data_50285 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and methyl chemical shift assignments, relaxation data and order parameters of Galectin-3C in complex with ortho-fluoroaryltriazole galactopyranosyl 1-thio-D-glucopyranoside derivative ; _BMRB_accession_number 50285 _BMRB_flat_file_name bmr50285.str _Entry_type original _Submission_date 2020-05-20 _Accession_date 2020-05-20 _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 Wallerstein Johan . . 2 'Misini Ignjatovic' Majda . . 3 Kumar Rohit . . 4 Caldararu Octav . . 5 Peterson Kristoffer . . 6 Leffler Hakon . . 7 Logan Derek . . 8 Nilsson Ulf J. . 9 Ryde Ulf . . 10 Akke Mikael . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 heteronucl_NOE 3 T1_relaxation 3 T2_relaxation 3 S2_parameters 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 207 "13C chemical shifts" 85 "15N chemical shifts" 122 "T1 relaxation values" 366 "T2 relaxation values" 366 "order parameters" 189 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-12-02 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 50283 'Galectin-3C in complex with ligand M (KOW)' 50284 'Galectin-3C in complex with ligand P (KOQ)' stop_ _Original_release_date 2020-05-20 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Entropy-Entropy Compensation Between the Conformational and Solvent Degrees of Freedom Fine-tunes Affinity in Ligand Binding to Galectin-3C ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wallerstein Johan . . 2 'Misini Ignjatovic' Majda . . 3 Kumar Rohit . . 4 Caldararu Octav . . 5 Peterson Kristoffer . . 6 Leffler Hakon . . 7 Logan Derek . . 8 Nilsson Ulf J. . 9 Ryde Ulf . . 10 Akke Mikael . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name O-galectin3-C _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label gal3C $entity_1 'ligand O' $entity_KP5 stop_ _System_molecular_weight 16200 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details ; Ligand O is: 3'-[4-(2-fluorophenyl)-1H-1,2,3-triazol-1-yl]-3'-deoxy-b-D-galactopyranosyl 1-thio-b-D-glucopyranoside. ; save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count . _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_ ############# # Ligands # ############# save_KP5 _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_KP5 ((2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol)" _BMRB_code KP5 _PDB_code KP5 _Molecular_mass 503.499 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C10 C10 C . 0 . ? C17 C17 C . 0 . ? C20 C20 C . 0 . ? C21 C21 C . 0 . ? C22 C22 C . 0 . ? C02 C02 C . 0 . ? C03 C03 C . 0 . ? C05 C05 C . 0 . ? C07 C07 C . 0 . ? C09 C09 C . 0 . ? C12 C12 C . 0 . ? C14 C14 C . 0 . ? C16 C16 C . 0 . ? C18 C18 C . 0 . ? C19 C19 C . 0 . ? C23 C23 C . 0 . ? C27 C27 C . 0 . ? C29 C29 C . 0 . ? C31 C31 C . 0 . ? C33 C33 C . 0 . ? F24 F24 F . 0 . ? N15 N15 N . 0 . ? N25 N25 N . 0 . ? N26 N26 N . 0 . ? O01 O01 O . 0 . ? O04 O04 O . 0 . ? O08 O08 O . 0 . ? O11 O11 O . 0 . ? O13 O13 O . 0 . ? O28 O28 O . 0 . ? O30 O30 O . 0 . ? O32 O32 O . 0 . ? O34 O34 O . 0 . ? S06 S06 S . 0 . ? H101 H101 H . 0 . ? H102 H102 H . 0 . ? H201 H201 H . 0 . ? H211 H211 H . 0 . ? H221 H221 H . 0 . ? H022 H022 H . 0 . ? H021 H021 H . 0 . ? H031 H031 H . 0 . ? H051 H051 H . 0 . ? H071 H071 H . 0 . ? H091 H091 H . 0 . ? H121 H121 H . 0 . ? H141 H141 H . 0 . ? H161 H161 H . 0 . ? H191 H191 H . 0 . ? H271 H271 H . 0 . ? H291 H291 H . 0 . ? H311 H311 H . 0 . ? H331 H331 H . 0 . ? H011 H011 H . 0 . ? H111 H111 H . 0 . ? H131 H131 H . 0 . ? H281 H281 H . 0 . ? H301 H301 H . 0 . ? H321 H321 H . 0 . ? H341 H341 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING C02 O01 ? ? SING C02 C03 ? ? SING C03 O04 ? ? SING C03 C33 ? ? DOUB N26 N25 ? ? SING N26 N15 ? ? SING O28 C27 ? ? SING O04 C05 ? ? SING N25 C17 ? ? SING O34 C33 ? ? SING C14 N15 ? ? SING C14 C27 ? ? SING C14 C12 ? ? SING C33 C31 ? ? SING N15 C16 ? ? SING C07 C27 ? ? SING C07 S06 ? ? SING C07 O08 ? ? SING C05 S06 ? ? SING C05 C29 ? ? SING C09 C12 ? ? SING C09 O08 ? ? SING C09 C10 ? ? DOUB C17 C16 ? ? SING C17 C18 ? ? DOUB C19 C18 ? ? SING C19 C20 ? ? SING C12 O13 ? ? SING O11 C10 ? ? SING C31 C29 ? ? SING C31 O32 ? ? SING C18 C23 ? ? DOUB C20 C21 ? ? SING C29 O30 ? ? SING C23 F24 ? ? DOUB C23 C22 ? ? SING C21 C22 ? ? SING C10 H101 ? ? SING C10 H102 ? ? SING C20 H201 ? ? SING C21 H211 ? ? SING C22 H221 ? ? SING C02 H022 ? ? SING C02 H021 ? ? SING C03 H031 ? ? SING C05 H051 ? ? SING C07 H071 ? ? SING C09 H091 ? ? SING C12 H121 ? ? SING C14 H141 ? ? SING C16 H161 ? ? SING C19 H191 ? ? SING C27 H271 ? ? SING C29 H291 ? ? SING C31 H311 ? ? SING C33 H331 ? ? SING O01 H011 ? ? SING O11 H111 ? ? SING O13 H131 ? ? SING O28 H281 ? ? SING O30 H301 ? ? SING O32 H321 ? ? SING O34 H341 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli BL21(DE3) plasmid 'pLysS pGal3CRD' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity_1 0.85 mM 0.8 0.9 '[U-100% 15N]' $entity_KP5 0.83 mM . . 'natural abundance' HEPES 5 mM . . 'natural abundance' D2O 10 % . . [U-2H] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity_1 0.85 mM 0.8 0.9 '[U-100% 13C; U-100% 15N]' $entity_KP5 0.83 mM . . 'natural abundance' HEPES 5 mM . . 'natural abundance' D2O 10 % . . [U-2H] stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity_1 0.85 mM 0.8 0.9 '[U-100% 13C; U-100% 15N; U-60% 2H]' $entity_KP5 0.83 mM . . 'natural abundance' HEPES 5 mM . . 'natural abundance' D2O 10 % . . [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name 'CcpNmr Analysis' _Version 2.0 loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name Chimera _Version 1.13 loop_ _Task 'data analysis' 'geometry optimization' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRPipe _Version . loop_ _Task 'data analysis' processing stop_ _Details . save_ save_software_4 _Saveframe_category software _Name NMRDraw _Version . loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name PiNT _Version 2.1.0 loop_ _Task 'chemical shift calculation' 'peak picking' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name Relax _Version 4.0.320 loop_ _Task 'data analysis' refinement stop_ _Details . save_ save_software_7 _Saveframe_category software _Name Matlab _Version 2018b loop_ _Task 'data analysis' 'model-free fitting' stop_ _Details 'In-house MATLAB routines employing the fmincon function to find the minimum of a constrained nonlinear multivariable function.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VNMRS _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'at Swedish NMR center' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_T1/R1_relaxation_500_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'T1/R1 relaxation 500' _Sample_label $sample_1 save_ save_T1/R1_relaxation_600_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'T1/R1 relaxation 600' _Sample_label $sample_1 save_ save_T1/R1_relaxation_800_4 _Saveframe_category NMR_applied_experiment _Experiment_name 'T1/R1 relaxation 800' _Sample_label $sample_1 save_ save_T2/R2_relaxation_500_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'T2/R2 relaxation 500' _Sample_label $sample_1 save_ save_T2/R2_relaxation_600_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'T2/R2 relaxation 600' _Sample_label $sample_1 save_ save_T2/R2_relaxation_800_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'T2/R2 relaxation 800' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_1H-15N_heteronoe_500_9 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N heteronoe 500' _Sample_label $sample_1 save_ save_1H-15N_heteronoe_600_10 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N heteronoe 600' _Sample_label $sample_1 save_ save_1H-15N_heteronoe_800_11 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N heteronoe 800' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_3D_HNCACB_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_R1(Dz)_methyl_500_16 _Saveframe_category NMR_applied_experiment _Experiment_name 'R1(Dz)_methyl 500' _Sample_label $sample_3 save_ save_R1(Dz)_methyl_600_17 _Saveframe_category NMR_applied_experiment _Experiment_name 'R1(Dz)_methyl 600' _Sample_label $sample_3 save_ save_R2(D+)_methyl_500_18 _Saveframe_category NMR_applied_experiment _Experiment_name 'R2(D+)_methyl 500' _Sample_label $sample_3 save_ save_R2(D+)_methyl_600_19 _Saveframe_category NMR_applied_experiment _Experiment_name 'R2(D+)_methyl 600' _Sample_label $sample_3 save_ save_R(3Dz^2-2)_methyl_500_20 _Saveframe_category NMR_applied_experiment _Experiment_name 'R(3Dz^2-2)_methyl 500' _Sample_label $sample_3 save_ save_R(3Dz^2-2)_methyl_600_21 _Saveframe_category NMR_applied_experiment _Experiment_name 'R(3Dz^2-2)_methyl 600' _Sample_label $sample_3 save_ save_R(D+Dz_+_DzD+)_methyl_500_22 _Saveframe_category NMR_applied_experiment _Experiment_name 'R(D+Dz + DzD+)_methyl 500' _Sample_label $sample_3 save_ save_R(D+Dz_+_DzD+)_methyl_600_23 _Saveframe_category NMR_applied_experiment _Experiment_name 'R(D+Dz + DzD+)_methyl 600' _Sample_label $sample_3 save_ save_3D_CCH-TOCSY_24 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 0.1 pH temperature 301 0.3 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water H 1 protons ppm 4.746 internal indirect . . . 