data_50284 ####################### # 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 para-fluoroaryltriazole galactopyranosyl 1-thio-D-glucopyranoside derivative ; _BMRB_accession_number 50284 _BMRB_flat_file_name bmr50284.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)' 50285 'Galectin-3C in complex with ligand O (KP5)' 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 P-galectin3-C _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label gal3C $entity_1 'ligand P' $entity_KOQ stop_ _System_molecular_weight 16200 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details ; Ligand P is: 3'-[4-(4-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_KOQ _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_KOQ ((2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(4-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 KOQ _PDB_code KOQ _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 . ? C14 C14 C . 0 . ? C12 C12 C . 0 . ? C23 C23 C . 0 . ? C18 C18 C . 0 . ? C17 C17 C . 0 . ? C16 C16 C . 0 . ? C22 C22 C . 0 . ? C21 C21 C . 0 . ? C20 C20 C . 0 . ? C19 C19 C . 0 . ? C02 C02 C . 0 . ? C03 C03 C . 0 . ? C05 C05 C . 0 . ? C07 C07 C . 0 . ? C09 C09 C . 0 . ? C26 C26 C . 0 . ? C28 C28 C . 0 . ? C30 C30 C . 0 . ? C32 C32 C . 0 . ? F34 F34 F . 0 . ? N15 N15 N . 0 . ? N24 N24 N . 0 . ? N25 N25 N . 0 . ? O01 O01 O . 0 . ? O04 O04 O . 0 . ? O08 O08 O . 0 . ? O11 O11 O . 0 . ? O13 O13 O . 0 . ? O27 O27 O . 0 . ? O29 O29 O . 0 . ? O31 O31 O . 0 . ? O33 O33 O . 0 . ? S06 S06 S . 0 . ? H101 H101 H . 0 . ? H102 H102 H . 0 . ? H141 H141 H . 0 . ? H121 H121 H . 0 . ? H231 H231 H . 0 . ? H161 H161 H . 0 . ? H221 H221 H . 0 . ? H201 H201 H . 0 . ? H191 H191 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 . ? H261 H261 H . 0 . ? H281 H281 H . 0 . ? H301 H301 H . 0 . ? H321 H321 H . 0 . ? H011 H011 H . 0 . ? H111 H111 H . 0 . ? H131 H131 H . 0 . ? H271 H271 H . 0 . ? H291 H291 H . 0 . ? H311 H311 H . 0 . ? H331 H331 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 C32 ? ? DOUB N25 N24 ? ? SING N25 N15 ? ? SING O04 C05 ? ? SING O27 C26 ? ? SING O33 C32 ? ? SING N24 C17 ? ? SING C32 C30 ? ? SING C14 N15 ? ? SING C14 C26 ? ? SING C14 C12 ? ? SING C07 C26 ? ? SING C07 S06 ? ? SING C07 O08 ? ? SING N15 C16 ? ? SING C05 S06 ? ? SING C05 C28 ? ? SING C09 C12 ? ? SING C09 O08 ? ? SING C09 C10 ? ? SING C12 O13 ? ? SING O11 C10 ? ? DOUB C17 C16 ? ? SING C17 C18 ? ? SING C30 C28 ? ? SING C30 O31 ? ? DOUB C23 C18 ? ? SING C23 C22 ? ? SING C28 O29 ? ? SING C18 C19 ? ? DOUB C22 C21 ? ? DOUB C19 C20 ? ? SING C21 C20 ? ? SING C21 F34 ? ? SING C10 H101 ? ? SING C10 H102 ? ? SING C14 H141 ? ? SING C12 H121 ? ? SING C23 H231 ? ? SING C16 H161 ? ? SING C22 H221 ? ? SING C20 H201 ? ? SING C19 H191 ? ? SING C02 H022 ? ? SING C02 H021 ? ? SING C03 H031 ? ? SING C05 H051 ? ? SING C07 H071 ? ? SING C09 H091 ? ? SING C26 H261 ? ? SING C28 H281 ? ? SING C30 H301 ? ? SING C32 H321 ? ? SING O01 H011 ? ? SING O11 H111 ? ? SING O13 H131 ? ? SING O27 H271 ? ? SING O29 H291 ? ? SING O31 H311 ? ? SING O33 H331 ? ? 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_KOQ 0.36 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_KOQ 0.36 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_KOQ 0.32 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 '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D CCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 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 0.2233909 . . 2 114 2 LEU HD2 H 0.6920571 . . 3 114 2 LEU CD1 C 23.6937900 . . 4 114 2 LEU CD2 C 21.9760400 . . 5 115 3 ILE HG2 H 0.9441638 . . 6 115 3 ILE HD1 H 0.9132430 . . 7 115 3 ILE CG2 C 17.2972300 . . 8 115 3 ILE CD1 C 12.2945400 . . 9 116 4 VAL HG1 H 1.0813250 . . 10 116 4 VAL HG2 H 1.1752730 . . 11 116 4 VAL CG1 C 21.8817500 . . 12 116 4 VAL CG2 C 21.2931400 . . 13 120 8 LEU HD1 H 0.8271370 . . 14 120 8 LEU HD2 H 1.1849010 . . 15 120 8 LEU CD1 C 26.4345500 . . 16 120 8 LEU CD2 C 24.0657900 . . 17 122 10 LEU HD1 H 0.5047494 . . 18 122 10 LEU HD2 H 0.6997718 . . 19 122 10 LEU CD1 C 23.1720200 . . 20 122 10 LEU CD2 C 26.1198200 . . 21 126 14 VAL HG1 H 0.9778151 . . 22 126 14 VAL HG2 H 0.9921709 . . 23 126 14 VAL CG1 C 22.1239800 . . 24 126 14 VAL CG2 C 23.5108300 . . 25 127 15 VAL HG1 H 0.7894360 . . 26 127 15 VAL HG2 H 0.8747921 . . 27 127 15 VAL CG1 C 19.4763800 . . 28 127 15 VAL CG2 C 21.0742800 . . 29 130 18 MET HE H 1.7363390 . . 30 130 18 MET CE C 17.3386700 . . 31 131 19 LEU HD1 H 0.7835548 . . 32 131 19 LEU HD2 H 0.8127212 . . 33 131 19 LEU CD1 C 25.9145400 . . 34 131 19 LEU CD2 C 23.7334500 . . 35 132 20 ILE HG2 H 0.8843624 . . 36 132 20 ILE HD1 H 1.1581990 . . 37 132 20 ILE CG2 C 17.6930000 . . 38 132 20 ILE CD1 C 15.1596100 . . 39 133 21 THR HG2 H 1.0713370 . . 40 133 21 THR CG2 C 21.0628700 . . 41 134 22 ILE HG2 H 0.9751888 . . 42 134 22 ILE HD1 H 0.7770864 . . 43 134 22 ILE CG2 C 18.4847300 . . 44 134 22 ILE CD1 C 14.3960800 . . 45 135 23 LEU HD1 H 0.7898547 . . 46 135 23 LEU HD2 H 0.8637573 . . 47 135 23 LEU CD1 C 24.7678400 . . 48 135 23 LEU CD2 C 23.7855500 . . 49 137 25 THR HG2 H 0.9569541 . . 50 137 25 THR CG2 C 21.3084100 . . 51 138 26 VAL HG1 H 1.0570170 . . 52 138 26 VAL HG2 H 1.2570190 . . 53 138 26 VAL CG1 C 23.9143200 . . 54 138 26 VAL CG2 C 24.2372200 . . 55 142 30 ALA HB H 0.5530279 . . 56 142 30 ALA CB C 19.8973100 . . 57 145 33 ILE HG2 H 0.5478448 . . 