273 62 ASN 0.579931 0.043698 63 THR 0.582962 0.065248 64 LYS 0.661304 0.065535 65 LEU 0.650771 0.050390 66 ASP 0.584390 0.048739 67 ASN 0.611975 0.049015 68 ASN 0.647392 0.033269 69 TRP 0.624077 0.046737 70 GLY 0.644532 0.050088 71 ARG 0.612664 0.039769 74 ARG 0.545911 0.085763 75 GLN 0.684420 0.080239 77 VAL 0.583224 0.043866 78 PHE 0.627225 0.060143 80 PHE 0.665757 0.044936 82 SER 0.564808 0.051576 83 GLY 0.550333 0.048244 84 LYS 0.541939 0.030518 86 PHE 0.630082 0.041496 87 LYS 0.616283 0.047220 88 ILE 0.647033 0.040290 90 VAL 0.722552 0.050006 91 LEU 0.715628 0.055346 92 VAL 0.648005 0.050642 95 ASP 0.652504 0.074025 96 HIS 0.588649 0.041875 97 PHE 0.656893 0.052894 98 LYS 0.588460 0.053172 100 ALA 0.623746 0.041767 101 VAL 0.603367 0.041172 102 ASN 0.656750 0.046625 103 ASP 0.600523 0.041431 104 ALA 0.637840 0.034608 107 LEU 0.738167 0.066354 108 GLN 0.623934 0.045700 110 ASN 0.651235 0.061979 111 HIS 0.643193 0.046593 112 ARG 0.594353 0.062824 113 VAL 0.594718 0.059787 115 LYS 0.515084 0.058234 116 LEU 0.642469 0.049500 117 ASN 0.626651 0.038395 118 GLU 0.591662 0.040330 119 ILE 0.622631 0.039417 120 SER 0.578183 0.045161 121 LYS 0.643757 0.037276 122 LEU 0.607985 0.042371 123 GLY 0.636777 0.055165 126 GLY 0.561068 0.098080 127 ASP 0.524383 0.077522 128 ILE 0.546250 0.077198 129 ASP 0.692833 0.048225 130 LEU 0.616713 0.040486 131 THR 0.616338 0.051783 132 SER 0.626077 0.037263 133 ALA 0.598348 0.039819 134 SER 0.614630 0.033569 135 TYR 0.639108 0.037659 136 THR 0.667906 0.041504 137 MET 0.624054 0.036986 138 ILE 0.603928 0.038934 stop_ save_ save_backbone_15N_Het_NOE_900 _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $VNMRJ 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 0.709082 0.013668 4 VAL 0.680475 0.022675 6 TYR 0.856535 0.027184 7 ASN 0.869522 0.029786 8 LEU 0.807569 0.023057 10 LEU 0.829752 0.016792 13 GLY 0.833114 0.016442 14 VAL 0.778905 0.017301 15 VAL 0.799675 0.017458 17 ARG 0.842756 0.021227 18 MET 0.845050 0.019035 19 LEU 0.878321 0.024145 20 ILE 0.855060 0.019891 22 ILE 0.858033 0.017393 23 LEU 0.886835 0.017291 24 GLY 0.844346 0.016604 25 THR 0.836993 0.017870 27 LYS 0.868564 0.037966 30 ALA 0.738318 0.011920 31 ASN 0.840644 0.042056 33 ILE 0.844226 0.022159 34 ALA 0.854006 0.028530 35 LEU 0.875835 0.048660 36 ASP 0.863158 0.025268 38 GLN 0.841694 0.019952 39 ARG 0.853701 0.023816 42 ASP 0.815247 0.017032 43 VAL 0.818561 0.029943 45 PHE 0.850907 0.021124 46 HIS 0.812068 0.057047 47 PHE 0.859562 0.027083 51 PHE 0.822671 0.037267 55 ASN 0.786869 0.024362 56 ARG 0.780236 0.013359 57 ARG 0.783518 0.017784 58 VAL 0.831502 0.022426 59 ILE 0.841479 0.036003 60 VAL 0.865186 0.036469 61 CYS 0.888188 0.028341 62 ASN 0.830997 0.019632 63 THR 0.835937 0.033991 64 LYS 0.880836 0.031923 65 LEU 0.848154 0.020706 66 ASP 0.827046 