1 water N 15 protons ppm 4.746 internal indirect . . . 0.1013 stop_ save_ save_chem_shift_reference_2 _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 water C 13 protons ppm 4.746 internal indirect . . . 0.2514 water H 1 protons ppm 4.746 internal indirect . . . 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 $software_3 stop_ loop_ _Experiment_label '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '2D 1H-13C HSQC aliphatic' '2D 1H-15N HSQC' '3D CCH-TOCSY' stop_ loop_ _Sample_label $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_2 _Mol_system_component_name gal3C _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 0.2231245 . . 2 114 2 LEU HD2 H 0.6935781 . . 3 114 2 LEU CD1 C 23.7039000 . . 4 114 2 LEU CD2 C 21.9783400 . . 5 115 3 ILE HG2 H 0.9430940 . . 6 115 3 ILE HD1 H 0.9116358 . . 7 115 3 ILE CG2 C 17.2943100 . . 8 115 3 ILE CD1 C 12.2973900 . . 9 116 4 VAL HG1 H 1.0871650 . . 10 116 4 VAL HG2 H 1.1553890 . . 11 116 4 VAL CG1 C 21.6012100 . . 12 116 4 VAL CG2 C 21.4167600 . . 13 120 8 LEU HD1 H 0.8278803 . . 14 120 8 LEU HD2 H 1.1847170 . . 15 120 8 LEU CD1 C 26.4220200 . . 16 120 8 LEU CD2 C 24.0717100 . . 17 122 10 LEU HD1 H 0.5032817 . . 18 122 10 LEU HD2 H 0.6992467 . . 19 122 10 LEU CD1 C 23.1671200 . . 20 122 10 LEU CD2 C 26.1181900 . . 21 126 14 VAL HG1 H 0.9785934 . . 22 126 14 VAL HG2 H 0.9919996 . . 23 126 14 VAL CG1 C 22.1327300 . . 24 126 14 VAL CG2 C 23.5176600 . . 25 127 15 VAL HG1 H 0.7900494 . . 26 127 15 VAL HG2 H 0.8744995 . . 27 127 15 VAL CG1 C 19.4811900 . . 28 127 15 VAL CG2 C 21.0769800 . . 29 130 18 MET HE H 1.7381330 . . 30 130 18 MET CE C 17.3452900 . . 31 131 19 LEU HD1 H 0.7838397 . . 32 131 19 LEU HD2 H 0.8139032 . . 33 131 19 LEU CD1 C 25.9064400 . . 34 131 19 LEU CD2 C 23.7463300 . . 35 132 20 ILE HG2 H 0.8864484 . . 36 132 20 ILE HD1 H 1.1592630 . . 37 132 20 ILE CG2 C 17.7179600 . . 38 132 20 ILE CD1 C 15.1721400 . . 39 133 21 THR HG2 H 1.0713500 . . 40 133 21 THR CG2 C 21.0613200 . . 41 134 22 ILE HG2 H 0.9722828 . . 42 134 22 ILE HD1 H 0.7801273 . . 43 134 22 ILE CG2 C 18.4553100 . . 44 134 22 ILE CD1 C 14.4409300 . . 45 135 23 LEU HD1 H 0.7905027 . . 46 135 23 LEU HD2 H 0.8646510 . . 47 135 23 LEU CD1 C 24.7633200 . . 48 135 23 LEU CD2 C 23.7811200 . . 49 137 25 THR HG2 H 0.9502797 . . 50 137 25 THR CG2 C 21.3046500 . . 51 138 26 VAL HG1 H 1.0228420 . . 52 138 26 VAL HG2 H 1.2626930 . . 53 138 26 VAL CG1 C 23.8351900 . . 54 138 26 VAL CG2 C 24.2449700 . . 55 142 30 ALA HB H 0.5517293 . . 56 142 30 ALA CB C 19.9557300 . . 57 145 33 ILE HG2 H 0.5293417 . . 58 145 33 ILE HD1 H -0.0821400 . . 59 145 33 ILE CG2 C 15.0720300 . . 60 145 33 ILE CD1 C 13.1866600 . . 61 146 34 ALA HB H 0.8127186 . . 62 146 34 ALA CB C 21.2352600 . . 63 147 35 LEU HD1 H 0.6250488 . . 64 147 35 LEU HD2 H 0.7029242 . . 65 147 35 LEU CD1 C 23.7139100 . . 66 147 35 LEU CD2 C 25.0050500 . . 67 155 43 VAL HG1 H 0.7114655 . . 68 155 43 VAL HG2 H 1.1172560 . . 69 155 43 VAL CG1 C 19.8064000 . . 70 155 43 VAL CG2 C 22.3695000 . . 71 156 44 ALA HB H 1.5151520 . . 72 156 44 ALA CB C 19.1281100 . . 73 170 58 VAL HG1 H 0.6994007 . . 74 170 58 VAL HG2 H 0.8414937 . . 75 170 58 VAL CG1 C 18.9765000 . . 76 170 58 VAL CG2 C 20.7896600 . . 77 171 59 ILE HG2 H 0.1123356 . . 78 171 59 ILE HD1 H 0.7908660 . . 79 171 59 ILE CG2 C 17.4449100 . . 80 171 59 ILE CD1 C 14.6258400 . . 81 172 60 VAL HG1 H 0.7069342 . . 82 172 60 VAL HG2 H 0.8000593 . . 83 172 60 VAL CG1 C 21.0179200 . . 84 172 60 VAL CG2 C 21.4654700 . . 85 175 63 THR HG2 H 1.4404170 . . 86 175 63 THR CG2 C 21.1706500 . . 87 177 65 LEU HD1 H 0.6852450 . . 88 177 65 LEU HD2 H 0.7794568 . . 89 177 65 LEU CD1 C 22.8450300 . . 90 177 65 LEU CD2 C 24.6736300 . . 91 189 77 VAL HG1 H 0.7941428 . . 92 189 77 VAL HG2 H 0.9896327 . . 93 189 77 VAL CG1 C 20.8325300 . . 94 189 77 VAL CG2 C 21.1116600 . . 95 200 88 ILE HG2 H 0.6098434 . . 96 200 88 ILE HD1 H 0.6886846 . . 97 200 88 ILE CG2 C 17.0546900 . . 98 200 88 ILE CD1 C 13.8928900 . . 99 202 90 VAL HG1 H 0.8013581 . . 100 202 90 VAL HG2 H 1.0368590 . . 101 202 90 VAL CG1 C 19.5959000 . . 102 202 90 VAL CG2 C 21.6498700 . . 103 203 91 LEU HD1 H 0.8393434 . . 104 203 91 LEU HD2 H 0.8526150 . . 105 203 91 LEU CD1 C 22.9041000 . . 106 203 91 LEU CD2 C 25.9644400 . . 107 204 92 VAL HG1 H 0.3803483 . . 108 204 92 VAL HG2 H 1.0138100 . . 109 204 92 VAL CG1 C 20.9605400 . . 110 204 92 VAL CG2 C 20.0725600 . . 111 211 99 VAL HG1 H 0.4151455 . . 112 211 99 VAL HG2 H 0.7682055 . . 113 211 99 VAL CG1 C 20.7479000 . . 114 211 99 VAL CG2 C 21.0269300 . . 115 212 100 ALA HB H 1.2572970 . . 116 212 100 ALA CB C 21.8322500 . . 117 213 101 VAL HG1 H 0.2789258 . . 118 213 101 VAL HG2 H 0.6985097 . . 119 213 101 VAL CG1 C 20.1704400 . . 120 213 101 VAL CG2 C 22.9646700 . . 121 216 104 ALA HB H 1.3373140 . . 122 216 104 ALA CB C 20.6667600 . . 123 218 106 LEU HD1 H 0.8108156 . . 124 218 106 LEU HD2 H 0.8299190 . . 125 218 106 LEU CD1 C 21.9165200 . . 126 218 106 LEU CD2 C 26.1460600 . . 127 219 107 LEU HD1 H 0.9282412 . . 128 219 107 LEU HD2 H 0.9588753 . . 129 219 107 LEU CD1 C 24.3386000 . . 130 219 107 LEU CD2 C 8.2117010 . . 131 225 113 VAL HG1 H 0.8073124 . . 132 225 113 VAL HG2 H 0.9884689 . . 133 225 113 VAL CG1 C 20.4480700 . . 134 225 113 VAL CG2 C 21.4882600 . . 135 228 116 LEU HD1 H -0.2940715 . . 136 228 116 LEU HD2 H 0.2843607 . . 137 228 116 LEU CD1 C 19.6002900 . . 138 228 116 LEU CD2 C 23.8750700 . . 139 231 119 ILE HG2 H 1.0749460 . . 140 231 119 ILE HD1 H 0.8909222 . . 141 231 119 ILE CG2 C 18.8326600 . . 142 231 119 ILE CD1 C 14.6811000 . . 143 234 122 LEU HD1 H -0.3874504 . . 144 234 122 LEU HD2 H 0.5374208 . . 145 234 122 LEU CD1 C 21.6181200 . . 146 234 122 LEU CD2 C 26.3126400 . . 147 236 124 ILE HG2 H 0.8764908 . . 148 236 124 ILE HD1 H 0.8765507 . . 149 236 124 ILE CG2 C 18.2538900 . . 150 236 124 ILE CD1 C 15.5686700 . . 151 240 128 ILE HG2 H 0.7840077 . . 152 240 128 ILE HD1 H 0.6629615 . . 153 240 128 ILE CG2 C 19.2898900 . . 154 240 128 ILE CD1 C 13.8130100 . . 155 242 130 LEU HD1 H 0.4858569 . . 156 242 130 LEU HD2 H 0.8440461 . . 157 242 130 LEU CD1 C 27.0922400 . . 158 242 130 LEU CD2 C 26.4316700 . . 159 243 131 THR HG2 H 1.0727900 . . 160 243 131 THR CG2 C 21.7612700 . . 161 245 133 ALA HB H 1.1967620 . . 162 245 133 ALA CB C 21.3002700 . . 163 248 136 THR HG2 H 1.1279000 . . 164 248 136 THR CG2 C 19.1225400 . . 165 249 137 MET HE H 2.0472620 . . 166 249 137 MET CE C 15.9324800 . . 167 250 138 ILE HG2 H 0.8715772 . . 168 250 138 ILE HD1 H 0.8373467 . . 169 250 138 ILE CG2 C 19.1350700 . . 170 250 138 ILE CD1 C 14.5048000 . . stop_ save_ save_assigned_chemical_shifts_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_1 $software_3 stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name gal3C _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 H H 8.278654 . . 2 114 2 LEU N N 123.7722 . . 3 115 3 ILE H H 8.218474 . . 4 115 3 ILE N N 123.0042 . . 5 116 4 VAL H H 7.869304 . . 6 116 4 VAL N N 122.3657 . . 7 118 6 TYR H H 9.111213 . . 8 118 6 TYR N N 125.9212 . . 9 119 7 ASN H H 7.715049 . . 10 119 7 ASN N N 126.0822 . . 11 120 8 LEU H H 9.334633 . . 12 120 8 LEU N N 128.0536 . . 13 122 10 LEU H H 7.779228 . . 14 122 10 LEU N N 122.3648 . . 15 124 12 GLY H H 8.780710 . . 16 124 12 GLY N N 112.7570 . . 17 125 13 GLY H H 8.202392 . . 18 125 13 GLY N N 108.8809 . . 19 126 14 VAL H H 7.101917 . . 20 126 14 VAL N N 113.5650 . . 21 127 15 VAL H H 6.478028 . . 22 127 15 VAL N N 116.8230 . . 23 129 17 ARG H H 8.680144 . . 24 129 17 ARG N N 112.5478 . . 25 130 18 MET H H 7.817552 . . 26 130 18 MET N N 119.2149 . . 27 131 19 LEU H H 9.136359 . . 28 131 19 LEU N N 128.4980 . . 29 132 20 ILE H H 9.864741 . . 30 132 20 ILE N N 132.3232 . . 31 133 21 THR H H 9.064687 . . 32 133 21 THR N N 123.6483 . . 33 134 22 ILE H H 9.610842 . . 34 134 22 ILE N N 130.0325 . . 35 135 23 LEU H H 8.754560 . . 36 135 23 LEU N N 126.9588 . . 37 136 24 GLY H H 6.905605 . . 38 136 24 GLY N N 108.4422 . . 39 137 25 THR H H 8.892241 . . 40 137 25 THR N N 115.8498 . . 41 138 26 VAL H H 8.327285 . . 42 138 26 VAL N N 128.1606 . . 43 139 27 LYS H H 8.140523 . . 44 139 27 LYS N N 128.5464 . . 45 141 29 ASN H H 8.372257 . . 46 141 29 ASN N N 115.7061 . . 47 142 30 ALA H H 6.837688 . . 48 142 30 ALA N N 119.4129 . . 49 143 31 ASN H H 9.558527 . . 50 143 31 ASN N N 116.7304 . . 51 144 32 ARG H H 8.652484 . . 52 144 32 ARG N N 116.2491 . . 53 145 33 ILE H H 8.134447 . . 54 145 33 ILE N N 119.3641 . . 55 146 34 ALA H H 8.803440 . . 56 146 34 ALA N N 127.3790 . . 57 147 35 LEU H H 8.278092 . . 58 147 35 LEU N N 121.2508 . . 59 148 36 ASP H H 8.950480 . . 60 148 36 ASP N N 120.6631 . . 61 149 37 PHE H H 9.275081 . . 62 149 37 PHE N N 125.3407 . . 63 150 38 GLN H H 9.088898 . . 64 150 38 GLN N N 127.2774 . . 65 151 39 ARG H H 8.084488 . . 66 151 39 ARG N N 125.4364 . . 67 154 42 ASP H H 8.406291 . . 68 154 42 ASP N N 119.9135 . . 69 155 43 VAL H H 9.193382 . . 70 155 43 VAL N N 120.9234 . . 71 156 44 ALA H H 8.875598 . . 