58 145 33 ILE HD1 H -0.0442266 . . 59 145 33 ILE CG2 C 14.9835000 . . 60 145 33 ILE CD1 C 13.2344300 . . 61 146 34 ALA HB H 0.5307367 . . 62 146 34 ALA CB C 21.4164200 . . 63 147 35 LEU HD1 H 0.6067462 . . 64 147 35 LEU HD2 H 0.6862704 . . 65 147 35 LEU CD1 C 23.6521200 . . 66 147 35 LEU CD2 C 25.0051600 . . 67 155 43 VAL HG1 H 0.7190432 . . 68 155 43 VAL HG2 H 1.1012570 . . 69 155 43 VAL CG1 C 19.8323900 . . 70 155 43 VAL CG2 C 22.3982400 . . 71 156 44 ALA HB H 1.5149540 . . 72 156 44 ALA CB C 19.1251900 . . 73 170 58 VAL HG1 H 0.7067266 . . 74 170 58 VAL HG2 H 0.8463544 . . 75 170 58 VAL CG1 C 18.9619100 . . 76 170 58 VAL CG2 C 20.8036500 . . 77 171 59 ILE HG2 H 0.0831962 . . 78 171 59 ILE HD1 H 0.7750227 . . 79 171 59 ILE CG2 C 17.3881000 . . 80 171 59 ILE CD1 C 14.7060100 . . 81 172 60 VAL HG1 H 0.7063641 . . 82 172 60 VAL HG2 H 0.7995847 . . 83 172 60 VAL CG1 C 20.9307300 . . 84 172 60 VAL CG2 C 21.4620800 . . 85 175 63 THR HG2 H 1.4399990 . . 86 175 63 THR CG2 C 21.1498500 . . 87 177 65 LEU HD1 H 0.6851638 . . 88 177 65 LEU HD2 H 0.7787449 . . 89 177 65 LEU CD1 C 22.8343500 . . 90 177 65 LEU CD2 C 24.6744000 . . 91 189 77 VAL HG1 H 0.7884376 . . 92 189 77 VAL HG2 H 0.9884352 . . 93 189 77 VAL CG1 C 20.8408400 . . 94 189 77 VAL CG2 C 21.1107000 . . 95 200 88 ILE HG2 H 0.6086874 . . 96 200 88 ILE HD1 H 0.6896991 . . 97 200 88 ILE CG2 C 17.0356300 . . 98 200 88 ILE CD1 C 13.8515800 . . 99 202 90 VAL HG1 H 0.7997027 . . 100 202 90 VAL HG2 H 1.0345520 . . 101 202 90 VAL CG1 C 19.6010400 . . 102 202 90 VAL CG2 C 21.6255600 . . 103 203 91 LEU HD1 H 0.8415453 . . 104 203 91 LEU HD2 H 0.8579964 . . 105 203 91 LEU CD1 C 22.9000000 . . 106 203 91 LEU CD2 C 25.9951100 . . 107 204 92 VAL HG1 H 0.3815074 . . 108 204 92 VAL HG2 H 1.0124100 . . 109 204 92 VAL CG1 C 20.9626800 . . 110 204 92 VAL CG2 C 20.0659000 . . 111 211 99 VAL HG1 H 0.4263661 . . 112 211 99 VAL HG2 H 0.7759149 . . 113 211 99 VAL CG1 C 20.7414300 . . 114 211 99 VAL CG2 C 21.0371500 . . 115 212 100 ALA HB H 1.2626850 . . 116 212 100 ALA CB C 21.8307400 . . 117 213 101 VAL HG1 H 0.2851770 . . 118 213 101 VAL HG2 H 0.6972991 . . 119 213 101 VAL CG1 C 20.1808500 . . 120 213 101 VAL CG2 C 22.9503300 . . 121 216 104 ALA HB H 1.3376640 . . 122 216 104 ALA CB C 20.6572300 . . 123 218 106 LEU HD1 H 0.8101370 . . 124 218 106 LEU HD2 H 0.8269951 . . 125 218 106 LEU CD1 C 21.8957900 . . 126 218 106 LEU CD2 C 26.1373500 . . 127 219 107 LEU HD1 H 0.9320894 . . 128 219 107 LEU HD2 H 0.9581139 . . 129 219 107 LEU CD1 C 24.3591700 . . 130 219 107 LEU CD2 C 8.1765930 . . 131 225 113 VAL HG1 H 0.8073706 . . 132 225 113 VAL HG2 H 0.9866185 . . 133 225 113 VAL CG1 C 20.4526600 . . 134 225 113 VAL CG2 C 21.4713300 . . 135 228 116 LEU HD1 H -0.2943037 . . 136 228 116 LEU HD2 H 0.2835348 . . 137 228 116 LEU CD1 C 19.5877300 . . 138 228 116 LEU CD2 C 23.8701800 . . 139 231 119 ILE HG2 H 1.0765180 . . 140 231 119 ILE HD1 H 0.8759871 . . 141 231 119 ILE CG2 C 18.8387400 . . 142 231 119 ILE CD1 C 14.6668700 . . 143 234 122 LEU HD1 H -0.3843426 . . 144 234 122 LEU HD2 H 0.5358739 . . 145 234 122 LEU CD1 C 21.6446200 . . 146 234 122 LEU CD2 C 26.3127700 . . 147 236 124 ILE HG2 H 0.8705270 . . 148 236 124 ILE HD1 H 0.8754726 . . 149 236 124 ILE CG2 C 18.2108800 . . 150 236 124 ILE CD1 C 15.5518100 . . 151 240 128 ILE HG2 H 0.7750466 . . 152 240 128 ILE HD1 H 0.6565255 . . 153 240 128 ILE CG2 C 19.3146700 . . 154 240 128 ILE CD1 C 13.7731800 . . 155 242 130 LEU HD1 H 0.4990223 . . 156 242 130 LEU HD2 H 0.8465013 . . 157 242 130 LEU CD1 C 27.0515100 . . 158 242 130 LEU CD2 C 26.4978000 . . 159 243 131 THR HG2 H 1.0755760 . . 160 243 131 THR CG2 C 21.7483100 . . 161 245 133 ALA HB H 1.1877540 . . 162 245 133 ALA CB C 21.3166100 . . 163 248 136 THR HG2 H 1.1283130 . . 164 248 136 THR CG2 C 19.1234500 . . 165 249 137 MET HE H 2.0475670 . . 166 249 137 MET CE C 15.9344600 . . 167 250 138 ILE HG2 H 0.8717911 . . 168 250 138 ILE HD1 H 0.8378210 . . 169 250 138 ILE CG2 C 19.1347800 . . 170 250 138 ILE CD1 C 14.5071200 . . 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 8.307562 . . 2 114 2 LEU N N 123.7746 . . 3 115 3 ILE H H 8.228554 . . 4 115 3 ILE N N 123.0520 . . 5 116 4 VAL H H 7.876591 . . 6 116 4 VAL N N 122.6716 . . 7 118 6 TYR H H 9.120239 . . 8 118 6 TYR N N 125.8980 . . 9 119 7 ASN H H 7.699856 . . 10 119 7 ASN N N 126.0312 . . 11 120 8 LEU H H 9.344487 . . 12 120 8 LEU N N 128.0489 . . 13 122 10 LEU H H 7.782965 . . 14 122 10 LEU N N 122.3782 . . 15 124 12 GLY H H 8.782723 . . 16 124 12 GLY N N 112.7792 . . 17 125 13 GLY H H 8.203973 . . 18 125 13 GLY N N 108.8851 . . 19 126 14 VAL H H 7.100236 . . 20 126 14 VAL N N 113.5414 . . 21 127 15 VAL H H 6.476530 . . 22 127 15 VAL N N 116.8101 . . 23 129 17 ARG H H 8.682987 . . 24 129 17 ARG N N 112.5521 . . 25 130 18 MET H H 7.818416 . . 26 130 18 MET N N 119.2175 . . 27 131 19 LEU H H 9.136769 . . 28 131 19 LEU N N 128.4996 . . 29 132 20 ILE H H 9.861630 . . 30 132 20 ILE N N 132.3371 . . 31 133 21 THR H H 9.062058 . . 32 133 21 THR N N 123.6197 . . 33 134 22 ILE H H 9.610220 . . 34 134 22 ILE N N 130.0856 . . 35 135 23 LEU H H 8.747069 . . 36 135 23 LEU N N 126.9181 . . 37 136 24 GLY H H 6.897615 . . 38 136 24 GLY N N 108.3792 . . 39 137 25 THR H H 8.906946 . . 40 137 25 THR N N 116.0157 . . 41 138 26 VAL H H 8.366960 . . 42 138 26 VAL N N 128.3015 . . 43 139 27 LYS H H 8.187949 . . 