0.022995 67 ASN 0.857445 0.028268 68 ASN 0.781122 0.013050 69 TRP 0.852973 0.019411 70 GLY 0.834812 0.020120 71 ARG 0.851994 0.019524 74 ARG 0.800377 0.047132 75 GLN 0.803511 0.030508 77 VAL 0.804007 0.019679 78 PHE 0.837362 0.023693 80 PHE 0.751653 0.014868 82 SER 0.809869 0.022912 83 GLY 0.831989 0.026871 84 LYS 0.835969 0.015937 86 PHE 0.864628 0.019348 87 LYS 0.806721 0.018597 88 ILE 0.869616 0.018639 90 VAL 0.898928 0.020063 91 LEU 0.907878 0.032266 92 VAL 0.875899 0.026943 95 ASP 0.846686 0.046878 96 HIS 0.851504 0.026382 97 PHE 0.851287 0.025937 98 LYS 0.833746 0.028039 100 ALA 0.877028 0.021917 101 VAL 0.835725 0.021498 102 ASN 0.850117 0.021230 103 ASP 0.855392 0.020236 104 ALA 0.834894 0.014393 107 LEU 0.835326 0.028813 108 GLN 0.858139 0.019359 110 ASN 0.917030 0.036596 111 HIS 0.864799 0.024531 112 ARG 0.836781 0.029589 113 VAL 0.778346 0.023868 115 LYS 0.719457 0.027444 116 LEU 0.821667 0.018223 117 ASN 0.837977 0.015226 118 GLU 0.826702 0.017376 119 ILE 0.812482 0.018176 120 SER 0.697858 0.016199 121 LYS 0.843519 0.014247 122 LEU 0.874384 0.019086 123 GLY 0.831753 0.031169 126 GLY 0.853876 0.048761 127 ASP 0.826442 0.039222 128 ILE 0.823997 0.036803 129 ASP 0.858043 0.019386 130 LEU 0.820391 0.022752 131 THR 0.840502 0.023237 132 SER 0.875240 0.017884 133 ALA 0.855321 0.015266 134 SER 0.849738 0.015596 135 TYR 0.838972 0.014743 136 THR 0.811339 0.015710 137 MET 0.806389 0.013698 138 ILE 0.795579 0.016323 stop_ save_ save_Arg_Ne_Het_NOE_500 _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' 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 0.206684 0.034300 50 ARG 0.758271 0.095556 56 ARG 0.440710 0.034177 74 ARG 0.663446 0.082151 112 ARG 0.713325 0.036203 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 0.135442 0.017669 50 ARG 0.705685 0.061847 56 ARG 0.421443 0.021549 74 ARG 0.743633 0.053628 112 ARG 0.759183 0.028799 stop_ save_ save_Backbone_order_parameters _Saveframe_category S2_parameters _Details . loop_ _Software_label $Relax stop_ loop_ _Sample_label $15N $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 . 0.677675219576219 0.004332725204598 . . . . . . . . . . . . 4 VAL N . 0.734809680835697 0.005026225869602 . . . . . . . . . . . . 6 TYR N . 0.823140536031718 0.009116383137228 . . . . . . . . . . . . 7 ASN N . 0.845200892016926 0.012219948922570 . . . . . . . . . . . . 8 LEU N . 0.815116961103370 0.009753676759300 . . . . . . . . . . . . 10 LEU N . 0.777008057107651 0.007236030869547 . . . . . . . . . . . . 13 GLY N . 0.851909389515212 0.007214907503735 . . . . . . . . . . . . 14 VAL N . 0.789876747421500 0.008811827161304 . . . . . . . . . . . . 15 VAL N . 0.827230745452155 0.006308704967415 . . . . . . . . . . . . 17 ARG N . 0.808014311061875 0.008013015396446 . . . . . . . . . . . . 18 MET N . 