72 156 44 ALA N N 127.9375 . . 73 157 45 PHE H H 7.573636 . . 74 157 45 PHE N N 118.7842 . . 75 158 46 HIS H H 9.267780 . . 76 158 46 HIS N N 133.3810 . . 77 159 47 PHE H H 8.368846 . . 78 159 47 PHE N N 127.1236 . . 79 160 48 ASN H H 8.374623 . . 80 160 48 ASN N N 122.8168 . . 81 162 50 ARG H H 9.275398 . . 82 162 50 ARG N N 126.0540 . . 83 163 51 PHE H H 8.189478 . . 84 163 51 PHE N N 118.6316 . . 85 164 52 ASN H H 8.687674 . . 86 164 52 ASN N N 117.5791 . . 87 165 53 GLU H H 8.927950 . . 88 165 53 GLU N N 125.5617 . . 89 167 55 ASN H H 8.000641 . . 90 167 55 ASN N N 108.0458 . . 91 168 56 ARG H H 7.357717 . . 92 168 56 ARG N N 117.2597 . . 93 169 57 ARG H H 7.857959 . . 94 169 57 ARG N N 118.8638 . . 95 170 58 VAL H H 8.545282 . . 96 170 58 VAL N N 121.7941 . . 97 171 59 ILE H H 8.740715 . . 98 171 59 ILE N N 124.8037 . . 99 172 60 VAL H H 7.316244 . . 100 172 60 VAL N N 127.8661 . . 101 173 61 CYS H H 8.883210 . . 102 173 61 CYS N N 123.9038 . . 103 174 62 ASN H H 8.958046 . . 104 174 62 ASN N N 119.2581 . . 105 175 63 THR H H 9.997203 . . 106 175 63 THR N N 118.6170 . . 107 176 64 LYS H H 9.069432 . . 108 176 64 LYS N N 130.6854 . . 109 177 65 LEU H H 7.881344 . . 110 177 65 LEU N N 126.1381 . . 111 178 66 ASP H H 8.944370 . . 112 178 66 ASP N N 125.9137 . . 113 179 67 ASN H H 9.157188 . . 114 179 67 ASN N N 108.4581 . . 115 180 68 ASN H H 7.759317 . . 116 180 68 ASN N N 117.7470 . . 117 181 69 TRP H H 8.938152 . . 118 181 69 TRP N N 126.8572 . . 119 182 70 GLY H H 8.192896 . . 120 182 70 GLY N N 110.3783 . . 121 183 71 ARG H H 8.672206 . . 122 183 71 ARG N N 124.8467 . . 123 184 72 GLU H H 8.844540 . . 124 184 72 GLU N N 125.2019 . . 125 185 73 GLU H H 9.106633 . . 126 185 73 GLU N N 122.1316 . . 127 186 74 ARG H H 8.898241 . . 128 186 74 ARG N N 124.8027 . . 129 187 75 GLN H H 8.776537 . . 130 187 75 GLN N N 121.6959 . . 131 189 77 VAL H H 7.840614 . . 132 189 77 VAL N N 125.5583 . . 133 190 78 PHE H H 8.316448 . . 134 190 78 PHE N N 125.5466 . . 135 192 80 PHE H H 5.759206 . . 136 192 80 PHE N N 113.8160 . . 137 193 81 GLU H H 9.191556 . . 138 193 81 GLU N N 119.9006 . . 139 194 82 SER H H 9.027076 . . 140 194 82 SER N N 120.5266 . . 141 195 83 GLY H H 7.048655 . . 142 195 83 GLY N N 112.5729 . . 143 196 84 LYS H H 7.731459 . . 144 196 84 LYS N N 118.0984 . . 145 198 86 PHE H H 8.696844 . . 146 198 86 PHE N N 116.2910 . . 147 199 87 LYS H H 8.076766 . . 148 199 87 LYS N N 121.6205 . . 149 200 88 ILE H H 9.767255 . . 150 200 88 ILE N N 127.3449 . . 151 201 89 GLN H H 9.263934 . . 152 201 89 GLN N N 125.1562 . . 153 202 90 VAL H H 9.528576 . . 154 202 90 VAL N N 124.0380 . . 155 203 91 LEU H H 9.406748 . . 156 203 91 LEU N N 130.4967 . . 157 204 92 VAL H H 8.966794 . . 158 204 92 VAL N N 127.4180 . . 159 205 93 GLU H H 8.297192 . . 160 205 93 GLU N N 128.2208 . . 161 207 95 ASP H H 7.946173 . . 162 207 95 ASP N N 107.1136 . . 163 208 96 HIS H H 6.439445 . . 164 208 96 HIS N N 116.1475 . . 165 209 97 PHE H H 8.491124 . . 166 209 97 PHE N N 114.6112 . . 167 210 98 LYS H H 9.659566 . . 168 210 98 LYS N N 123.5823 . . 169 211 99 VAL H H 9.062325 . . 170 211 99 VAL N N 123.4692 . . 171 212 100 ALA H H 9.230667 . . 172 212 100 ALA N N 130.4351 . . 173 213 101 VAL H H 8.438092 . . 174 213 101 VAL N N 121.0371 . . 175 214 102 ASN H H 9.849651 . . 176 214 102 ASN N N 127.4197 . . 177 215 103 ASP H H 8.927258 . . 178 215 103 ASP N N 107.7675 . . 179 216 104 ALA H H 7.628856 . . 180 216 104 ALA N N 121.6451 . . 181 218 106 LEU H H 8.865728 . . 182 218 106 LEU N N 127.9652 . . 183 219 107 LEU H H 7.520379 . . 184 219 107 LEU N N 110.0820 . . 185 220 108 GLN H H 8.724302 . . 186 220 108 GLN N N 119.0682 . . 187 221 109 TYR H H 8.891707 . . 188 221 109 TYR N N 125.5780 . . 189 222 110 ASN H H 9.278383 . . 190 222 110 ASN N N 129.7948 . . 191 223 111 HIS H H 7.113727 . . 192 223 111 HIS N N 117.2100 . . 193 224 112 ARG H H 9.434951 . . 194 224 112 ARG N N 125.3584 . . 195 225 113 VAL H H 8.312952 . . 196 225 113 VAL N N 120.5239 . . 197 227 115 LYS H H 7.048115 . . 198 227 115 LYS N N 120.6500 . . 199 228 116 LEU H H 7.596653 . . 200 228 116 LEU N N 122.8834 . . 201 229 117 ASN H H 8.344985 . . 202 229 117 ASN N N 112.8493 . . 203 230 118 GLU H H 7.356451 . . 204 230 118 GLU N N 116.3870 . . 205 231 119 ILE H H 7.652458 . . 206 231 119 ILE N N 122.1800 . . 207 232 120 SER H H 7.653547 . . 208 232 120 SER N N 116.1573 . . 209 233 121 LYS H H 7.821197 . . 210 233 121 LYS N N 120.8652 . . 211 234 122 LEU H H 8.551607 . . 212 234 122 LEU N N 124.5001 . . 213 235 123 GLY H H 9.279103 . . 214 235 123 GLY N N 114.4232 . . 215 236 124 ILE H H 9.194486 . . 216 236 124 ILE N N 126.7284 . . 217 237 125 SER H H 9.185355 . . 218 237 125 SER N N 119.8992 . . 219 238 126 GLY H H 9.037090 . . 220 238 126 GLY N N 106.4415 . . 221 239 127 ASP H H 8.549674 . . 222 239 127 ASP N N 121.9530 . . 223 240 128 ILE H H 7.933033 . . 224 240 128 ILE N N 112.3671 . . 225 241 129 ASP H H 8.857289 . . 226 241 129 ASP N N 121.1024 . . 227 242 130 LEU H H 9.246537 . . 228 242 130 LEU N N 126.3464 . . 229 243 131 THR H H 8.983822 . . 230 243 131 THR N N 121.4161 . . 231 244 132 SER H H 7.734739 . . 232 244 132 SER N N 111.9759 . . 233 245 133 ALA H H 8.267023 . . 234 245 133 ALA N N 125.8590 . . 235 246 134 SER H H 8.532378 . . 236 246 134 SER N N 115.2161 . . 237 247 135 TYR H H 8.324766 . . 238 247 135 TYR N N 115.1980 . . 239 248 136 THR H H 8.843580 . . 240 248 136 THR N N 115.1348 . . 241 249 137 MET H H 8.080506 . . 242 249 137 MET N N 120.7755 . . 243 250 138 ILE H H 8.569327 . . 244 250 138 ILE N N 125.1859 . . stop_ save_ save_heteronucl_T1_relaxation_1 _Saveframe_category T1_relaxation _Details . loop_ _Software_label $software_3 $software_4 $software_5 stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 499.8598763 _T1_coherence_type Iz _T1_value_units s-1 _Mol_system_component_name gal3C _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 LEU N 1.541598 0.122598 2 3 ILE N 1.652453 0.004590 3 4 VAL N 1.763282 0.009495 4 6 TYR N 2.072552 0.009417 5 7 ASN N 1.884878 0.026226 6 8 LEU N 1.982419 0.013712 7 10 LEU N 1.934890 0.010720 8 12 GLY N 1.816161 0.172943 9 13 GLY N 1.986693 0.014870 10 14 VAL N 1.809930 0.010336 11 15 VAL N 1.930515 0.014998 12 17 ARG N 1.953895 0.011707 13 18 MET N 1.998413 0.010339 14 19 LEU N 2.045803 0.015756 15 20 ILE N 2.013185 0.013129 16 21 THR N 1.977296 0.006342 17 22 ILE N 2.035497 0.014733 18 23 LEU N 2.022288 0.008517 19 24 GLY N 2.052468 0.006121 20 25 THR N 2.005916 0.012715 21 26 VAL N 1.975517 0.020198 22 27 LYS N 2.030151 0.007481 23 29 ASN N 2.006944 0.062150 24 30 ALA N 1.790390 0.008990 25 31 ASN N 1.911811 0.016172 26 32 ARG N 2.079444 0.022896 27 33 ILE N 1.993669 0.016667 28 34 ALA N 2.027402 0.006987 29 35 LEU N 1.976195 0.018474 30 36 ASP N 1.933482 0.014437 31 37 PHE N 1.958912 0.012994 32 38 GLN N 1.991189 0.012774 33 39 ARG N 1.946714 0.023901 34 42 ASP N 1.893453 0.007407 35 43 VAL N 1.948414 0.011303 36 44 ALA N 1.910152 0.033387 37 45 PHE N 2.083558 0.013661 38 46 HIS N 2.079850 0.006594 39 47 PHE N 2.035335 0.006885 40 48 ASN N 2.000180 0.010644 41 50 ARG N 2.052254 0.015249 42 51 PHE N 2.036414 0.011414 43 52 ASN N 1.959581 0.028842 44 53 GLU N 1.852361 0.017793 45 55 ASN N 1.949777 0.027659 46 56 ARG N 1.865552 0.009022 47 57 ARG N 1.869281 0.007754 48 58 VAL N 2.036859 0.016423 49 59 ILE N 2.030095 0.012093 50 60 VAL N 2.018834 0.011514 51 61 CYS N 1.994955 0.010630 52 62 ASN N 2.002593 0.008389 53 63 THR N 1.875308 0.017891 54 64 LYS N 2.008857 0.014383 55 65 LEU N 1.920115 0.012426 56 66 ASP N 1.947712 0.012229 57 67 ASN N 1.950649 0.010911 58 68 ASN N 1.818455 0.009801 59 69 TRP N 1.910992 0.043252 60 70 GLY N 1.925897 0.009076 61 71 ARG N 1.983933 0.047389 62 72 GLU N 1.920005 0.005146 63 73 GLU N 1.943791 0.010289 64 74 ARG N 1.936995 0.035729 65 75 GLN N 1.936327 0.015177 66 77 VAL N 1.810618 0.009308 67 78 PHE N 1.946977 0.037579 68 80 PHE N 1.518492 0.010185 69 81 GLU N 2.117690 0.049104 70 82 SER N 1.838129 0.068791 71 83 GLY N 1.943224 0.012792 72 84 LYS N 1.934532 0.003933 73 86 PHE N 1.945821 0.016770 74 87 LYS N 1.996779 0.010671 75 88 ILE N 2.006094 0.007321 76 89 GLN N 2.021622 0.017019 77 90 VAL N 1.919210 0.012750 78 91 LEU N 2.030846 0.018345 79 92 VAL N 2.037916 0.013401 80 93 GLU N 2.127518 0.030496 81 95 ASP N 1.972253 0.045043 82 96 HIS N 2.002341 0.021452 83 97 PHE N 1.980353 0.014166 84 98 LYS N 1.956814 0.009900 85 99 VAL N 1.982115 0.008197 86 100 ALA N 2.041898 0.011067 87 101 VAL N 1.997819 0.009278 88 102 ASN N 2.057097 0.012436 89 103 ASP N 2.018106 0.012188 90 104 ALA N 1.882823 0.007412 91 106 LEU N 2.107983 0.020645 92 107 LEU N 2.023740 0.017330 93 108 GLN N 1.991799 0.011268 94 109 TYR N 2.101605 0.047604 95 110 ASN N 1.965518 0.012010 96 111 HIS N 1.968083 0.022935 97 112 ARG N 1.937769 0.025289 98 113 VAL N 1.668801 0.016547 99 115 LYS N 1.743073 0.067802 100 116 LEU N 1.962106 0.015237 101 117 ASN N 2.048910 0.012705 102 118 GLU N 2.037354 0.009752 103 119 ILE N 1.984116 0.007125 104 120 SER N 1.794615 0.008043 105 121 LYS N 2.103023 0.013850 106 