44 139 27 LYS N N 128.5889 . . 45 141 29 ASN H H 8.393960 . . 46 141 29 ASN N N 115.7820 . . 47 142 30 ALA H H 6.863322 . . 48 142 30 ALA N N 119.4950 . . 49 143 31 ASN H H 9.639693 . . 50 143 31 ASN N N 116.4301 . . 51 144 32 ARG H H 8.719977 . . 52 144 32 ARG N N 117.3284 . . 53 145 33 ILE H H 8.077967 . . 54 145 33 ILE N N 119.4186 . . 55 146 34 ALA H H 8.813067 . . 56 146 34 ALA N N 126.8484 . . 57 147 35 LEU H H 8.239541 . . 58 147 35 LEU N N 120.4893 . . 59 148 36 ASP H H 8.933248 . . 60 148 36 ASP N N 120.6150 . . 61 149 37 PHE H H 9.265524 . . 62 149 37 PHE N N 125.1641 . . 63 150 38 GLN H H 9.083369 . . 64 150 38 GLN N N 127.2618 . . 65 151 39 ARG H H 8.086584 . . 66 151 39 ARG N N 125.4202 . . 67 154 42 ASP H H 8.407485 . . 68 154 42 ASP N N 119.8954 . . 69 155 43 VAL H H 9.186804 . . 70 155 43 VAL N N 120.9292 . . 71 156 44 ALA H H 8.864773 . . 72 156 44 ALA N N 127.9467 . . 73 157 45 PHE H H 7.571927 . . 74 157 45 PHE N N 118.8417 . . 75 158 46 HIS H H 9.235535 . . 76 158 46 HIS N N 133.2991 . . 77 159 47 PHE H H 8.348385 . . 78 159 47 PHE N N 127.2146 . . 79 160 48 ASN H H 8.356014 . . 80 160 48 ASN N N 122.6612 . . 81 162 50 ARG H H 9.277765 . . 82 162 50 ARG N N 126.1223 . . 83 163 51 PHE H H 8.127681 . . 84 163 51 PHE N N 118.7766 . . 85 164 52 ASN H H 8.642433 . . 86 164 52 ASN N N 117.3395 . . 87 165 53 GLU H H 8.964149 . . 88 165 53 GLU N N 125.7926 . . 89 167 55 ASN H H 8.024040 . . 90 167 55 ASN N N 108.0740 . . 91 168 56 ARG H H 7.365090 . . 92 168 56 ARG N N 117.2812 . . 93 169 57 ARG H H 7.869831 . . 94 169 57 ARG N N 118.9006 . . 95 170 58 VAL H H 8.560123 . . 96 170 58 VAL N N 121.7718 . . 97 171 59 ILE H H 8.722225 . . 98 171 59 ILE N N 124.8606 . . 99 172 60 VAL H H 7.398144 . . 100 172 60 VAL N N 127.9525 . . 101 173 61 CYS H H 8.856404 . . 102 173 61 CYS N N 123.8683 . . 103 174 62 ASN H H 8.933842 . . 104 174 62 ASN N N 119.1642 . . 105 175 63 THR H H 10.05828 . . 106 175 63 THR N N 118.7159 . . 107 176 64 LYS H H 9.056894 . . 108 176 64 LYS N N 130.7233 . . 109 177 65 LEU H H 7.889021 . . 110 177 65 LEU N N 126.1227 . . 111 178 66 ASP H H 8.949312 . . 112 178 66 ASP N N 125.9571 . . 113 179 67 ASN H H 9.156248 . . 114 179 67 ASN N N 108.4311 . . 115 180 68 ASN H H 7.757282 . . 116 180 68 ASN N N 117.7391 . . 117 181 69 TRP H H 8.933081 . . 118 181 69 TRP N N 126.7781 . . 119 182 70 GLY H H 8.152203 . . 120 182 70 GLY N N 110.3041 . . 121 183 71 ARG H H 8.680947 . . 122 183 71 ARG N N 125.2284 . . 123 184 72 GLU H H 8.850592 . . 124 184 72 GLU N N 125.1451 . . 125 185 73 GLU H H 9.093716 . . 126 185 73 GLU N N 122.0750 . . 127 186 74 ARG H H 8.902717 . . 128 186 74 ARG N N 124.7239 . . 129 187 75 GLN H H 8.802191 . . 130 187 75 GLN N N 121.8398 . . 131 189 77 VAL H H 7.871091 . . 132 189 77 VAL N N 125.6095 . . 133 190 78 PHE H H 8.319757 . . 134 190 78 PHE N N 125.6549 . . 135 192 80 PHE H H 5.744863 . . 136 192 80 PHE N N 113.8549 . . 137 193 81 GLU H H 9.167797 . . 138 193 81 GLU N N 120.0284 . . 139 194 82 SER H H 9.025975 . . 140 194 82 SER N N 120.4957 . . 141 195 83 GLY H H 7.059672 . . 142 195 83 GLY N N 112.6507 . . 143 196 84 LYS H H 7.747820 . . 144 196 84 LYS N N 118.1379 . . 145 198 86 PHE H H 8.706011 . . 146 198 86 PHE N N 116.3593 . . 147 199 87 LYS H H 8.066938 . . 148 199 87 LYS N N 121.6401 . . 149 200 88 ILE H H 9.770574 . . 150 200 88 ILE N N 127.3541 . . 151 201 89 GLN H H 9.255402 . . 152 201 89 GLN N N 125.2100 . . 153 202 90 VAL H H 9.528304 . . 154 202 90 VAL N N 124.0570 . . 155 203 91 LEU H H 9.401597 . . 156 203 91 LEU N N 130.4873 . . 157 204 92 VAL H H 8.973301 . . 158 204 92 VAL N N 127.4265 . . 159 205 93 GLU H H 8.301845 . . 160 205 93 GLU N N 128.2074 . . 161 207 95 ASP H H 7.952145 . . 162 207 95 ASP N N 107.0978 . . 163 208 96 HIS H H 6.439036 . . 164 208 96 HIS N N 116.1239 . . 165 209 97 PHE H H 8.492320 . . 166 209 97 PHE N N 114.6506 . . 167 210 98 LYS H H 9.659213 . . 168 210 98 LYS N N 123.6279 . . 169 211 99 VAL H H 9.063473 . . 170 211 99 VAL N N 123.5166 . . 171 212 100 ALA H H 9.228656 . . 172 212 100 ALA N N 130.4545 . . 173 213 101 VAL H H 8.429233 . . 174 213 101 VAL N N 121.0034 . . 175 214 102 ASN H H 9.857730 . . 176 214 102 ASN N N 127.4145 . . 177 215 103 ASP H H 8.933260 . . 178 215 103 ASP N N 107.7982 . . 179 216 104 ALA H H 7.625574 . . 180 216 104 ALA N N 121.6334 . . 181 218 106 LEU H H 8.876576 . . 182 218 106 LEU N N 128.0802 . . 183 219 107 LEU H H 7.522030 . . 184 219 107 LEU N N 110.0805 . . 185 220 108 GLN H H 8.728843 . . 186 220 108 GLN N N 119.1418 . . 187 221 109 TYR H H 8.891903 . . 188 221 109 TYR N N 125.6594 . . 189 222 110 ASN H H 9.284094 . . 190 222 110 ASN N N 129.8328 . . 191 223 111 HIS H H 7.120874 . . 192 223 111 HIS N N 117.2094 . . 193 224 112 ARG H H 9.427008 . . 194 224 112 ARG N N 125.3539 . . 195 225 113 VAL H H 8.310804 . . 196 225 113 VAL N N 120.5211 . . 197 227 115 LYS H H 7.053514 . . 198 227 115 LYS N N 120.6623 . . 199 228 116 LEU H H 7.596242 . . 200 228 116 LEU N N 122.8953 . . 201 229 117 ASN H H 8.345516 . . 202 229 117 ASN N N 112.8553 . . 203 230 118 GLU H H 7.360061 . . 204 230 118 GLU N N 116.3919 . . 205 231 119 ILE H H 7.649812 . . 206 231 119 ILE N N 122.1692 . . 207 232 120 SER H H 7.654013 . . 208 232 120 SER N N 116.1463 . . 209 233 121 LYS H H 7.819101 . . 210 233 121 LYS N N 120.9098 . . 211 234 122 LEU H H 8.544538 . . 212 234 122 LEU N N 124.5378 . . 