0.858157103813916 0.004812310283528 . . . . . . . . . . . . 19 LEU N . 0.873532828737023 0.011715415649024 . . . . . . . . . . . . 20 ILE N . 0.796472591326609 0.010431124509854 . . . . . . . . . . . . 22 ILE N . 0.854470196095441 0.003901981967331 . . . . . . . . . . . . 23 LEU N . 0.855885215238561 0.004435056726064 . . . . . . . . . . . . 24 GLY N . 0.848926261982425 0.010868347824711 . . . . . . . . . . . . 25 THR N . 0.824287144459443 0.004378734486662 . . . . . . . . . . . . 27 LYS N . 0.886361124675159 0.006381991821071 . . . . . . . . . . . . 30 ALA N . 0.758921263336080 0.008159239760699 . . . . . . . . . . . . 31 ASN N . 0.792209257634684 0.007651908434057 . . . . . . . . . . . . 33 ILE N . 0.832109528951128 0.009289870307609 . . . . . . . . . . . . 34 ALA N . 0.849015572734864 0.009549851056270 . . . . . . . . . . . . 35 LEU N . 0.865190617786864 0.012908740829747 . . . . . . . . . . . . 36 ASP N . 0.806786133154464 0.004359197468918 . . . . . . . . . . . . 38 GLN N . 0.828633744195369 0.006887641019679 . . . . . . . . . . . . 39 ARG N . 0.849083803150924 0.006825736756585 . . . . . . . . . . . . 42 ASP N . 0.849900122182725 0.008385805052926 . . . . . . . . . . . . 43 VAL N . 0.847024396246928 0.006215569952293 . . . . . . . . . . . . 45 PHE N . 0.870785641539099 0.006502060743661 . . . . . . . . . . . . 46 HIS N . 0.860188478969081 0.012435892701410 . . . . . . . . . . . . 47 PHE N . 0.861253785847053 0.006839686480967 . . . . . . . . . . . . 51 PHE N . 0.874859300421176 0.008392210244781 . . . . . . . . . . . . 55 ASN N . 0.843215413336078 0.013833552912553 . . . . . . . . . . . . 56 ARG N . 0.791585219753932 0.006644111386490 . . . . . . . . . . . . 57 ARG N . 0.770024465900367 0.007426641462174 . . . . . . . . . . . . 58 VAL N . 0.849897173531405 0.005881049925858 . . . . . . . . . . . . 59 ILE N . 0.929018966122077 0.020476859029288 . . . . . . . . . . . . 61 CYS N . 0.851843119954774 0.007778750371287 . . . . . . . . . . . . 62 ASN N . 0.872180981150108 0.009084269467101 . . . . . . . . . . . . 63 THR N . 0.810752051030274 0.009456580394772 . . . . . . . . . . . . 64 LYS N . 0.898719085657718 0.008766300641992 . . . . . . . . . . . . 66 ASP N . 0.808720281530797 0.012233856679660 . . . . . . . . . . . . 67 ASN N . 0.864820010333651 0.009385515324491 . . . . . . . . . . . . 68 ASN N . 0.797844830098772 0.007245817850349 . . . . . . . . . . . . 69 TRP N . 0.879471063793915 0.009359807256566 . . . . . . . . . . . . 70 GLY N . 0.842038177964175 0.007661586792429 . . . . . . . . . . . . 71 ARG N . 0.858331662142362 0.007617218199203 . . . . . . . . . . . . 74 ARG N . 0.811696540201646 0.024108863881885 . . . . . . . . . . . . 75 GLN N . 0.864055761920370 0.007913894535132 . . . . . . . . . . . . 78 PHE N . 0.898017436611457 0.013386415860982 . . . . . . . . . . . . 