122 LEU N 1.984612 0.009119 107 123 GLY N 2.023834 0.007617 108 124 ILE N 1.986658 0.017725 109 125 SER N 1.819247 0.031809 110 126 GLY N 2.031972 0.012508 111 127 ASP N 1.936698 0.008730 112 128 ILE N 2.029384 0.006307 113 129 ASP N 2.043657 0.014087 114 130 LEU N 1.937423 0.015327 115 131 THR N 2.056858 0.008992 116 132 SER N 1.970929 0.007700 117 133 ALA N 1.995583 0.013572 118 134 SER N 1.952279 0.010562 119 135 TYR N 1.959300 0.008992 120 136 THR N 1.991938 0.011465 121 137 MET N 1.775356 0.019767 122 138 ILE N 1.915317 0.009736 stop_ save_ save_heteronucl_T1_relaxation_2 _Saveframe_category T1_relaxation _Details . loop_ _Software_label $software_3 $software_4 $software_5 stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 599.8821277 _T1_coherence_type Iz _T1_value_units s-1 _Mol_system_component_name gal3C _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 LEU N 1.711081 0.044849 2 3 ILE N 1.367133 0.006692 3 4 VAL N 1.471249 0.004802 4 6 TYR N 1.702242 0.011261 5 7 ASN N 1.640932 0.034656 6 8 LEU N 1.628500 0.011609 7 10 LEU N 1.579879 0.010650 8 12 GLY N 1.889505 0.153200 9 13 GLY N 1.687389 0.010961 10 14 VAL N 1.509394 0.008024 11 15 VAL N 1.571970 0.007286 12 17 ARG N 1.614562 0.010408 13 18 MET N 1.668913 0.012897 14 19 LEU N 1.719765 0.018062 15 20 ILE N 1.672849 0.011444 16 21 THR N 1.621991 0.007649 17 22 ILE N 1.680902 0.012485 18 23 LEU N 1.665589 0.011346 19 24 GLY N 1.682245 0.008324 20 25 THR N 1.650653 0.008830 21 26 VAL N 1.714851 0.019221 22 27 LYS N 1.679950 0.009080 23 29 ASN N 1.872102 0.099162 24 30 ALA N 1.537019 0.007715 25 31 ASN N 1.597372 0.014372 26 32 ARG N 1.669667 0.010322 27 33 ILE N 1.634526 0.010837 28 34 ALA N 1.669833 0.010812 29 35 LEU N 1.634480 0.011850 30 36 ASP N 1.563549 0.011992 31 37 PHE N 1.660054 0.015904 32 38 GLN N 1.626253 0.011839 33 39 ARG N 1.595124 0.008770 34 42 ASP N 1.628491 0.008129 35 43 VAL N 1.606833 0.019552 36 44 ALA N 1.657612 0.013228 37 45 PHE N 1.718915 0.008074 38 46 HIS N 1.736976 0.012663 39 47 PHE N 1.691814 0.012132 40 48 ASN N 1.672565 0.019416 41 50 ARG N 1.714734 0.013549 42 51 PHE N 1.678924 0.012068 43 52 ASN N 1.698452 0.027885 44 53 GLU N 1.611645 0.008604 45 55 ASN N 1.715219 0.021020 46 56 ARG N 1.577575 0.006552 47 57 ARG N 1.558575 0.008584 48 58 VAL N 1.664576 0.011046 49 59 ILE N 1.692178 0.011429 50 60 VAL N 1.680247 0.011282 51 61 CYS N 1.693995 0.018006 52 62 ASN N 1.675767 0.014022 53 63 THR N 1.597747 0.009334 54 64 LYS N 1.679551 0.009389 55 65 LEU N 1.588061 0.009054 56 66 ASP N 1.653430 0.018154 57 67 ASN N 1.633075 0.007473 58 68 ASN N 1.525329 0.009372 59 69 TRP N 1.683616 0.032635 60 70 GLY N 1.635784 0.012756 61 71 ARG N 1.708159 0.042484 62 72 GLU N 1.635160 0.010618 63 73 GLU N 1.659332 0.015862 64 74 ARG N 1.649670 0.057064 65 75 GLN N 1.628144 0.006967 66 77 VAL N 1.565109 0.009220 67 78 PHE N 1.697095 0.036324 68 80 PHE N 1.303792 0.007842 69 81 GLU N 1.652489 0.023718 70 82 SER N 1.656729 0.049482 71 83 GLY N 1.620023 0.009955 72 84 LYS N 1.699678 0.007226 73 86 PHE N 1.689744 0.014380 74 87 LYS N 1.644473 0.008771 75 88 ILE N 1.627498 0.007090 76 89 GLN N 1.608114 0.010082 77 90 VAL N 1.583688 0.010446 78 91 LEU N 1.651386 0.010809 79 92 VAL N 1.702440 0.013256 80 93 GLU N 1.653886 0.012699 81 95 ASP N 1.796494 0.037332 82 96 HIS N 1.718251 0.008164 83 97 PHE N 1.646562 0.012864 84 98 LYS N 1.621291 0.014703 85 99 VAL N 1.647295 0.009981 86 100 ALA N 1.689512 0.005851 87 101 VAL N 1.640408 0.010887 88 102 ASN N 1.746299 0.014424 89 103 ASP N 1.706620 0.009380 90 104 ALA N 1.582846 0.007100 91 106 LEU N 1.674267 0.012111 92 107 LEU N 1.667053 0.009995 93 108 GLN N 1.668407 0.014801 94 109 TYR N 1.574207 0.012553 95 110 ASN N 1.679384 0.008774 96 111 HIS N 1.626274 0.008391 97 112 ARG N 1.624672 0.018112 98 113 VAL N 1.449290 0.012026 99 115 LYS N 1.561026 0.055301 100 116 LEU N 1.631252 0.012985 101 117 ASN N 1.743954 0.012297 102 118 GLU N 1.738262 0.013281 103 119 ILE N 1.671008 0.009593 104 120 SER N 1.501430 0.008701 105 121 LYS N 1.767160 0.009203 106 122 LEU N 1.634464 0.011870 107 123 GLY N 1.655277 0.010555 108 124 ILE N 1.643984 0.013493 109 125 SER N 1.560092 0.015342 110 126 GLY N 1.705577 0.014096 111 127 ASP N 1.608737 0.014429 112 128 ILE N 1.659457 0.008882 113 129 ASP N 1.679070 0.011078 114 130 LEU N 1.597945 0.015218 115 131 THR N 1.710375 0.013085 116 132 SER N 1.637727 0.006593 117 133 ALA N 1.671368 0.006024 118 134 SER N 1.639683 0.010997 119 135 TYR N 1.684476 0.006661 120 136 THR N 1.656660 0.008233 121 137 MET N 1.548381 0.021424 122 138 ILE N 1.595130 0.006958 stop_ save_ save_heteronucl_T1_relaxation_3 _Saveframe_category T1_relaxation _Details . loop_ _Software_label $software_3 $software_4 $software_5 stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 800.066 _T1_coherence_type Iz _T1_value_units s-1 _Mol_system_component_name gal3C _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 2 LEU N 1.089660 0.052062 2 3 ILE N 0.998617 0.011214 3 4 VAL N 1.078827 0.007749 4 6 TYR N 1.198161 0.007704 5 7 ASN N 1.160218 0.042852 6 8 LEU N 1.121462 0.011052 7 10 LEU N 1.073137 0.010086 8 12 GLY N 1.066633 0.027764 9 13 GLY N 1.170591 0.005225 10 14 VAL N 1.080798 0.008097 11 15 VAL N 1.102758 0.006943 12 17 ARG N 1.117985 0.009335 13 18 MET N 1.180489 0.007554 14 19 LEU N 1.183932 0.013168 15 20 ILE N 1.161264 0.009075 16 21 THR N 1.115006 0.009416 17 22 ILE N 1.157988 0.007464 18 23 LEU N 1.151672 0.005060 19 24 GLY N 1.169704 0.006130 20 25 THR N 1.143342 0.011137 21 26 VAL N 1.216325 0.010969 22 27 LYS N 1.187341 0.005974 23 29 ASN N 1.104535 0.043425 24 30 ALA N 1.113333 0.008334 25 31 ASN N 1.090096 0.013351 26 32 ARG N 1.175910 0.012483 27 33 ILE N 1.108806 0.010940 28 34 ALA N 1.166841 0.005470 29 35 LEU N 1.109400 0.006712 30 36 ASP N 1.071382 0.006889 31 37 PHE N 1.112276 0.014145 32 38 GLN N 1.124442 0.007960 33 39 ARG N 1.085104 0.012741 34 42 ASP N 1.136662 0.010721 35 43 VAL N 1.094800 0.010595 36 44 ALA N 1.199707 0.012295 37 45 PHE N 1.204730 0.010761 38 46 HIS N 1.194351 0.009787 39 47 PHE N 1.153997 0.005093 40 48 ASN N 1.118384 0.017450 41 50 ARG N 1.172343 0.015680 42 51 PHE N 1.157956 0.016189 43 52 ASN N 1.202630 0.032612 44 53 GLU N 1.166720 0.017335 45 55 ASN N 1.210002 0.020280 46 56 ARG N 1.118601 0.006603 47 57 ARG N 1.086988 0.009085 48 58 VAL N 1.161035 0.010116 49 59 ILE N 1.180969 0.007514 50 60 VAL N 1.145715 0.005879 51 61 CYS N 1.149292 0.013679 52 62 ASN N 1.146020 0.010160 53 63 THR N 1.051481 0.013022 54 64 LYS N 1.148214 0.009312 55 65 LEU N 1.083856 0.010022 56 66 ASP N 1.146328 0.004598 57 67 ASN N 1.150455 0.014382 58 68 ASN N 1.059578 0.010283 59 69 TRP N 1.172798 0.027848 60 70 GLY N 1.101322 0.008988 61 71 ARG N 1.192464 0.031629 62 72 GLU N 1.160863 0.006737 63 73 GLU N 1.122809 0.010484 64 74 ARG N 1.147765 0.040081 65 75 GLN N 1.131340 0.005129 66 77 VAL N 1.139768 0.006069 67 78 PHE N 1.196063 0.049408 68 80 PHE N 0.922750 0.012847 69 81 GLU N 1.130474 0.008662 70 82 SER N 1.120649 0.037031 71 83 GLY N 1.119944 0.009130 72 84 LYS N 1.145756 0.007312 73 86 PHE N 1.185194 0.008802 74 87 LYS N 1.143707 0.006699 75 88 ILE N 1.134744 0.008061 76 89 GLN N 1.120390 0.009254 77 90 VAL N 1.083647 0.006681 78 91 LEU N 1.162300 0.006740 79 92 VAL N 1.169480 0.007786 80 93 GLU N 1.127869 0.006100 81 95 ASP N 1.244880 0.038895 82 96 HIS N 1.200158 0.007390 83 97 PHE N 1.121258 0.017272 84 98 LYS N 1.101422 0.009493 85 99 VAL N 1.134318 0.017101 86 100 ALA N 1.182237 0.005640 87 101 VAL N 1.127099 0.005713 88 102 ASN N 1.216165 0.004652 89 103 ASP N 1.208634 0.008672 90 104 ALA N 1.134595 0.007118 91 106 LEU N 1.169549 0.006017 92 107 LEU N 1.167972 0.013085 93 108 GLN N 1.173601 0.007722 94 109 TYR N 1.099586 0.008699 95 110 ASN N 1.130221 0.011649 96 111 HIS N 1.121119 0.012788 97 112 ARG N 1.106790 0.016816 98 113 VAL N 0.974380 0.009913 99 115 LYS N 1.036504 0.020502 100 116 LEU N 1.159113 0.011745 101 117 ASN N 1.262375 0.015619 102 118 GLU N 1.209442 0.008829 103 119 ILE N 1.145850 0.012009 104 120 SER N 1.052722 0.007933 105 121 LYS N 1.251744 0.009975 106 122 LEU N 1.132695 0.015041 107 123 GLY N 1.155879 0.006014 108 124 ILE N 1.125703 0.007724 109 125 SER N 1.128891 0.008341 110 126 GLY N 1.208853 0.009689 111 127 ASP N 1.114401 0.009465 112 128 ILE N 1.157538 0.006157 113 129 ASP N 1.159924 0.007685 114 130 LEU N 1.120934 0.005682 115 131 THR N 1.210554 0.007939 116 132 SER N 1.160090 0.004372 117 133 ALA N 1.183846 0.009591 118 134 SER N 1.126060 0.009563 119 135 TYR N 1.185940 0.007848 120 136 THR N 1.146858 0.009390 121 137 MET N 1.114654 0.026391 122 138 ILE N 1.142400 0.015125 stop_ save_ save_heteronucl_T2_relaxation_1 _Saveframe_category T2_relaxation _Details . loop_ _Software_label $software_3 $software_4 $software_5 stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 499.8598763 _T2_coherence_type I(+,-) _T2_value_units s-1 _Mol_system_component_name gal3C _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 N 8.782689 0.335010 . . 2 3 ILE N 7.415957 0.031838 . . 3 4 VAL N 7.818099 0.060633 . . 4 6 TYR N 8.951613 0.055602 . . 