213 235 123 GLY H H 9.289716 . . 214 235 123 GLY N N 114.4119 . . 215 236 124 ILE H H 9.187121 . . 216 236 124 ILE N N 126.8144 . . 217 237 125 SER H H 9.124803 . . 218 237 125 SER N N 120.0277 . . 219 238 126 GLY H H 8.918703 . . 220 238 126 GLY N N 107.6323 . . 221 239 127 ASP H H 8.581624 . . 222 239 127 ASP N N 122.4200 . . 223 240 128 ILE H H 8.009195 . . 224 240 128 ILE N N 112.2192 . . 225 241 129 ASP H H 8.881957 . . 226 241 129 ASP N N 121.0337 . . 227 242 130 LEU H H 9.253250 . . 228 242 130 LEU N N 126.3666 . . 229 243 131 THR H H 8.994957 . . 230 243 131 THR N N 121.4434 . . 231 244 132 SER H H 7.732206 . . 232 244 132 SER N N 112.0140 . . 233 245 133 ALA H H 8.262674 . . 234 245 133 ALA N N 125.8328 . . 235 246 134 SER H H 8.530887 . . 236 246 134 SER N N 115.2376 . . 237 247 135 TYR H H 8.320823 . . 238 247 135 TYR N N 115.1894 . . 239 248 136 THR H H 8.840888 . . 240 248 136 THR N N 115.1250 . . 241 249 137 MET H H 8.080803 . . 242 249 137 MET N N 120.7715 . . 243 250 138 ILE H H 8.571333 . . 244 250 138 ILE N N 125.1950 . . 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 1.584124 0.048829 2 3 ILE N 1.633363 0.006573 3 4 VAL N 1.755716 0.011702 4 6 TYR N 2.038020 0.014964 5 7 ASN N 1.883584 0.018655 6 8 LEU N 1.933411 0.012646 7 10 LEU N 1.924082 0.013211 8 12 GLY N 1.784401 0.079625 9 13 GLY N 1.961059 0.012762 10 14 VAL N 1.776918 0.010110 11 15 VAL N 1.887817 0.008095 12 17 ARG N 1.954757 0.007827 13 18 MET N 1.978656 0.009850 14 19 LEU N 2.042689 0.010562 15 20 ILE N 2.009138 0.012130 16 21 THR N 1.956315 0.011508 17 22 ILE N 2.021675 0.012352 18 23 LEU N 2.020395 0.007549 19 24 GLY N 2.022751 0.009135 20 25 THR N 1.987397 0.007841 21 26 VAL N 2.031452 0.011443 22 27 LYS N 2.013084 0.007295 23 29 ASN N 1.819927 0.067537 24 30 ALA N 1.773196 0.006361 25 31 ASN N 1.922245 0.014718 26 32 ARG N 2.011431 0.007370 27 33 ILE N 1.981266 0.010389 28 34 ALA N 2.016944 0.009158 29 35 LEU N 1.972575 0.014137 30 36 ASP N 1.929132 0.008366 31 37 PHE N 1.887112 0.030703 32 38 GLN N 1.990004 0.015729 33 39 ARG N 1.911068 0.009812 34 42 ASP N 1.893432 0.008092 35 43 VAL N 1.931460 0.008256 36 44 ALA N 2.070042 0.018892 37 45 PHE N 2.056438 0.013005 38 46 HIS N 2.038736 0.017877 39 47 PHE N 2.016943 0.011962 40 48 ASN N 2.023921 0.009910 41 50 ARG N 2.030746 0.013928 42 51 PHE N 2.027599 0.012913 43 52 ASN N 1.966658 0.020801 44 53 GLU N 1.847819 0.007736 45 55 ASN N 1.947065 0.017367 46 56 ARG N 1.835824 0.005539 47 57 ARG N 1.856051 0.005575 48 58 VAL N 2.022820 0.005622 49 59 ILE N 2.009350 0.017867 50 60 VAL N 2.002433 0.008150 51 61 CYS N 1.976574 0.011003 52 62 ASN N 2.015025 0.010753 53 63 THR N 1.896553 0.012810 54 64 LYS N 2.024534 0.005292 55 65 LEU N 1.916839 0.013409 56 66 ASP N 1.959082 0.015800 57 67 ASN N 1.925590 0.004346 58 68 ASN N 1.798501 0.006069 59 69 TRP N 1.931431 0.028292 60 70 GLY N 1.916471 0.010545 61 71 ARG N 1.993766 0.031663 62 72 GLU N 1.886622 0.006276 63 73 GLU N 1.967877 0.009117 64 74 ARG N 1.842245 0.047832 65 75 GLN N 1.952266 0.008242 66 77 VAL N 1.801904 0.008775 67 78 PHE N 1.906278 0.015210 68 80 PHE N 1.509346 0.008145 69 81 GLU N 1.809086 0.013727 70 82 SER N 1.871187 0.046146 71 83 GLY N 1.936479 0.010713 72 84 LYS N 1.930290 0.007314 73 86 PHE N 1.994130 0.007191 74 87 LYS N 1.967448 0.009931 75 88 ILE N 1.959832 0.010672 76 89 GLN N 2.110795 0.031145 77 90 VAL N 1.924858 0.009708 78 91 LEU N 2.034193 0.013789 79 92 VAL N 2.033063 0.011825 80 93 GLU N 1.998317 0.012075 81 95 ASP N 2.043909 0.030687 82 96 HIS N 2.002347 0.010321 83 97 PHE N 1.968923 0.005961 84 98 LYS N 1.919098 0.012809 85 99 VAL N 1.959595 0.012445 86 100 ALA N 2.038796 0.009053 87 101 VAL N 1.972497 0.010766 88 102 ASN N 2.062734 0.007266 89 103 ASP N 1.928242 0.014268 90 104 ALA N 1.869683 0.006122 91 106 LEU N 1.920190 0.026329 92 107 LEU N 1.977002 0.019697 93 108 GLN N 1.992556 0.013226 94 109 TYR N 1.965418 0.013379 95 110 ASN N 1.949988 0.009110 96 111 HIS N 1.934617 0.017527 97 112 ARG N 1.942366 0.016093 98 113 VAL N 1.673628 0.013197 99 115 LYS N 1.755182 0.067233 100 116 LEU N 1.921699 0.009912 101 117 ASN N 1.991351 0.009807 102 118 GLU N 2.037063 0.011515 103 119 ILE N 1.981290 0.009667 104 120 SER N 1.772752 0.010057 105 121 LYS N 2.089835 0.007528 106 122 LEU N 1.964262 0.013379 107 123 GLY N 1.988753 0.011063 108 124 ILE N 1.999615 0.013635 109 125 SER N 2.098501 0.021353 110 126 GLY N 2.061548 0.021002 111 127 ASP N 1.958721 0.009808 112 128 ILE N 1.996368 0.015113 113 129 ASP N 2.024664 0.010038 114 130 LEU N 1.914138 0.013872 115 131 THR N 2.028787 0.008178 116 132 SER N 1.959144 0.006222 117 133 ALA N 1.972453 0.012051 118 134 SER N 1.948351 0.012111 119 135 TYR N 1.937430 0.010613 120 136 THR N 1.969266 0.012232 121 137 MET N 1.749941 0.012224 122 138 ILE N 1.904382 0.009428 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 1.651363 0.096385 2 3 ILE N 1.365269 0.007312 3 4 VAL N 1.463079 0.005228 4 6 TYR N 1.699097 0.009794 5 7 ASN N 1.636190 0.037251 6 8 LEU N 1.621362 0.010174 7 10 LEU N 1.576671 0.008760 8 12 GLY N 1.931903 0.169839 9 13 GLY N 1.680050 0.009618 10 14 VAL N 1.517046 0.010292 11 15 VAL N 1.574092 0.012049 12 17 ARG N 1.585102 0.009924 13 18 MET N 1.647654 0.006986 14 19 LEU N 1.692151 0.012295 15 20 ILE N 1.662308 0.008699 16 21 THR N 1.631631 0.008550 17 22 ILE N 1.676251 0.007064 18 23 LEU N 1.648335 0.008452 19 