80 PHE N . 0.641295867474190 0.007703519658295 . . . . . . . . . . . . 82 SER N . 0.831663213299387 0.014660861409800 . . . . . . . . . . . . 83 GLY N . 0.803085122986034 0.011424237682870 . . . . . . . . . . . . 84 LYS N . 0.816595997728270 0.009455075772963 . . . . . . . . . . . . 86 PHE N . 0.819171649533085 0.008287173493331 . . . . . . . . . . . . 87 LYS N . 0.853761043128958 0.004856589581890 . . . . . . . . . . . . 88 ILE N . 0.842762421356402 0.005073546363882 . . . . . . . . . . . . 90 VAL N . 0.831865824671153 0.005300580105608 . . . . . . . . . . . . 91 LEU N . 0.865758246399358 0.005827759892750 . . . . . . . . . . . . 92 VAL N . 0.882652237981341 0.004801064655323 . . . . . . . . . . . . 95 ASP N . 0.895333874410281 0.014286921747851 . . . . . . . . . . . . 96 HIS N . 0.897267396268463 0.008523494457932 . . . . . . . . . . . . 97 PHE N . 0.843634191536686 0.006528119401468 . . . . . . . . . . . . 98 LYS N . 0.816603075874874 0.008001858212993 . . . . . . . . . . . . 100 ALA N . 0.881696387768318 0.008376838814609 . . . . . . . . . . . . 101 VAL N . 0.842648870433965 0.007240715086498 . . . . . . . . . . . . 102 ASN N . 0.868899508010231 0.012160901390938 . . . . . . . . . . . . 103 ASP N . 0.870762987127679 0.008001745926423 . . . . . . . . . . . . 104 ALA N . 0.814674152106181 0.008877585006143 . . . . . . . . . . . . 107 LEU N . 0.890113468881970 0.007352610646369 . . . . . . . . . . . . 108 GLN N . 0.892455391710039 0.005925139463249 . . . . . . . . . . . . 110 ASN N . 0.885786861238875 0.008083843948507 . . . . . . . . . . . . 112 ARG N . 0.839313918843232 0.014238272765009 . . . . . . . . . . . . 113 VAL N . 0.731511795836237 0.007647663426150 . . . . . . . . . . . . 115 LYS N . 0.790900335184727 0.017036152222016 . . . . . . . . . . . . 116 LEU N . 0.822110476019499 0.010387800289869 . . . . . . . . . . . . 117 ASN N . 0.895935460507135 0.009029151517824 . . . . . . . . . . . . 118 GLU N . 0.852468898982932 0.012445819247385 . . . . . . . . . . . . 119 ILE N . 0.868490860883567 0.006201633484340 . . . . . . . . . . . . 120 SER N . 0.740648509474165 0.007783547519750 . . . . . . . . . . . . 121 LYS N . 0.918290526902190 0.006779635218435 . . . . . . . . . . . . 123 GLY N . 0.846922774526290 0.006489779988483 . . . . . . . . . . . . 127 ASP N . 0.843580183121904 0.011944694739488 . . . . . . . . . . . . 128 ILE N . 0.874265426979756 0.007405521085326 . . . . . . . . . . . . 129 ASP N . 0.830336241298962 0.008158858653088 . . . . . . . . . . . . 130 LEU N . 0.760193839432881 0.006725121563454 . . . . . . . . . . . . 131 THR N . 0.894079530859243 0.006596695992685 . . . . . . . . . . . . 132 SER N . 0.811014534223871 0.009302422472319 . . . . . . . . . . . . 133 ALA N . 0.848183949478512 0.007825665395280 . . . . . . . . . . . . 