5 7 ASN N 9.223933 0.164268 . . 6 8 LEU N 8.783592 0.090420 . . 7 10 LEU N 8.685255 0.041355 . . 8 12 GLY N 12.76605 1.151657 . . 9 13 GLY N 9.168907 0.056626 . . 10 14 VAL N 8.403536 0.085710 . . 11 15 VAL N 9.558600 0.068944 . . 12 17 ARG N 9.172443 0.058017 . . 13 18 MET N 9.066777 0.111844 . . 14 19 LEU N 9.432692 0.091599 . . 15 20 ILE N 9.111171 0.050001 . . 16 21 THR N 11.02057 0.212898 . . 17 22 ILE N 8.840074 0.050236 . . 18 23 LEU N 8.949856 0.094394 . . 19 24 GLY N 8.653050 0.136421 . . 20 25 THR N 8.747298 0.053090 . . 21 26 VAL N 9.238995 0.091454 . . 22 27 LYS N 9.649208 0.109495 . . 23 29 ASN N 11.27303 0.738161 . . 24 30 ALA N 8.107955 0.076432 . . 25 31 ASN N 8.756760 0.074834 . . 26 32 ARG N 9.274229 0.122223 . . 27 33 ILE N 8.932434 0.082295 . . 28 34 ALA N 8.997194 0.092453 . . 29 35 LEU N 9.023957 0.065507 . . 30 36 ASP N 8.573456 0.088990 . . 31 37 PHE N 9.206727 0.080944 . . 32 38 GLN N 8.894544 0.021234 . . 33 39 ARG N 9.467483 0.084135 . . 34 42 ASP N 9.592955 0.046054 . . 35 43 VAL N 9.104103 0.118715 . . 36 44 ALA N 9.210041 0.132860 . . 37 45 PHE N 9.393622 0.079271 . . 38 46 HIS N 9.433723 0.067687 . . 39 47 PHE N 8.990098 0.027343 . . 40 48 ASN N 9.315892 0.056241 . . 41 50 ARG N 9.141713 0.088716 . . 42 51 PHE N 9.086390 0.141323 . . 43 52 ASN N 9.723007 0.087828 . . 44 53 GLU N 9.017852 0.051588 . . 45 55 ASN N 8.967684 0.082079 . . 46 56 ARG N 8.438433 0.097440 . . 47 57 ARG N 8.116940 0.153550 . . 48 58 VAL N 8.810312 0.119897 . . 49 59 ILE N 8.885055 0.081994 . . 50 60 VAL N 9.178003 0.135323 . . 51 61 CYS N 9.249939 0.059220 . . 52 62 ASN N 9.273372 0.107636 . . 53 63 THR N 9.261694 0.085586 . . 54 64 LYS N 9.460836 0.070361 . . 55 65 LEU N 9.204495 0.098112 . . 56 66 ASP N 9.152259 0.031750 . . 57 67 ASN N 9.575600 0.058397 . . 58 68 ASN N 8.910253 0.077215 . . 59 69 TRP N 9.948787 0.193546 . . 60 70 GLY N 9.220722 0.065634 . . 61 71 ARG N 10.29285 0.146323 . . 62 72 GLU N 9.262605 0.093189 . . 63 73 GLU N 9.054864 0.078621 . . 64 74 ARG N 9.683079 0.246578 . . 65 75 GLN N 9.071908 0.058227 . . 66 77 VAL N 10.81912 0.060321 . . 67 78 PHE N 10.21497 0.105959 . . 68 80 PHE N 7.023386 0.036469 . . 69 81 GLU N 8.911668 0.058291 . . 70 82 SER N 9.831453 0.212924 . . 71 83 GLY N 8.930769 0.041114 . . 72 84 LYS N 8.880367 0.053263 . . 73 86 PHE N 8.949757 0.088607 . . 74 87 LYS N 9.083072 0.026189 . . 75 88 ILE N 8.759076 0.042980 . . 76 89 GLN N 9.037848 0.091898 . . 77 90 VAL N 9.333268 0.046786 . . 78 91 LEU N 9.285857 0.077110 . . 79 92 VAL N 9.771928 0.096919 . . 80 93 GLU N 10.16461 0.186702 . . 81 95 ASP N 12.62859 0.290585 . . 82 96 HIS N 11.21632 0.110804 . . 83 97 PHE N 9.370873 0.120995 . . 84 98 LYS N 13.40939 0.053049 . . 85 99 VAL N 11.73217 0.294346 . . 86 100 ALA N 9.118018 0.050398 . . 87 101 VAL N 9.446559 0.045649 . . 88 102 ASN N 9.045812 0.119295 . . 89 103 ASP N 9.889166 0.088620 . . 90 104 ALA N 8.549642 0.071409 . . 91 106 LEU N 9.342666 0.088114 . . 92 107 LEU N 13.95453 0.165017 . . 93 108 GLN N 9.752051 0.045215 . . 94 109 TYR N 9.176476 0.100136 . . 95 110 ASN N 9.399100 0.101769 . . 96 111 HIS N 9.213207 0.065685 . . 97 112 ARG N 9.649553 0.139153 . . 98 113 VAL N 8.829560 0.080527 . . 99 115 LYS N 10.19731 0.442364 . . 100 116 LEU N 8.875346 0.102263 . . 101 117 ASN N 9.536090 0.126115 . . 102 118 GLU N 9.127814 0.082669 . . 103 119 ILE N 9.239291 0.095400 . . 104 120 SER N 7.911369 0.053045 . . 105 121 LYS N 9.464284 0.050315 . . 106 122 LEU N 9.059278 0.088559 . . 107 123 GLY N 9.167876 0.067689 . . 108 124 ILE N 9.096599 0.079661 . . 109 125 SER N 8.908735 0.058645 . . 110 126 GLY N 8.982734 0.072199 . . 111 127 ASP N 8.988124 0.101260 . . 112 128 ILE N 8.898232 0.046080 . . 113 129 ASP N 8.886599 0.056285 . . 114 130 LEU N 8.247687 0.043164 . . 115 131 THR N 9.281352 0.085384 . . 116 132 SER N 8.755178 0.079616 . . 117 133 ALA N 9.134044 0.068664 . . 118 134 SER N 8.846571 0.059278 . . 119 135 TYR N 8.878305 0.050201 . . 120 136 THR N 9.103069 0.058243 . . 121 137 MET N 8.581566 0.086048 . . 122 138 ILE N 8.399700 0.036353 . . stop_ save_ save_heteronucl_T2_relaxation_2 _Saveframe_category T2_relaxation _Details . loop_ _Software_label $software_3 $software_4 $software_5 stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 599.8821277 _T2_coherence_type I(+,-) _T2_value_units s-1 _Mol_system_component_name gal3C _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 N 7.613906 0.442377 . . 2 3 ILE N 7.781833 0.025081 . . 3 4 VAL N 8.205605 0.031912 . . 4 6 TYR N 9.388095 0.093149 . . 5 7 ASN N 9.180031 0.075716 . . 6 8 LEU N 9.098321 0.053602 . . 7 10 LEU N 8.854220 0.042588 . . 8 12 GLY N 12.176400 0.810415 . . 9 13 GLY N 9.343272 0.077111 . . 10 14 VAL N 8.987485 0.083845 . . 11 15 VAL N 10.151230 0.067055 . . 12 17 ARG N 9.339477 0.067922 . . 13 18 MET N 9.646909 0.059558 . . 14 19 LEU N 10.037830 0.072449 . . 15 20 ILE N 9.350376 0.029678 . . 16 21 THR N 10.127040 0.166933 . . 17 22 ILE N 9.170361 0.035506 . . 18 23 LEU N 9.257955 0.057562 . . 19 24 GLY N 9.136690 0.088510 . . 20 25 THR N 9.090903 0.030284 . . 21 26 VAL N 9.549868 0.132935 . . 22 27 LYS N 9.849001 0.060925 . . 23 29 ASN N 11.922870 0.539566 . . 24 30 ALA N 8.431563 0.063390 . . 25 31 ASN N 8.998173 0.084244 . . 26 32 ARG N 9.574109 0.110131 . . 27 33 ILE N 9.150239 0.080429 . . 28 34 ALA N 9.382658 0.048750 . . 29 35 LEU N 9.364259 0.070736 . . 30 36 ASP N 8.909548 0.027055 . . 31 37 PHE N 10.066260 0.368080 . . 32 38 GLN N 9.290553 0.054844 . . 33 39 ARG N 9.515344 0.060435 . . 34 42 ASP N 9.846906 0.055259 . . 35 43 VAL N 9.558988 0.065161 . . 36 44 ALA N 8.967730 0.334932 . . 37 45 PHE N 9.673499 0.035663 . . 38 46 HIS N 9.699907 0.083413 . . 39 47 PHE N 9.380790 0.032521 . . 40 48 ASN N 9.549624 0.066000 . . 41 50 ARG N 9.363986 0.091676 . . 42 51 PHE N 9.388182 0.075793 . . 43 52 ASN N 9.807388 0.094507 . . 44 53 GLU N 8.744446 0.126390 . . 45 55 ASN N 8.892976 0.041554 . . 46 56 ARG N 8.652764 0.051916 . . 47 57 ARG N 8.367774 0.064569 . . 48 58 VAL N 8.642182 0.148096 . . 49 59 ILE N 9.242376 0.044240 . . 50 60 VAL N 9.409722 0.044250 . . 51 61 CYS N 9.337657 0.144532 . . 52 62 ASN N 9.547202 0.071357 . . 53 63 THR N 9.278542 0.045710 . . 54 64 LYS N 9.682517 0.083977 . . 55 65 LEU N 9.449094 0.063379 . . 56 66 ASP N 9.550388 0.033579 . . 57 67 ASN N 10.023970 0.036684 . . 58 68 ASN N 9.162491 0.059233 . . 59 69 TRP N 9.843830 0.107329 . . 60 70 GLY N 9.322855 0.048427 . . 61 71 ARG N 10.480240 0.076115 . . 62 72 GLU N 9.215808 0.101793 . . 63 73 GLU N 9.156376 0.034894 . . 64 74 ARG N 9.220961 0.320449 . . 65 75 GLN N 9.242921 0.054368 . . 66 77 VAL N 11.905170 0.046743 . . 67 78 PHE N 9.982322 0.103564 . . 68 80 PHE N 7.397427 0.032738 . . 69 81 GLU N 9.791382 0.209892 . . 70 82 SER N 9.531992 0.132269 . . 71 83 GLY N 9.383828 0.068408 . . 72 84 LYS N 9.512001 0.106707 . . 73 86 PHE N 9.318437 0.076334 . . 74 87 LYS N 9.603532 0.055577 . . 75 88 ILE N 9.099900 0.031163 . . 76 89 GLN N 8.550838 0.379255 . . 77 90 VAL N 9.770255 0.069221 . . 78 91 LEU N 9.728502 0.076516 . . 79 92 VAL N 10.548360 0.052339 . . 80 93 GLU N 10.402120 0.270935 . . 81 95 ASP N 13.777740 0.118771 . . 82 96 HIS N 12.083060 0.079572 . . 83 97 PHE N 9.509646 0.068141 . . 84 98 LYS N 15.288550 0.077564 . . 85 99 VAL N 23.951160 0.560699 . . 86 100 ALA N 9.557863 0.046875 . . 87 101 VAL N 9.952621 0.034862 . . 88 102 ASN N 9.612499 0.060473 . . 89 103 ASP N 10.353010 0.098050 . . 90 104 ALA N 8.828382 0.056006 . . 91 106 LEU N 10.102520 0.091066 . . 92 107 LEU N 15.269950 0.109960 . . 93 108 GLN N 10.389840 0.062908 . . 94 109 TYR N 10.522170 0.196730 . . 95 110 ASN N 9.713616 0.099390 . . 96 111 HIS N 9.262054 0.018566 . . 97 112 ARG N 9.623825 0.100940 . . 98 113 VAL N 8.804117 0.067662 . . 99 115 LYS N 9.242086 0.237972 . . 100 116 LEU N 9.059929 0.040025 . . 101 117 ASN N 9.714198 0.087304 . . 102 118 GLU N 9.226376 0.080388 . . 103 119 ILE N 9.640507 0.022020 . . 104 120 SER N 8.224368 0.051718 . . 105 121 LYS N 10.107140 0.043190 . . 106 122 LEU N 9.207611 0.087367 . . 107 123 GLY N 9.454910 0.054670 . . 108 124 ILE N 9.390910 0.062967 . . 109 125 SER N 8.846807 0.177194 . . 110 126 GLY N 9.409162 0.035176 . . 111 127 ASP N 9.516846 0.162656 . . 112 128 ILE N 9.380532 0.049792 . . 113 129 ASP N 8.997835 0.034717 . . 114 130 LEU N 8.592872 0.045215 . . 115 131 THR N 9.933319 0.068566 . . 116 132 SER N 9.201875 0.047789 . . 117 133 ALA N 9.247481 0.047529 . . 118 134 SER N 9.147912 0.037480 . . 119 135 TYR N 9.226913 0.037386 . . 120 136 THR N 9.454022 0.034089 . . 121 137 MET N 8.507421 0.084973 . . 122 138 ILE N 8.716918 0.024155 . . stop_ save_ save_heteronucl_T2_relaxation_3 _Saveframe_category T2_relaxation _Details . loop_ _Software_label $software_3 $software_4 $software_5 stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 800.066 _T2_coherence_type I(+,-) _T2_value_units s-1 _Mol_system_component_name gal3C _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 N 8.468472 0.157594 . . 2 3 ILE N 8.735632 0.088092 . . 3 4 VAL N 9.366855 0.067823 . . 4 6 TYR N 10.405620 0.051439 . . 