24 GLY N 1.679407 0.005721 20 25 THR N 1.656001 0.011336 21 26 VAL N 1.712289 0.009272 22 27 LYS N 1.679822 0.010462 23 29 ASN N 1.770049 0.043479 24 30 ALA N 1.547275 0.007820 25 31 ASN N 1.592005 0.013719 26 32 ARG N 1.702503 0.016600 27 33 ILE N 1.643437 0.008026 28 34 ALA N 1.688359 0.009173 29 35 LEU N 1.595755 0.010732 30 36 ASP N 1.581832 0.011778 31 37 PHE N 1.626456 0.007780 32 38 GLN N 1.636822 0.010335 33 39 ARG N 1.591357 0.008909 34 42 ASP N 1.643119 0.004265 35 43 VAL N 1.617062 0.009264 36 44 ALA N 1.661735 0.008478 37 45 PHE N 1.730354 0.005546 38 46 HIS N 1.729893 0.010984 39 47 PHE N 1.679405 0.014846 40 48 ASN N 1.668527 0.010498 41 50 ARG N 1.715087 0.014650 42 51 PHE N 1.691959 0.012008 43 52 ASN N 1.698687 0.026599 44 53 GLU N 1.630157 0.011539 45 55 ASN N 1.697168 0.018897 46 56 ARG N 1.587179 0.006157 47 57 ARG N 1.554717 0.009703 48 58 VAL N 1.691849 0.007063 49 59 ILE N 1.678561 0.007535 50 60 VAL N 1.678406 0.010792 51 61 CYS N 1.689103 0.015007 52 62 ASN N 1.688278 0.014734 53 63 THR N 1.585646 0.011444 54 64 LYS N 1.680840 0.009430 55 65 LEU N 1.594060 0.008859 56 66 ASP N 1.642784 0.007975 57 67 ASN N 1.653767 0.009587 58 68 ASN N 1.522564 0.007126 59 69 TRP N 1.683494 0.035960 60 70 GLY N 1.632258 0.012052 61 71 ARG N 1.705010 0.034114 62 72 GLU N 1.631453 0.011815 63 73 GLU N 1.654597 0.012011 64 74 ARG N 1.596528 0.065166 65 75 GLN N 1.637137 0.007539 66 77 VAL N 1.562603 0.008247 67 78 PHE N 1.682479 0.034287 68 80 PHE N 1.300318 0.009038 69 81 GLU N 1.563417 0.015367 70 82 SER N 1.633655 0.052311 71 83 GLY N 1.615025 0.007158 72 84 LYS N 1.700936 0.006366 73 86 PHE N 1.662418 0.006919 74 87 LYS N 1.646010 0.011253 75 88 ILE N 1.646440 0.007156 76 89 GLN N 1.625318 0.007705 77 90 VAL N 1.566448 0.013539 78 91 LEU N 1.665194 0.010668 79 92 VAL N 1.676006 0.010691 80 93 GLU N 1.645865 0.007781 81 95 ASP N 1.767142 0.035842 82 96 HIS N 1.708517 0.010724 83 97 PHE N 1.637532 0.010838 84 98 LYS N 1.606052 0.008399 85 99 VAL N 1.629617 0.006643 86 100 ALA N 1.689365 0.007896 87 101 VAL N 1.637614 0.010871 88 102 ASN N 1.748050 0.009640 89 103 ASP N 1.724243 0.009571 90 104 ALA N 1.584179 0.006481 91 106 LEU N 1.722832 0.034154 92 107 LEU N 1.646117 0.009478 93 108 GLN N 1.684219 0.009984 94 109 TYR N 1.617523 0.009280 95 110 ASN N 1.656476 0.007468 96 111 HIS N 1.646506 0.009964 97 112 ARG N 1.624874 0.013532 98 113 VAL N 1.455770 0.007707 99 115 LYS N 1.558521 0.046497 100 116 LEU N 1.644267 0.008845 101 117 ASN N 1.752528 0.011605 102 118 GLU N 1.734031 0.009554 103 119 ILE N 1.667687 0.010169 104 120 SER N 1.514644 0.010289 105 121 LYS N 1.761284 0.011467 106 122 LEU N 1.635097 0.005550 107 123 GLY N 1.652532 0.009138 108 124 ILE N 1.635753 0.017755 109 125 SER N 1.663080 0.005410 110 126 GLY N 1.642215 0.009016 111 127 ASP N 1.615084 0.007914 112 128 ILE N 1.652179 0.007395 113 129 ASP N 1.675067 0.010100 114 130 LEU N 1.595559 0.007363 115 131 THR N 1.714207 0.018927 116 132 SER N 1.628921 0.008332 117 133 ALA N 1.676308 0.008792 118 134 SER N 1.632088 0.009396 119 135 TYR N 1.681592 0.011304 120 136 THR N 1.652994 0.009876 121 137 MET N 1.541961 0.021091 122 138 ILE N 1.592189 0.008705 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 1.144833 0.036576 2 3 ILE N 0.989638 0.005764 3 4 VAL N 1.063753 0.006717 4 6 TYR N 1.195872 0.005506 5 7 ASN N 1.153283 0.027742 6 8 LEU N 1.124201 0.009861 7 10 LEU N 1.076577 0.007957 8 12 GLY N 1.138465 0.049189 9 13 GLY N 1.179167 0.006025 10 14 VAL N 1.067288 0.009655 11 15 VAL N 1.105565 0.006157 12 17 ARG N 1.113053 0.008035 13 18 MET N 1.173353 0.006508 14 19 LEU N 1.184538 0.008001 15 20 ILE N 1.158263 0.011151 16 21 THR N 1.112933 0.008066 17 22 ILE N 1.155057 0.008224 18 23 LEU N 1.147974 0.007435 19 24 GLY N 1.166341 0.008118 20 25 THR N 1.133339 0.007473 21 26 VAL N 1.195680 0.007229 22 27 LYS N 1.177522 0.007612 23 29 ASN N 1.089484 0.046004 24 30 ALA N 1.106927 0.005152 25 31 ASN N 1.100444 0.006675 26 32 ARG N 1.191053 0.012368 27 33 ILE N 1.113153 0.008328 28 34 ALA N 1.175178 0.011416 29 35 LEU N 1.092656 0.008542 30 36 ASP N 1.068797 0.009758 31 37 PHE N 1.139762 0.013444 32 38 GLN N 1.112814 0.009596 33 39 ARG N 1.102519 0.004611 34 42 ASP N 1.132420 0.006088 35 43 VAL N 1.096889 0.006977 36 44 ALA N 1.167671 0.006315 37 45 PHE N 1.194660 0.005125 38 46 HIS N 1.185812 0.009254 39 47 PHE N 1.149059 0.007428 40 48 ASN N 1.110590 0.012474 41 50 ARG N 1.171167 0.011410 42 51 PHE N 1.144232 0.004599 43 52 ASN N 1.202147 0.020284 44 53 GLU N 1.159523 0.010653 45 55 ASN N 1.201170 0.017296 46 56 ARG N 1.112601 0.006711 47 57 ARG N 1.085372 0.005474 48 58 VAL N 1.178599 0.007097 49 59 ILE N 1.174715 0.009466 50 60 VAL N 1.147564 0.009566 51 61 CYS N 1.135244 0.009302 52 62 ASN N 1.139253 0.009268 53 63 THR N 1.040878 0.005607 54 64 LYS N 1.153094 0.019319 55 65 LEU N 1.084481 0.011561 56 66 ASP N 1.102375 0.006517 57 67 ASN N 1.125248 0.004839 58 68 ASN N 1.060740 0.008735 59 69 TRP N 1.170810 0.028423 60 70 GLY N 1.096533 0.005526 61 71 ARG N 1.223058 0.031739 62 72 GLU N 1.148979 0.007873 63 73 GLU N 1.124765 0.005870 64 74 ARG N 1.090247 0.035811 65 75 GLN N 1.129552 0.006094 66 77 VAL N 1.141075 0.006169 67 78 PHE N 1.189981 0.030313 68 80 PHE N 0.920357 0.009031 69 81 GLU N 1.064601 0.011362 70 82 SER N 1.146484 0.037858 71 83 GLY N 1.117741 0.010366 72 84 LYS N 1.146686 0.003582 73 86 PHE N 