134 SER N . 0.837403958713031 0.005117142030140 . . . . . . . . . . . . 135 TYR N . 0.832569154153840 0.007342439443261 . . . . . . . . . . . . 136 THR N . 0.846271375263395 0.007601521555449 . . . . . . . . . . . . 137 MET N . 0.798542644168952 0.007803716286268 . . . . . . . . . . . . 138 ILE N . 0.783393474263224 0.004816762208656 . . . . . . . . . . . . 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 . 0.499 0.02 . . . . . . . . . . . . 2 LEU CD2 . 0.447 0.014 . . . . . . . . . . . . 3 ILE CD1 . 0.301 0.018 . . . . . . . . . . . . 3 ILE CG2 . 0.637 0.043 . . . . . . . . . . . . 8 LEU CD2 . 0.623 0.048 . . . . . . . . . . . . 10 LEU CD1 . 0.646 0.07 . . . . . . . . . . . . 14 VAL CG1 . 0.697 0.065 . . . . . . . . . . . . 14 VAL CG2 . 0.710 0.048 . . . . . . . . . . . . 15 VAL CG2 . 0.224 0.013 . . . . . . . . . . . . 18 MET CE . 0.461 0.006 . . . . . . . . . . . . 19 LEU CD2 . 0.537 0.028 . . . . . . . . . . . . 20 ILE CD1 . 0.453 0.017 . . . . . . . . . . . . 21 THR CG2 . 0.870 0.052 . . . . . . . . . . . . 25 THR CG2 . 0.519 0.023 . . . . . . . . . . . . 30 ALA C2 . 0.903 0.095 . . . . . . . . . . . . 33 ILE CG2 . 0.700 0.056 . . . . . . . . . . . . 35 LEU CD1 . 0.237 0.017 . . . . . . . . . . . . 35 LEU CD2 . 0.303 0.038 . . . . . . . . . . . . 43 VAL CG1 . 0.789 0.061 . . . . . . . . . . . . 58 VAL CG1 . 0.465 0.037 . . . . . . . . . . . . 59 ILE CG2 . 0.808 0.030 . . . . . . . . . . . . 60 VAL CG2 . 0.943 0.129 . . . . . . . . . . . . 63 THR CG2 . 0.907 0.062 . . . . . . . . . . . . 77 VAL CG2 . 0.629 0.021 . . . . . . . . . . . . 88 ILE CG2 . 0.838 0.032 . . . . . . . . . . . . 91 LEU CD1 . 0.617 0.024 . . . . . . . . . . . . 92 VAL CG1 . 0.923 0.045 . . . . . . . . . . . . 92 VAL CG2 . 0.919 0.040 . . . . . . . . . . . . 99 VAL CG1 . 0.801 0.047 . . . . . . . . . . . . 100 ALA C2 . 0.992 0.028 . . . . . . . . . . . . 101 VAL CG1 . 0.836 0.063 . . . . . . . . . . . . 104 ALA C2 . 0.924 0.027 . . . . . . . . . . . . 106 LEU CD1 . 0.906 0.097 . . . . . . . . . . . . 116 LEU CD1 . 0.677 0.056 . . . . . . . . . . . . 116 LEU CD2 . 0.665 0.049 . . . . . . . . . . . . 119 ILE CD1 . 0.600 0.026 . . . . . . . . . . . . 119 ILE CG2 . 0.581 0.037 . . . . . . . . . . . . 124 ILE CD1 . 0.529 0.021 . . . . . . . . . . . . 124 ILE CD2 . 0.965 0.056 . . . . . . . . . . . . 136 THR CG2 . 0.559 0.022 . . . . . . . . . . . . 137 MET CE . 0.457 0.004 . . . . . . . . . . . . 138 ILE CD1 . 0.403 0.009 . . . . . . . . . . . . 138 ILE CG2 . 0.484 0.012 . . . . . . . . . . . . 17 ARG NE . 0.574 0.014 . . . . . . . . . . . . 50 ARG NE . 0.785 0.026 . . . . . . . . . . . . 56 ARG NE . 0.680 0.007 . . . . . . . . . . . . 74 ARG NE . 0.811 0.036 . . . . . . . . . . . . 112 ARG NE . 0.799 0.016 . . . . . . . . . . . . stop_ _Tau_s_value_units . save_