5 7 ASN N 10.164390 0.084897 . . 6 8 LEU N 10.244490 0.170302 . . 7 10 LEU N 9.728099 0.018548 . . 8 12 GLY N 12.770070 0.937844 . . 9 13 GLY N 11.217560 0.206728 . . 10 14 VAL N 10.540820 0.195357 . . 11 15 VAL N 11.853550 0.140728 . . 12 17 ARG N 10.386010 0.037654 . . 13 18 MET N 11.085390 0.083621 . . 14 19 LEU N 11.601800 0.255978 . . 15 20 ILE N 10.574400 0.080699 . . 16 21 THR N 11.089290 0.443225 . . 17 22 ILE N 10.603730 0.709972 . . 18 23 LEU N 10.390900 0.082423 . . 19 24 GLY N 10.690980 0.177041 . . 20 25 THR N 9.956421 0.056117 . . 21 26 VAL N 10.907020 0.219496 . . 22 27 LYS N 11.713760 0.260375 . . 23 29 ASN N 10.423030 0.542560 . . 24 30 ALA N 9.948062 0.164017 . . 25 31 ASN N 9.764284 0.089379 . . 26 32 ARG N 10.805110 0.091443 . . 27 33 ILE N 10.071160 0.197058 . . 28 34 ALA N 10.652220 0.133900 . . 29 35 LEU N 10.085660 0.134587 . . 30 36 ASP N 9.747141 0.151944 . . 31 37 PHE N 10.477580 0.317559 . . 32 38 GLN N 10.149780 0.080005 . . 33 39 ARG N 10.336060 0.124729 . . 34 42 ASP N 11.314270 0.249813 . . 35 43 VAL N 10.225290 0.187775 . . 36 44 ALA N 11.106240 0.114354 . . 37 45 PHE N 10.684040 0.162233 . . 38 46 HIS N 11.929980 0.526034 . . 39 47 PHE N 10.266060 0.058871 . . 40 48 ASN N 10.443820 0.068613 . . 41 50 ARG N 10.460570 0.142364 . . 42 51 PHE N 10.265320 0.190690 . . 43 52 ASN N 10.804240 0.230384 . . 44 53 GLU N 9.495684 0.260848 . . 45 55 ASN N 10.201310 0.233517 . . 46 56 ARG N 9.664033 0.109472 . . 47 57 ARG N 9.366987 0.119109 . . 48 58 VAL N 10.582210 0.455470 . . 49 59 ILE N 10.040670 0.079233 . . 50 60 VAL N 10.565250 0.150510 . . 51 61 CYS N 10.542740 0.103085 . . 52 62 ASN N 10.769140 0.132525 . . 53 63 THR N 9.944215 0.205970 . . 54 64 LYS N 11.494140 0.834406 . . 55 65 LEU N 10.409710 0.057867 . . 56 66 ASP N 10.284400 0.140003 . . 57 67 ASN N 12.112830 0.046990 . . 58 68 ASN N 10.652300 0.090884 . . 59 69 TRP N 10.741010 0.231546 . . 60 70 GLY N 10.466700 0.203241 . . 61 71 ARG N 11.676920 0.125350 . . 62 72 GLU N 10.424700 0.201142 . . 63 73 GLU N 10.181500 0.232712 . . 64 74 ARG N 10.067700 0.511395 . . 65 75 GLN N 10.200620 0.133954 . . 66 77 VAL N 13.686550 0.158105 . . 67 78 PHE N 10.712530 0.260204 . . 68 80 PHE N 8.151665 0.191762 . . 69 81 GLU N 10.502650 0.137533 . . 70 82 SER N 10.693910 0.121652 . . 71 83 GLY N 10.141230 0.077069 . . 72 84 LYS N 10.455500 0.138640 . . 73 86 PHE N 10.257810 0.039214 . . 74 87 LYS N 10.328660 0.099974 . . 75 88 ILE N 10.213140 0.066575 . . 76 89 GLN N 9.955612 0.420154 . . 77 90 VAL N 11.250510 0.044376 . . 78 91 LEU N 11.597570 0.936939 . . 79 92 VAL N 12.439070 0.193847 . . 80 93 GLU N 12.800340 0.536009 . . 81 95 ASP N 18.901160 0.144299 . . 82 96 HIS N 15.263160 0.212807 . . 83 97 PHE N 10.536680 0.281410 . . 84 98 LYS N 21.709610 0.147535 . . 85 99 VAL N 25.326530 3.841410 . . 86 100 ALA N 11.482510 0.914891 . . 87 101 VAL N 11.128230 0.092650 . . 88 102 ASN N 10.855030 0.122061 . . 89 103 ASP N 12.190210 0.139501 . . 90 104 ALA N 10.340260 0.202437 . . 91 106 LEU N 11.172060 0.198138 . . 92 107 LEU N 17.173380 0.627314 . . 93 108 GLN N 12.023410 0.204494 . . 94 109 TYR N 12.238460 0.060282 . . 95 110 ASN N 11.671270 0.769923 . . 96 111 HIS N 10.395900 0.144495 . . 97 112 ARG N 10.337150 0.227708 . . 98 113 VAL N 9.391877 0.292596 . . 99 115 LYS N 10.455750 0.145915 . . 100 116 LEU N 10.090920 0.064894 . . 101 117 ASN N 11.134840 0.082159 . . 102 118 GLU N 10.447230 0.093834 . . 103 119 ILE N 10.638510 0.047092 . . 104 120 SER N 8.989541 0.138150 . . 105 121 LYS N 11.624510 0.134579 . . 106 122 LEU N 10.261710 0.108784 . . 107 123 GLY N 10.266800 0.052684 . . 108 124 ILE N 9.939405 0.103478 . . 109 125 SER N 10.499970 0.135385 . . 110 126 GLY N 11.323550 0.366735 . . 111 127 ASP N 10.196810 0.156190 . . 112 128 ILE N 10.426760 0.037767 . . 113 129 ASP N 10.001920 0.189027 . . 114 130 LEU N 9.261263 0.219468 . . 115 131 THR N 10.936530 0.180597 . . 116 132 SER N 10.411860 0.116823 . . 117 133 ALA N 10.258120 0.069702 . . 118 134 SER N 10.111240 0.102521 . . 119 135 TYR N 10.346710 0.079827 . . 120 136 THR N 10.350070 0.130308 . . 121 137 MET N 9.647073 0.292494 . . 122 138 ILE N 9.623179 0.055653 . . stop_ save_ save_heteronucl_NOEs_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $software_1 $software_3 $software_4 $software_5 stop_ loop_ _Experiment_label '1H-15N heteronoe 500' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 499.8598763 _Mol_system_component_name gal3C _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak integral' _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 2 LEU 0.429806 0.271753 3 ILE 0.663988 0.028484 4 VAL 0.752449 0.036005 6 TYR 0.804974 0.042019 7 ASN 0.835797 0.050197 8 LEU 0.752489 0.037593 10 LEU 0.935866 0.046841 12 GLY 0.739443 0.340871 13 GLY 0.793516 0.033882 14 VAL 0.726788 0.034752 15 VAL 0.748302 0.037979 17 ARG 0.764686 0.041198 18 MET 0.772385 0.031570 19 LEU 0.753068 0.043078 20 ILE 0.839686 0.045023 21 THR 0.842792 0.038263 22 ILE 0.821885 0.040416 23 LEU 0.835490 0.044525 24 GLY 0.797503 0.028401 25 THR 0.844989 0.042243 26 VAL 0.860408 0.034300 27 LYS 0.885840 0.045114 29 ASN 0.935361 0.290382 30 ALA 0.728734 0.023168 31 ASN 0.809399 0.049942 32 ARG 0.874580 0.037835 33 ILE 0.720073 0.039249 34 ALA 0.871352 0.039010 35 LEU 0.878108 0.051564 36 ASP 0.855801 0.042373 37 PHE 0.839165 0.035173 38 GLN 0.863677 0.045184 39 ARG 0.845026 0.047334 42 ASP 0.840252 0.036201 43 VAL 0.791099 0.045548 44 ALA 0.829667 0.029056 45 PHE 0.864052 0.034920 46 HIS 0.812046 0.051653 47 PHE 0.829465 0.044374 48 ASN 0.865203 0.045872 50 ARG 0.814314 0.048382 51 PHE 0.901085 0.054403 52 ASN 0.816376 0.040435 53 GLU 0.712838 0.027142 55 ASN 0.750152 0.034814 56 ARG 0.745153 0.029606 57 ARG 0.778398 0.036290 58 VAL 0.768712 0.027208 59 ILE 0.816626 0.040828 60 VAL 0.736279 0.036858 61 CYS 0.970284 0.056022 62 ASN 0.772797 0.033190 63 THR 0.812351 0.041765 64 LYS 0.923440 0.053265 65 LEU 0.835141 0.041965 66 ASP 0.757424 0.031923 67 ASN 0.832891 0.038604 68 ASN 0.795978 0.028487 69 TRP 0.911280 0.054836 70 GLY 0.790234 0.039248 71 ARG 0.877615 0.049153 72 GLU 0.750327 0.032273 73 GLU 0.746709 0.039007 74 ARG 0.744612 0.115358 75 GLN 0.859486 0.046179 77 VAL 0.794636 0.035728 78 PHE 0.861911 0.066429 80 PHE 0.796504 0.029967 81 GLU 0.823051 0.020884 82 SER 0.896295 0.107067 83 GLY 0.747818 0.038322 84 LYS 0.855985 0.036275 86 PHE 0.791513 0.032061 87 LYS 0.854417 0.044894 88 ILE 0.863969 0.041462 89 GLN 0.853893 0.031289 90 VAL 0.838440 0.045707 91 LEU 0.878399 0.052662 92 VAL 0.898429 0.049333 93 GLU 1.016444 0.066405 95 ASP 0.841245 0.071718 96 HIS 0.782958 0.038992 97 PHE 0.876417 0.053264 98 LYS 0.827557 0.044748 99 VAL 0.827944 0.057682 100 ALA 0.910414 0.046649 101 VAL 0.757137 0.037932 102 ASN 0.846565 0.038187 103 ASP 0.848387 0.040103 104 ALA 0.818435 0.028909 106 LEU 0.896559 0.067370 107 LEU 0.833239 0.047659 108 GLN 0.750336 0.039137 109 TYR 0.987743 0.114482 110 ASN 0.812649 0.032399 111 HIS 0.800530 0.032969 112 ARG 0.811780 0.064584 113 VAL 0.822755 0.054516 115 LYS 0.729381 0.107340 116 LEU 0.893057 0.041352 117 ASN 0.804845 0.030289 118 GLU 0.842388 0.040780 119 ILE 0.857842 0.038499 120 SER 0.719376 0.036396 121 LYS 0.827216 0.031024 122 LEU 0.746191 0.039007 123 GLY 0.865987 0.046853 124 ILE 0.885615 0.053110 125 SER 0.816603 0.024225 126 GLY 0.860528 0.050500 127 ASP 0.804585 0.021616 128 ILE 0.778157 0.035682 129 ASP 0.862637 0.047057 130 LEU 0.774035 0.039794 131 THR 0.830381 0.052673 132 SER 0.759771 0.032206 133 ALA 0.801318 0.034488 134 SER 0.836005 0.032556 135 TYR 0.847717 0.032766 136 THR 0.778187 0.034726 137 MET 0.744042 0.035597 138 ILE 0.781294 0.039068 stop_ save_ save_heteronucl_NOEs_2 _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $software_1 $software_3 $software_4 $software_5 stop_ loop_ _Experiment_label '1H-15N heteronoe 600' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 599.8821277 _Mol_system_component_name gal3C _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak integral' _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 2 LEU 0.369149 0.129135 3 ILE 0.668267 0.013522 4 VAL 0.669794 0.016123 6 TYR 0.815109 0.022622 7 ASN 0.763001 0.024684 8 LEU 0.784175 0.019855 10 LEU 0.782167 0.020794 12 GLY 0.993695 0.357687 13 GLY 0.793138 0.016970 14 VAL 0.751420 0.018844 15 VAL 0.771058 0.020187 17 ARG 0.783883 0.021330 18 MET 0.803006 0.017791 19 LEU 0.797024 0.022833 20 ILE 0.823488 0.022689 21 THR 0.789548 0.018477 22 ILE 0.821920 0.020833 23 LEU 0.805093 0.020976 24 GLY 0.769629 0.013340 25 THR 0.802435 0.019485 26 VAL 0.781334 0.018262 27 LYS 0.801772 0.021323 29 ASN 0.762376 0.123311 30 ALA 0.709144 0.010827 31 ASN 0.803230 0.025978 32 ARG 0.824785 0.019168 33 ILE 0.787321 0.011601 34 ALA 0.796373 0.017763 35 LEU 0.802326 0.024845 36 ASP 0.778795 0.018998 37 PHE 0.821975 0.021180 38 GLN 0.752768 0.020321 39 ARG 0.801438 0.024298 42 ASP 0.775673 0.016806 43 VAL 0.799399 0.024220 44 ALA 0.805046 0.017072 45 PHE 0.844431 0.018911 46 HIS 0.813378 0.026730 47 PHE 0.801280 0.022113 48 ASN 0.798616 0.022431 50 ARG 0.774563 