1.171863 0.013147 74 87 LYS N 1.124223 0.006283 75 88 ILE N 1.134795 0.005972 76 89 GLN N 1.084377 0.003168 77 90 VAL N 1.090896 0.005573 78 91 LEU N 1.155833 0.007879 79 92 VAL N 1.142669 0.008800 80 93 GLU N 1.148558 0.010142 81 95 ASP N 1.245014 0.028484 82 96 HIS N 1.188944 0.007226 83 97 PHE N 1.115830 0.011897 84 98 LYS N 1.105275 0.009428 85 99 VAL N 1.123594 0.008587 86 100 ALA N 1.178313 0.004452 87 101 VAL N 1.111671 0.008394 88 102 ASN N 1.212151 0.009092 89 103 ASP N 1.190098 0.006890 90 104 ALA N 1.125948 0.010484 91 106 LEU N 1.178194 0.010823 92 107 LEU N 1.160708 0.006230 93 108 GLN N 1.157504 0.008733 94 109 TYR N 1.124870 0.006148 95 110 ASN N 1.136734 0.009816 96 111 HIS N 1.128997 0.008093 97 112 ARG N 1.103435 0.006794 98 113 VAL N 0.975367 0.008705 99 115 LYS N 1.046059 0.027717 100 116 LEU N 1.142837 0.008434 101 117 ASN N 1.245517 0.011081 102 118 GLU N 1.198943 0.008646 103 119 ILE N 1.124603 0.008020 104 120 SER N 1.054522 0.009232 105 121 LYS N 1.254912 0.004251 106 122 LEU N 1.139489 0.010734 107 123 GLY N 1.136800 0.008377 108 124 ILE N 1.121834 0.006751 109 125 SER N 1.190755 0.013003 110 126 GLY N 1.171890 0.006763 111 127 ASP N 1.095139 0.008124 112 128 ILE N 1.156637 0.005605 113 129 ASP N 1.152854 0.010058 114 130 LEU N 1.095964 0.003449 115 131 THR N 1.206470 0.012269 116 132 SER N 1.158725 0.006118 117 133 ALA N 1.170298 0.005802 118 134 SER N 1.130884 0.005828 119 135 TYR N 1.184971 0.008267 120 136 THR N 1.139215 0.013561 121 137 MET N 1.091232 0.016645 122 138 ILE N 1.139805 0.007380 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 8.513375 0.395967 . . 2 3 ILE N 7.496659 0.028879 . . 3 4 VAL N 8.057119 0.034059 . . 4 6 TYR N 8.983897 0.066227 . . 5 7 ASN N 8.776837 0.142744 . . 6 8 LEU N 8.783215 0.060229 . . 7 10 LEU N 8.705930 0.089489 . . 8 12 GLY N 10.87880 0.401278 . . 9 13 GLY N 9.102718 0.096527 . . 10 14 VAL N 8.292684 0.102750 . . 11 15 VAL N 9.506019 0.066376 . . 12 17 ARG N 9.338907 0.086336 . . 13 18 MET N 9.160916 0.070169 . . 14 19 LEU N 9.660568 0.067327 . . 15 20 ILE N 8.967683 0.062843 . . 16 21 THR N 10.28630 0.076171 . . 17 22 ILE N 8.871593 0.059751 . . 18 23 LEU N 9.000734 0.065634 . . 19 24 GLY N 8.833784 0.076388 . . 20 25 THR N 8.722899 0.075065 . . 21 26 VAL N 9.214942 0.075489 . . 22 27 LYS N 9.544596 0.096395 . . 23 29 ASN N 10.08682 0.225110 . . 24 30 ALA N 8.060718 0.088017 . . 25 31 ASN N 8.764050 0.072258 . . 26 32 ARG N 9.244218 0.095277 . . 27 33 ILE N 8.967511 0.139982 . . 28 34 ALA N 9.021921 0.077550 . . 29 35 LEU N 9.030062 0.075151 . . 30 36 ASP N 8.734856 0.087127 . . 31 37 PHE N 9.103216 0.057717 . . 32 38 GLN N 8.869576 0.061987 . . 33 39 ARG N 9.377427 0.097993 . . 34 42 ASP N 9.578142 0.105426 . . 35 43 VAL N 9.125494 0.063555 . . 36 44 ALA N 9.090128 0.165846 . . 37 45 PHE N 9.350216 0.051780 . . 38 46 HIS N 9.632663 0.102671 . . 39 47 PHE N 9.136777 0.058461 . . 40 48 ASN N 9.253436 0.071258 . . 41 50 ARG N 9.069077 0.062061 . . 42 51 PHE N 9.130674 0.122191 . . 43 52 ASN N 9.376538 0.098247 . . 44 53 GLU N 8.254569 0.105880 . . 45 55 ASN N 8.645903 0.141749 . . 46 56 ARG N 8.233052 0.080004 . . 47 57 ARG N 8.067473 0.051106 . . 48 58 VAL N 8.884955 0.076214 . . 49 59 ILE N 8.877423 0.084429 . . 50 60 VAL N 9.054754 0.049162 . . 51 61 CYS N 9.314957 0.132550 . . 52 62 ASN N 9.331746 0.084109 . . 53 63 THR N 9.070417 0.098791 . . 54 64 LYS N 9.580604 0.047171 . . 55 65 LEU N 9.138623 0.092343 . . 56 66 ASP N 9.175749 0.042346 . . 57 67 ASN N 9.480579 0.078137 . . 58 68 ASN N 8.837380 0.087203 . . 59 69 TRP N 9.462894 0.160811 . . 60 70 GLY N 8.958833 0.061101 . . 61 71 ARG N 10.36443 0.137328 . . 62 72 GLU N 9.108265 0.113503 . . 63 73 GLU N 8.961796 0.090744 . . 64 74 ARG N 9.744836 0.230527 . . 65 75 GLN N 9.073755 0.052644 . . 66 77 VAL N 10.82344 0.100340 . . 67 78 PHE N 9.720568 0.133125 . . 68 80 PHE N 7.045731 0.058879 . . 69 81 GLU N 8.859416 0.040511 . . 70 82 SER N 9.357601 0.106263 . . 71 83 GLY N 8.850821 0.108577 . . 72 84 LYS N 8.815230 0.049257 . . 73 86 PHE N 8.864713 0.081883 . . 74 87 LYS N 9.179457 0.087552 . . 75 88 ILE N 8.794108 0.075079 . . 76 89 GLN N 9.025109 0.087091 . . 77 90 VAL N 9.131649 0.086389 . . 78 91 LEU N 9.194951 0.096312 . . 79 92 VAL N 9.685679 0.085451 . . 80 93 GLU N 9.999338 0.087776 . . 81 95 ASP N 11.33543 0.156163 . . 82 96 HIS N 10.57190 0.133353 . . 83 97 PHE N 9.269583 0.106450 . . 84 98 LYS N 11.94801 0.094088 . . 85 99 VAL N 12.75397 0.174376 . . 86 100 ALA N 9.204841 0.055843 . . 87 101 VAL N 9.469906 0.028386 . . 88 102 ASN N 9.047359 0.109220 . . 89 103 ASP N 9.908326 0.079175 . . 90 104 ALA N 8.564924 0.089687 . . 91 106 LEU N 9.913869 0.105522 . . 92 107 LEU N 13.55516 0.156757 . . 93 108 GLN N 9.757372 0.079670 . . 94 109 TYR N 9.908709 0.080943 . . 95 110 ASN N 9.323466 0.134343 . . 96 111 HIS N 9.115966 0.112095 . . 97 112 ARG N 9.799480 0.175372 . . 98 113 VAL N 8.738111 0.059457 . . 99 115 LYS N 9.332254 0.168819 . . 100 116 LEU N 8.618466 0.097027 . . 101 117 ASN N 9.371569 0.088207 . . 102 118 GLU N 9.147082 0.099497 . . 103 119 ILE N 9.299617 0.073194 . . 104 120 SER N 7.982957 0.069141 . . 105 121 LYS N 9.592337 0.060633 . . 106 122 LEU N 8.988114 0.043708 . . 107 123 GLY N 9.180824 0.059873 . . 108 124 ILE N 9.044396 0.049807 . . 109 125 SER N 8.820421 0.106265 . . 110 126 GLY N 9.013207 0.133444 . . 111 127 ASP N 8.915206 0.055216 . . 112 128 ILE N 9.005569 0.062169 . . 113 129 ASP N 8.805394 0.076026 . . 114 130 LEU N 8.253579 0.049343 . . 115 131 THR N 9.401994 0.089416 . . 116 132 SER N 8.858084 0.050601 . . 117 133 ALA N 9.056852 0.057168 . . 118 134 SER N 8.886367 0.070072 . . 119 135 TYR N 8.816484 0.064091 . . 120 136 THR N 9.101239 0.081845 . . 121 137 MET N 8.292776 0.114082 . . 122 138 ILE N 8.467019 0.041732 . . 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 8.527647 0.266849 . . 2 3 ILE N 7.766568 0.037237 . . 3 4 VAL N 8.286930 0.018348 . . 4 6 TYR N 9.429769 0.078131 . . 5 7 ASN N 9.258841 0.066513 . . 6 8 LEU N 9.199530 0.041057 . . 7 10 LEU N 9.032121 0.038911 . . 8 12 GLY N 13.282580 0.825577 . . 9 13 GLY N 9.492797 0.076544 . . 10 14 VAL N 8.924153 0.040857 . . 11 15 VAL N 10.206350 0.046659 . . 12 17 ARG N 9.532848 0.044243 . . 13 18 MET N 9.703723 0.045405 . . 14 19 LEU N 10.095890 0.036128 . . 15 20 ILE N 9.392901 0.059658 . . 16 21 THR N 10.219060 0.129256 . . 17 22 ILE N 9.266694 0.019156 . . 18 23 LEU N 9.350438 0.043028 . . 19 24 GLY N 9.241561 0.062049 . . 20 25 THR N 9.130312 0.043874 . . 21 26 VAL N 9.529773 0.058666 . . 22 27 LYS N 9.930109 0.086277 . . 23 29 ASN N 10.789550 0.164301 . . 24 30 ALA N 8.555573 0.080216 . . 25 31 ASN N 9.083932 0.069732 . . 26 32 ARG N 9.703715 0.058993 . . 27 33 ILE N 9.240603 0.063172 . . 28 34 ALA N 9.361746 0.093719 . . 29 35 LEU N 9.193095 0.053560 . . 30 36 ASP N 9.019521 0.049122 . . 31 37 PHE N 9.197171 0.117869 . . 32 38 GLN N 9.224224 0.052825 . . 33 39 ARG N 9.675969 0.039320 . . 34 42 ASP N 9.835690 0.085662 . . 35 43 VAL N 9.617966 0.082119 . . 36 44 ALA N 9.166137 0.238436 . . 37 45 PHE N 9.747959 0.039059 . . 38 46 HIS N 9.877041 0.042918 . . 39 47 PHE N 9.350190 0.092719 . . 40 48 ASN N 9.593965 0.038673 . . 41 50 ARG N 9.332965 0.167537 . . 42 51 PHE N 9.324316 0.110393 . . 43 52 ASN N 9.788279 0.088058 . . 44 53 GLU N 8.357848 0.251271 . . 45 55 ASN N 8.888781 0.077390 . . 46 56 ARG N 8.801406 0.049436 . . 47 57 ARG N 8.432772 0.066183 . . 48 58 VAL N 9.290651 0.043591 . . 49 59 ILE N 9.211965 0.045230 . . 50 60 VAL N 9.421028 0.051356 . . 51 61 CYS N 9.606477 0.091080 . . 52 62 ASN N 9.705845 0.034069 . . 53 63 THR N 9.434130 0.065396 . . 54 64 LYS N 9.749898 0.040638 . . 55 65 LEU N 9.540604 0.048094 . . 56 66 ASP N 9.917169 0.296364 . . 57 67 ASN N 10.057770 0.070455 . . 58 68 ASN N 9.149207 0.096145 . . 59 69 TRP N 9.969916 0.078469 . . 60 70 GLY N 9.409369 0.070143 . . 61 71 ARG N 10.887850 0.085220 . . 62 72 GLU N 9.381086 0.107089 . . 63 73 GLU N 9.291527 0.099618 . . 64 74 ARG N 9.531590 0.261611 . . 65 75 GLN N 9.347991 0.035551 . . 66 77 VAL N 11.945100 0.126501 . . 67 78 PHE N 9.929459 0.133591 . . 68 80 PHE N 7.532959 0.051672 . . 69 81 GLU N 9.283938 0.079492 . . 70 82 SER N 9.564231 0.144400 . . 71 83 GLY N 9.237022 0.082651 . . 72 84 LYS N 9.841969 0.058967 . . 73 86 PHE N 9.123880 0.052972 . . 74 87 LYS N 9.499049 0.034592 . . 75 88 ILE N 9.047376 0.048091 . . 76 89 GLN N 9.082242 0.155472 . . 77 90 VAL N 9.704990 0.046831 . . 78 91 LEU N 9.721199 0.054317 . . 79 92 VAL N 10.543610 0.066121 . . 80 93 GLU N 10.599130 0.094500 . . 81 95 ASP N 13.485620 0.127425 . . 82 96 HIS N 11.913240 0.043094 . . 83 97 PHE N 9.691177 0.074296 . . 84 98 LYS N 14.740780 0.057461 . . 85 99 VAL N 11.774350 0.276678 . . 86 100 ALA N 9.651610 0.057106 . . 87 101 VAL N 10.163870 0.020145 . . 88 102 ASN N 9.641780 0.076645 . . 89 103 ASP N 10.971660 0.099670 . . 90 104 ALA N 8.870483 0.040056 . . 91 106 LEU N 11.623490 0.514700 . . 92 107 LEU N 15.330650 0.105537 . . 93 108 GLN N 10.366880 0.035851 . . 94 109 TYR N 10.550340 0.129062 . . 95 110 ASN N 9.867287 0.052973 . . 96 111 HIS N 9.413347 0.053685 . . 97 112 ARG N 9.944203 0.042598 . . 98 113 VAL N 8.859100 0.047967 . . 99 115 LYS N 9.328547 0.260216 . . 100 116 LEU N 9.241366 0.045092 . . 101 117 ASN N 9.824480 0.081283 . . 102 118 GLU N 9.369401 0.068754 . . 103 119 ILE N 9.716465 0.048258 . . 104 120 SER N 8.317875 0.035446 . . 105 121 LYS N 10.136710 0.057314 . . 106 122 LEU N 9.189094 0.062638 . . 107 123 GLY N 9.459138 0.046434 . . 108 124 ILE N 9.336473 0.093735 . . 109 125 SER N 9.074358 0.072214 . . 110 126 GLY N 9.019000 0.267962 . . 111 127 ASP N 9.227295 0.033055 . . 112 128 ILE N 9.375055 0.038309 . . 113 129 ASP N 9.136476 0.075552 . . 114 130 LEU N 8.768463 0.084108 . . 115 131 THR N 9.782717 0.070831 . . 116 132 SER N 9.206681 0.073841 . . 117 133 ALA N 9.372960 0.046204 . . 118 134 SER N 9.241793 0.046679 . . 119 135 TYR N 9.327257 0.044700 . . 120 136 THR N 9.441183 0.028364 . . 121 137 MET N 8.669823 0.067738 . . 122 138 ILE N 8.789199 0.044987 . . 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 8.462315 0.105752 . . 2 3 ILE N 8.837654 0.028740 . . 3 4 VAL N 9.461977 0.032674 . . 4 6 TYR N 10.395860 0.082808 . . 5 7 ASN N 9.952655 0.077672 . . 6 8 LEU N 10.195120 0.283363 . . 7 10 LEU N 9.832712 0.020296 . . 8 12 GLY N 11.723720 0.358654 . . 9 13 GLY N 11.133170 0.083682 . . 10 14 VAL N 10.358200 0.153045 . . 11 15 VAL N 11.753450 0.054451 . . 12 17 ARG N 10.349780 0.052071 . . 13 18 MET N 11.131060 0.039627 . . 14 19 LEU N 11.603620 0.568247 . . 15 20 ILE N 10.507770 0.061742 . . 16 21 THR N 11.807610 0.723779 . . 17 22 ILE N 11.135250 1.026658 . . 18 23 LEU N 10.300670 0.038897 . . 19 24 GLY N 10.598780 0.122138 . . 20 25 THR N 10.116010 0.115229 . . 