0.025841 51 PHE 0.807920 0.027722 52 ASN 0.764822 0.019715 53 GLU 0.712336 0.015699 55 ASN 0.785176 0.018156 56 ARG 0.775728 0.016027 57 ARG 0.748725 0.018710 58 VAL 0.785965 0.016329 59 ILE 0.781148 0.020203 60 VAL 0.798336 0.020984 61 CYS 0.777410 0.025015 62 ASN 0.809433 0.017857 63 THR 0.796790 0.022845 64 LYS 0.823461 0.023092 65 LEU 0.787180 0.011557 66 ASP 0.784045 0.017972 67 ASN 0.803211 0.017788 68 ASN 0.782276 0.014870 69 TRP 0.818432 0.024480 70 GLY 0.814723 0.021467 71 ARG 0.848663 0.023822 72 GLU 0.795139 0.016629 73 GLU 0.817894 0.022551 74 ARG 0.722483 0.061351 75 GLN 0.784045 0.021007 77 VAL 0.784143 0.020194 78 PHE 0.776256 0.029786 80 PHE 0.741657 0.007817 81 GLU 0.796592 0.010314 82 SER 0.781679 0.038057 83 GLY 0.796613 0.022136 84 LYS 0.977325 0.024605 86 PHE 0.775829 0.015954 87 LYS 0.790996 0.023695 88 ILE 0.772960 0.019591 89 GLN 0.793370 0.018400 90 VAL 0.817518 0.023579 91 LEU 0.814798 0.024808 92 VAL 0.791227 0.022378 93 GLU 0.833371 0.021506 95 ASP 0.809142 0.024528 96 HIS 0.774623 0.021121 97 PHE 0.796009 0.024440 98 LYS 0.838867 0.026308 99 VAL 0.842299 0.054601 100 ALA 0.832340 0.019737 101 VAL 0.777022 0.021464 102 ASN 0.773141 0.020468 103 ASP 0.810807 0.019286 104 ALA 0.809824 0.014644 106 LEU 0.805090 0.015821 107 LEU 0.828209 0.025756 108 GLN 0.776282 0.020294 109 TYR 0.835968 0.022761 110 ASN 0.802949 0.015759 111 HIS 0.813547 0.016982 112 ARG 0.805168 0.038362 113 VAL 0.740703 0.025047 115 LYS 0.753950 0.058149 116 LEU 0.777876 0.019134 117 ASN 0.792387 0.015062 118 GLU 0.754609 0.019041 119 ILE 0.787037 0.019257 120 SER 0.714732 0.018603 121 LYS 0.813487 0.016262 122 LEU 0.802507 0.023950 123 GLY 0.794771 0.022323 124 ILE 0.818777 0.025339 125 SER 0.812497 0.020956 126 GLY 0.765006 0.022833 127 ASP 0.788152 0.016598 128 ILE 0.800559 0.020705 129 ASP 0.798886 0.012810 130 LEU 0.782702 0.020527 131 THR 0.809477 0.027119 132 SER 0.779781 0.016870 133 ALA 0.802322 0.017798 134 SER 0.791657 0.015570 135 TYR 0.813509 0.016179 136 THR 0.811186 0.017384 137 MET 0.761556 0.019080 138 ILE 0.770322 0.018953 stop_ save_ save_heteronucl_NOEs_3 _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $software_1 $software_3 $software_4 $software_5 stop_ loop_ _Experiment_label '1H-15N heteronoe 800' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 800.066 _Mol_system_component_name gal3C _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak integral' _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 2 LEU 0.453318 0.039029 3 ILE 0.706790 0.007628 4 VAL 0.727048 0.008928 6 TYR 0.832077 0.010526 7 ASN 0.833618 0.012971 8 LEU 0.824816 0.010727 10 LEU 0.827557 0.010208 12 GLY 0.838138 0.096272 13 GLY 0.825558 0.009637 14 VAL 0.781311 0.009521 15 VAL 0.818363 0.010879 17 ARG 0.845859 0.011671 18 MET 0.835226 0.009398 19 LEU 0.855623 0.012310 20 ILE 0.837832 0.011341 21 THR 0.847222 0.009247 22 ILE 0.843092 0.010511 23 LEU 0.855386 0.010543 24 GLY 0.844171 0.008723 25 THR 0.839234 0.010320 26 VAL 0.837483 0.010234 27 LYS 0.850004 0.011676 29 ASN 0.775649 0.049484 30 ALA 0.740117 0.007038 31 ASN 0.844455 0.012677 32 ARG 0.844381 0.010498 33 ILE 0.840539 0.011158 34 ALA 0.856858 0.010379 35 LEU 0.847699 0.011834 36 ASP 0.841599 0.010079 37 PHE 0.848483 0.008595 38 GLN 0.845360 0.010862 39 ARG 0.838817 0.011406 42 ASP 0.842654 0.009135 43 VAL 0.829568 0.011963 44 ALA 0.849180 0.007868 45 PHE 0.843708 0.009561 46 HIS 0.863719 0.014208 47 PHE 0.848657 0.011196 48 ASN 0.847437 0.011658 50 ARG 0.849897 0.012484 51 PHE 0.850124 0.013625 52 ASN 0.825526 0.010753 53 GLU 0.776008 0.009077 55 ASN 0.821402 0.010353 56 ARG 0.806941 0.008155 57 ARG 0.791853 0.009757 58 VAL 0.826080 0.006844 59 ILE 0.820245 0.010485 60 VAL 0.845681 0.010736 61 CYS 0.848615 0.013528 62 ASN 0.863704 0.010195 63 THR 0.845652 0.011324 64 LYS 0.859331 0.012712 65 LEU 0.845621 0.010750 66 ASP 0.841615 0.009783 67 ASN 0.849022 0.011184 68 ASN 0.817583 0.008039 69 TRP 0.859655 0.012523 70 GLY 0.840413 0.010611 71 ARG 0.854373 0.011884 72 GLU 0.820391 0.009156 73 GLU 0.826537 0.010816 74 ARG 0.830109 0.029776 75 GLN 0.824998 0.010861 77 VAL 0.823841 0.010757 78 PHE 0.837806 0.014455 80 PHE 0.797291 0.011423 81 GLU 0.850233 0.005627 82 SER 0.761484 0.017696 83 GLY 0.796486 0.010704 84 LYS 0.848294 0.009565 86 PHE 0.832997 0.009371 87 LYS 0.839554 0.011014 88 ILE 0.858062 0.010724 89 GLN 0.843887 0.008298 90 VAL 0.837705 0.011410 91 LEU 0.830176 0.015367 92 VAL 0.860952 0.013710 93 GLU 0.844695 0.011013 95 ASP 0.852238 0.028641 96 HIS 0.862916 0.016472 97 PHE 0.870068 0.012868 98 LYS 0.833166 0.013417 99 VAL 0.845645 0.015768 100 ALA 0.847884 0.010471 101 VAL 0.844854 0.010904 102 ASN 0.853236 0.011239 103 ASP 0.836835 0.011339 104 ALA 0.843454 0.008205 106 LEU 0.841402 0.009979 107 LEU 0.859341 0.014874 108 GLN 0.844904 0.011283 109 TYR 0.844357 0.010607 110 ASN 0.839998 0.009914 111 HIS 0.856313 0.009944 112 ARG 0.835383 0.015787 113 VAL 0.797954 0.012399 115 LYS 0.764802 0.024402 116 LEU 0.802366 0.010183 117 ASN 0.838798 0.008554 118 GLU 0.859970 0.010315 119 ILE 0.835352 0.010504 120 SER 0.732761 0.009724 121 LYS 0.832431 0.008729 122 LEU 0.833318 0.011077 123 GLY 0.831805 0.011918 124 ILE 0.849187 0.012244 125 SER 0.850818 0.007136 126 GLY 0.845877 0.013621 127 ASP 0.850678 0.006801 128 ILE 0.840094 0.010625 129 ASP 0.834472 0.011219 130 LEU 0.824848 0.010253 131 THR 0.820530 0.012945 132 SER 0.848232 0.009540 133 ALA 0.847195 0.009301 134 SER 0.843918 0.008635 135 TYR 0.850643 0.009158 136 THR 0.855352 0.009498 137 MET 0.797640 0.009547 138 ILE 0.812629 0.009814 stop_ save_ save_order_parameters_1 _Saveframe_category S2_parameters _Details . loop_ _Software_label $software_6 stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Mol_system_component_name gal3C _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 . 0.696559075787512 0.00179226443936046 . . . . . . . . . . . . 4 VAL N . 0.751655763034722 0.00172685890362829 . . . . . . . . . . . . 6 TYR N . 0.86064871599483 0.00233128137721317 . . . . . . . . . . . . 7 ASN N . 0.827347291737444 0.00408321352883076 . . . . . . . . . . . . 8 LEU N . 0.838711080608177 0.0028860792733754 . . . . . . . . . . . . 10 LEU N . 0.792324570458225 0.00129510763911673 . . . . . . . . . . . . 13 GLY N . 0.864130535156021 0.00318620699079129 . . . . . . . . . . . . 14 VAL N . 0.773973501917433 0.00288206668965936 . . . . . . . . . . . . 15 VAL N . 0.818634912505895 0.00291104857563219 . . . . . . . . . . . . 17 ARG N . 0.831967490226777 0.00195760997243799 . . . . . . . . . . . . 18 MET N . 0.852558398465275 0.00324824974655813 . . . . . . . . . . . . 19 LEU N . 0.885599404453777 0.00480075132332503 . . . . . . . . . . . . 20 ILE N . 0.861050330492486 0.00198645099700044 . . . . . . . . . . . . 21 THR N . 0.841854480352537 0.00214427329720131 . . . . . . . . . . . . 22 ILE N . 0.855974914841104 0.0023236842796753 . . . . . . . . . . . . 23 LEU N . 0.852197612197929 0.00185423635891278 . . . . . . . . . . . . 24 GLY N . 0.858198858786421 0.00204335991039147 . . . . . . . . . . . . 25 THR N . 0.841514786740838 0.00183013657924185 . . . . . . . . . . . . 26 VAL N . 0.866228717156017 0.00519551899651041 . . . . . . . . . . . . 27 LYS N . 0.861710615590747 0.00211151063354743 . . . . . . . . . . . . 30 ALA N . 0.764054292911416 0.00266379704553635 . . . . . . . . . . . . 31 ASN N . 0.818192285402471 0.00296006787060396 . . . . . . . . . . . . 32 ARG N . 0.876126019975702 0.00321380543030165 . . . . . . . . . . . . 33 ILE N . 0.844865053257612 0.00337750602109576 . . . . . . . . . . . . 34 ALA N . 0.861492991892447 0.00187474384734621 . . . . . . . . . . . . 35 LEU N . 0.839187760145114 0.00343266854838855 . . . . . . . . . . . . 36 ASP N . 0.816054421536616 0.00183450373053709 . . . . . . . . . . . . 38 GLN N . 0.853156620798448 0.00153210764833862 . . . . . . . . . . . . 39 ARG N . 0.854549787088753 0.00282955015532741 . . . . . . . . . . . . 42 ASP N . 0.835616972638458 0.00255473664271419 . . . . . . . . . . . . 43 VAL N . 0.827911142848043 0.00410307861837672 . . . . . . . . . . . . 44 ALA N . 0.875600565390657 0.00437533269452499 . . . . . . . . . . . . 45 PHE N . 0.895104738087008 0.00213180635979939 . . . . . . . . . . . . 46 HIS N . 0.88319774848228 0.0023339832212965 . . . . . . . . . . . . 47 PHE N . 0.861093981798399 0.00136176568097392 . . . . . . . . . . . . 48 ASN N . 0.861420367498093 0.00244087770761863 . . . . . . . . . . . . 50 ARG N . 0.874033944344782 0.0036372176061675 . . . . . . . . . . . . 51 PHE N . 0.862962578136204 0.00305936915946215 . . . . . . . . . . . . 52 ASN N . 0.872739176026049 0.00788260766878945 . . . . . . . . . . . . 53 GLU N . 0.825478323339814 0.00372997686323143 . . . . . . . . . . . . 55 ASN N . 0.839109649776933 0.00309695988670923 . . . . . . . . . . . . 56 ARG N . 0.799405534037842 0.00207087431639263 . . . . . . . . . . . . 57 ARG N . 0.78002686466714 0.00234691884431715 . . . . . . . . . . . . 58 VAL N . 0.853553098300619 0.00360990564744105 . . . . . . . . . . . . 59 ILE N . 0.852051878307754 0.00246145035890264 . . . . . . . . . . . . 60 VAL N . 0.857742460674556 0.00274139047902383 . . . . . . . . . . . . 61 CYS N . 0.857263325628495 0.00363221737351115 . . . . . . . . . . . . 62 ASN N . 0.856605257787653 0.00290744971286428 . . . . . . . . . . . . 63 THR N . 0.830087297133682 0.00379379370865973 . . . . . . . . . . . . 64 LYS N . 0.875392911638781 0.00343818476835265 . . . . . . . . . . . . 65 LEU N . 0.832225108938636 0.00244735619455842 . . . . . . . . . . . . 66 ASP N . 0.856813971810612 0.00312211794754636 . . . . . . . . . . . . 67 ASN N . 0.852017705060468 0.00279333683034194 . . . . . . . . . . . . 68 ASN N . 0.795914911289296 0.00305756878621197 . . . . . . . . . . . . 69 TRP N . 0.883478966723344 0.00680507083883568 . . . . . . . . . . . . 70 GLY N . 0.82669980028101 0.00291498985440599 . . . . . . . . . . . . 71 ARG N . 0.932764533044038 0.00479786714097105 . . . . . . . . . . . . 72 GLU N . 0.829154333024597 0.00213542393953869 . . . . . . . . . . . . 73 GLU N . 0.830517247323982 0.00347380573526475 . . . . . . . . . . . . 74 ARG N . 0.83929649810891 0.0120623407340285 . . . . . . . . . . . . 75 GLN N . 0.841992304066011 0.00287636687618336 . . . . . . . . . . . . 77 VAL N . 0.810037366204336 0.00278503683879681 . . . . . . . . . . . . 78 PHE N . 0.888853742213057 0.0103858637414686 . . . . . . . . . . . . 80 PHE N . 0.657829379899161 0.0029117841226212 . . . . . . . . . . . . 81 GLU N . 0.853538324879375 0.00350755726635153 . . . . . . . . . . . . 82 SER N . 0.851701235022345 0.00644613357813547 . . . . . . . . . . . . 83 GLY N . 0.832210851932049 0.00320919554777533 . . . . . . . . . . . . 86 PHE N . 0.837702670337834 0.00240151878234739 . . . . . . . . . . . . 87 LYS N . 0.856075281199178 0.00252567816462892 . . . . . . . . . . . . 88 ILE N . 0.844010324223333 0.00163511828876439 . . . . . . . . . . . . 89 GLN N . 0.844479788705902 0.00346550819462794 . . . . . . . . . . . . 90 VAL N . 0.826302878860638 0.00295784184194296 . . . . . . . . . . . . 91 LEU N . 0.86689614263702 0.0031591628494329 . . . . . . . . . . . . 92 VAL N . 0.87677003575666 0.00356046405460247 . . . . . . . . . . . . 93 GLU N . 0.867046671847917 0.00353834977491391 . . . . . . . . . . . . 95 ASP N . 0.884215433761365 0.010973787798424 . . . . . . . . . . . . 96 HIS N . 0.902922080066582 0.00327419606089312 . . . . . . . . . . . . 97 PHE N . 0.853226456434104 0.00445807652053529 . . . . . . . . . . . . 98 LYS N . 0.840463811384567 0.00326601322078474 . . . . . . . . . . . . 100 ALA N . 0.883046525648123 0.00169962141820322 . . . . . . . . . . . . 101 VAL N . 0.847344359422023 0.00251557813784566 . . . . . . . . . . . . 102 ASN N . 0.886418906203976 0.00234392113559728 . . . . . . . . . . . . 103 ASP N . 0.870016994334651 0.00329069736933525 . . . . . . . . . . . . 104 ALA N . 0.81548972281442 0.00201296742819131 . . . . . . . . . . . . 106 LEU N . 0.879407923894143 0.00330507442980476 . . . . . . . . . . . . 107 LEU N . 0.881729674538449 0.00396083519328665 . . . . . . . . . . . . 108 GLN N . 0.861053306840531 0.00347140340963052 . . . . . . . . . . . . 109 TYR N . 0.838092685392998 0.00458541244823208 . . . . . . . . . . . . 110 ASN N . 0.864635006198111 0.00362477401870552 . . . . . . . . . . . . 111 HIS N . 0.850240055347299 0.00145776879968983 . . . . . . . . . . . . 112 ARG N . 0.847824900483231 0.0060010970420976 . . . . . . . . . . . . 113 VAL N . 0.7315195793853 0.00393256124362021 . . . . . . . . . . . . 115 LYS N . 0.774596252235101 0.0127413886144621 . . . . . . . . . . . . 116 LEU N . 0.827722099225689 0.00235889308345452 . . . . . . . . . . . . 117 ASN N . 0.890553522672192 0.0029056901898521 . . . . . . . . . . . . 118 GLU N . 0.867710222557925 0.00279320640087544 . . . . . . . . . . . . 119 ILE N . 0.858678025129868 0.00241879219984835 . . . . . . . . . . . . 120 SER N . 0.754501259629465 0.00212644966948007 . . . . . . . . . . . . 121 LYS N . 0.915320216118001 0.00348759268049412 . . . . . . . . . . . . 122 LEU N . 0.842753708993527 0.00265966298564099 . . . . . . . . . . . . 123 GLY N . 0.850120775578032 0.00209464812179788 . . . . . . . . . . . . 124 ILE N . 0.847702397856027 0.00278013242312242 . . . . . . . . . . . . 125 SER N . 0.826309921767486 0.0044623677044822 . . . . . . . . . . . . 126 GLY N . 0.866122523307827 0.00393451871636298 . . . . . . . . . . . . 127 ASP N . 0.823301642769428 0.00293748352378039 . . . . . . . . . . . . 128 ILE N . 0.852233502952536 0.00141356633187532 . . . . . . . . . . . . 129 ASP N . 0.850432655197655 0.00210872852509177 . . . . . . . . . . . . 130 LEU N . 0.807742217655673 0.00240676549935516 . . . . . . . . . . . . 131 THR N . 0.872053565717213 0.00330553871382516 . . . . . . . . . . . . 132 SER N . 0.847327545496727 0.00195222105552849 . . . . . . . . . . . . 133 ALA N . 0.860454927870391 0.0019934126741132 . . . . . . . . . . . . 134 SER N . 0.839906083947637 0.00209369886272721 . . . . . . . . . . . . 135 TYR N . 0.854458375256327 0.00182565099196813 . . . . . . . . . . . . 136 THR N . 0.86458849521536 0.00193516651563387 . . . . . . . . . . . . 137 MET N . 0.788092555374658 0.00400397780427765 . . . . . . . . . . . . 138 ILE N . 0.804830983272408 0.00150630668170665 . . . . . . . . . . . . stop_ _Tau_s_value_units . save_ save_order_parameters_2 _Saveframe_category S2_parameters _Details . loop_ _Software_label $software_7 stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Mol_system_component_name gal3C _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 . 0.560 0.097 . . . . . . . . . . . . 2 LEU CD2 . 0.468 0.000 . . . . . . . . . . . . 3 ILE CD1 . 0.320 0.044 . . . . . . . . . . . . 3 ILE CG2 . 0.586 0.077 . . . . . . . . . . . . 4 VAL CG1 . 0.775 0.073 . . . . . . . . . . . . 8 LEU CD2 . 0.723 0.001 . . . . . . . . . . . . 10 LEU CD1 . 0.730 0.056 . . . . . . . . . . . . 14 VAL CG1 . 0.706 0.002 . . . . . . . . . . . . 15 VAL CG2 . 0.260 0.001 . . . . . . . . . . . . 18 MET CE . 0.474 0.000 . . . . . . . . . . . . 19 LEU CD1 . 0.622 0.002 . . . . . . . . . . . . 19 LEU CD2 . 0.642 0.001 . . . . . . . . . . . . 20 ILE CD1 . 0.334 0.000 . . . . . . . . . . . . 20 ILE CG2 . 0.823 0.000 . . . . . . . . . . . . 21 THR CG2 . 0.962 0.001 . . . . . . . . . . . . 22 ILE CD1 . 0.491 0.042 . . . . . . . . . . . . 22 ILE CG2 . 0.778 0.000 . . . . . . . . . . . . 23 LEU CD1 . 0.364 0.000 . . . . . . . . . . . . 23 LEU CD2 . 0.381 0.026 . . . . . . . . . . . . 25 THR CG1 . 0.669 0.004 . . . . . . . . . . . . 26 VAL CG1 . 0.921 0.001 . . . . . . . . . . . . 30 ALA CB . 0.880 0.001 . . . . . . . . . . . . 33 ILE CD1 . 0.758 0.001 . . . . . . . . . . . . 33 ILE CG2 . 0.715 0.001 . . . . . . . . . . . . 34 ALA CB . 0.603 0.109 . . . . . . . . . . . . 35 LEU CD1 . 0.394 0.001 . . . . . . . . . . . . 35 LEU CD2 . 0.382 0.001 . . . . . . . . . . . . 43 VAL CG1 . 0.773 0.005 . . . . . . . . . . . . 43 VAL CG2 . 0.851 0.001 . . . . . . . . . . . . 44 ALA CB . 0.858 0.009 . . . . . . . . . . . . 58 VAL CG1 . 0.678 0.034 . . . . . . . . . . . . 58 VAL CG2 . 0.444 0.002 . . . . . . . . . . . . 59 ILE CD1 . 0.307 0.000 . . . . . . . . . . . . 59 ILE CG2 . 0.815 0.001 . . . . . . . . . . . . 60 VAL CG1 . 0.886 0.001 . . . . . . . . . . . . 60 VAL CG2 . 0.813 0.002 . . . . . . . . . . . . 65 LEU CD1 . 0.361 0.000 . . . . . . . . . . . . 65 LEU CD2 . 0.422 0.001 . . . . . . . . . . . . 77 VAL CG1 . 0.644 0.001 . . . . . . . . . . . . 77 VAL CG2 . 0.796 0.050 . . . . . . . . . . . . 88 ILE CD1 . 0.722 0.000 . . . . . . . . . . . . 88 ILE CG2 . 0.811 0.001 . . . . . . . . . . . . 90 VAL CG1 . 0.752 0.001 . . . . . . . . . . . . 91 LEU CD1 . 0.596 0.000 . . . . . . . . . . . . 91 LEU CD2 . 0.605 0.001 . . . . . . . . . . . . 92 VAL CG1 . 0.901 0.001 . . . . . . . . . . . . 92 VAL CG2 . 0.860 0.001 . . . . . . . . . . . . 99 VAL CG1 . 0.866 0.001 . . . . . . . . . . . . 99 VAL CG2 . 0.868 0.001 . . . . . . . . . . . . 100 ALA CB . 0.941 0.001 . . . . . . . . . . . . 101 VAL CG1 . 0.866 0.002 . . . . . . . . . . . . 101 VAL CG2 . 0.566 0.000 . . . . . . . . . . . . 104 ALA CB . 0.877 0.000 . . . . . . . . . . . . 106 LEU CD1 . 0.864 0.004 . . . . . . . . . . . . 106 LEU CD2 . 0.652 0.002 . . . . . . . . . . . . 107 LEU CD1 . 0.753 0.004 . . . . . . . . . . . . 113 VAL CG1 . 0.744 0.001 . . . . . . . . . . . . 113 VAL CG2 . 0.729 0.001 . . . . . . . . . . . . 116 LEU CD1 . 0.614 0.001 . . . . . . . . . . . . 116 LEU CD2 . 0.622 0.001 . . . . . . . . . . . . 119 ILE CD1 . 0.649 0.001 . . . . . . . . . . . . 119 ILE CG2 . 0.801 0.051 . . . . . . . . . . . . 122 LEU CD1 . 0.679 0.001 . . . . . . . . . . . . 122 LEU CD2 . 0.672 0.002 . . . . . . . . . . . . 124 ILE CD1 . 0.528 0.000 . . . . . . . . . . . . 124 ILE CG2 . 0.855 0.000 . . . . . . . . . . . . 128 ILE CD1 . 0.519 0.000 . . . . . . . . . . . . 131 THR CG2 . 0.757 0.054 . . . . . . . . . . . . 133 ALA CB . 0.971 0.004 . . . . . . . . . . . . 136 THR CG1 . 0.758 0.107 . . . . . . . . . . . . 137 MET CE . 0.469 0.000 . . . . . . . . . . . . 138 ILE CD1 . 0.384 0.000 . . . . . . . . . . . . 138 ILE CG2 . 0.697 0.063 . . . . . . . . . . . . stop_ _Tau_s_value_units . save_