21 26 VAL N 10.749060 0.476708 . . 22 27 LYS N 11.912730 0.587164 . . 23 29 ASN N 11.225040 0.302574 . . 24 30 ALA N 9.987627 0.113851 . . 25 31 ASN N 9.847358 0.091820 . . 26 32 ARG N 10.858270 0.141555 . . 27 33 ILE N 10.266520 0.170040 . . 28 34 ALA N 10.405200 0.045473 . . 29 35 LEU N 10.293920 0.165346 . . 30 36 ASP N 9.842769 0.106997 . . 31 37 PHE N 10.193720 0.042474 . . 32 38 GLN N 10.057930 0.037197 . . 33 39 ARG N 10.447680 0.108158 . . 34 42 ASP N 11.390750 0.217652 . . 35 43 VAL N 10.362810 0.142777 . . 36 44 ALA N 10.750340 0.026411 . . 37 45 PHE N 10.805780 0.157052 . . 38 46 HIS N 11.781050 0.952433 . . 39 47 PHE N 10.154540 0.047845 . . 40 48 ASN N 10.459650 0.089735 . . 41 50 ARG N 9.847878 0.084012 . . 42 51 PHE N 10.400110 0.174421 . . 43 52 ASN N 10.870730 0.139004 . . 44 53 GLU N 9.526408 0.281305 . . 45 55 ASN N 10.040000 0.122850 . . 46 56 ARG N 9.737235 0.144060 . . 47 57 ARG N 9.427686 0.181722 . . 48 58 VAL N 10.686890 0.104966 . . 49 59 ILE N 10.149710 0.142423 . . 50 60 VAL N 10.432630 0.218790 . . 51 61 CYS N 10.771630 0.118990 . . 52 62 ASN N 10.824910 0.068980 . . 53 63 THR N 10.011640 0.296468 . . 54 64 LYS N 11.779460 0.370108 . . 55 65 LEU N 10.337960 0.168140 . . 56 66 ASP N 10.023750 0.510565 . . 57 67 ASN N 11.924720 0.041612 . . 58 68 ASN N 10.691770 0.065997 . . 59 69 TRP N 10.595740 0.131548 . . 60 70 GLY N 10.864600 0.480982 . . 61 71 ARG N 11.872580 0.265305 . . 62 72 GLU N 10.568830 0.113901 . . 63 73 GLU N 10.243320 0.122420 . . 64 74 ARG N 10.448830 0.141458 . . 65 75 GLN N 10.296620 0.094316 . . 66 77 VAL N 14.075670 0.068905 . . 67 78 PHE N 10.624190 0.131429 . . 68 80 PHE N 8.278891 0.207316 . . 69 81 GLU N 10.358550 0.161646 . . 70 82 SER N 10.575670 0.048974 . . 71 83 GLY N 10.260790 0.085587 . . 72 84 LYS N 10.509700 0.210051 . . 73 86 PHE N 10.423760 0.046003 . . 74 87 LYS N 10.450630 0.186345 . . 75 88 ILE N 10.159610 0.071854 . . 76 89 GLN N 9.941290 0.924509 . . 77 90 VAL N 11.081040 0.100546 . . 78 91 LEU N 12.060310 0.745733 . . 79 92 VAL N 12.050100 0.222770 . . 80 93 GLU N 12.765310 0.510034 . . 81 95 ASP N 17.173600 0.590575 . . 82 96 HIS N 14.719310 0.186562 . . 83 97 PHE N 10.618250 0.196802 . . 84 98 LYS N 19.305650 0.184049 . . 85 99 VAL N 18.717960 2.571728 . . 86 100 ALA N 11.952430 0.793126 . . 87 101 VAL N 11.294240 0.051492 . . 88 102 ASN N 10.815990 0.098776 . . 89 103 ASP N 11.397030 0.660032 . . 90 104 ALA N 10.311150 0.142732 . . 91 106 LEU N 11.782840 0.900396 . . 92 107 LEU N 17.958810 0.406352 . . 93 108 GLN N 11.846270 0.267863 . . 94 109 TYR N 12.225440 0.123192 . . 95 110 ASN N 12.033230 1.290572 . . 96 111 HIS N 10.480000 0.165684 . . 97 112 ARG N 10.469870 0.152109 . . 98 113 VAL N 9.528065 0.233613 . . 99 115 LYS N 10.322920 0.129120 . . 100 116 LEU N 10.030990 0.063552 . . 101 117 ASN N 10.983280 0.093772 . . 102 118 GLU N 10.497060 0.051377 . . 103 119 ILE N 10.720570 0.053801 . . 104 120 SER N 9.061710 0.099961 . . 105 121 LYS N 11.718490 0.090383 . . 106 122 LEU N 10.437850 0.079014 . . 107 123 GLY N 10.399440 0.025073 . . 108 124 ILE N 9.985651 0.062236 . . 109 125 SER N 10.571760 0.062629 . . 110 126 GLY N 11.722990 0.952400 . . 111 127 ASP N 10.178400 0.136355 . . 112 128 ILE N 10.267520 0.080408 . . 113 129 ASP N 10.122260 0.174525 . . 114 130 LEU N 9.188962 0.314381 . . 115 131 THR N 11.137450 0.196959 . . 116 132 SER N 10.417990 0.352048 . . 117 133 ALA N 10.227890 0.113390 . . 118 134 SER N 10.210440 0.047909 . . 119 135 TYR N 10.343400 0.034398 . . 120 136 THR N 10.416370 0.056916 . . 121 137 MET N 9.604829 0.241217 . . 122 138 ILE N 9.707159 0.237025 . . 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 0.388457 0.204279 3 ILE 0.686136 0.029093 4 VAL 0.704841 0.035199 6 TYR 0.770775 0.041405 7 ASN 0.858809 0.048435 8 LEU 0.805878 0.039790 10 LEU 0.863788 0.040821 12 GLY 0.872808 0.225647 13 GLY 0.791084 0.033679 14 VAL 0.731170 0.033597 15 VAL 0.826691 0.041070 17 ARG 0.810410 0.042168 18 MET 0.793267 0.031888 19 LEU 0.805226 0.044934 20 ILE 0.834257 0.043429 21 THR 0.821597 0.037990 22 ILE 0.837499 0.039960 23 LEU 0.936462 0.048384 24 GLY 0.839611 0.030184 25 THR 0.861068 0.040789 26 VAL 0.910714 0.041082 27 LYS 0.900663 0.044223 29 ASN 0.807673 0.156397 30 ALA 0.756016 0.023303 31 ASN 0.816111 0.047599 32 ARG 0.864591 0.041625 33 ILE 0.751593 0.038017 34 ALA 0.874023 0.038374 35 LEU 0.949766 0.050747 36 ASP 0.904038 0.042900 37 PHE 0.762970 0.263396 38 GLN 0.867380 0.044015 39 ARG 0.825427 0.045714 42 ASP 0.881354 0.036459 43 VAL 0.844097 0.044192 44 ALA 0.867272 0.028862 45 PHE 0.789427 0.032359 46 HIS 0.862512 0.053301 47 PHE 0.831908 0.042082 48 ASN 0.905485 0.047925 50 ARG 0.788269 0.040556 51 PHE 0.836079 0.047865 52 ASN 0.849190 0.038222 53 GLU 0.790656 0.023102 55 ASN 0.820686 0.036528 56 ARG 0.768958 0.029191 57 ARG 0.798319 0.035372 58 VAL 0.808383 0.033137 59 ILE 0.819445 0.040255 60 VAL 0.778991 0.038718 61 CYS 0.940343 0.054683 62 ASN 0.826375 0.034634 63 THR 0.848193 0.041941 64 LYS 0.906556 0.051364 65 LEU 0.855418 0.038804 66 ASP 0.794356 0.032896 67 ASN 0.825446 0.036195 68 ASN 0.809269 0.028299 69 TRP 0.945977 0.050702 70 GLY 0.822020 0.039854 71 ARG 0.934017 0.048351 72 GLU 0.800861 0.032440 73 GLU 0.757875 0.037945 74 ARG 0.854623 0.096502 75 GLN 0.834188 0.042104 77 VAL 0.874388 0.037719 78 PHE 0.994433 0.067364 80 PHE 0.779727 0.028129 81 GLU 0.876677 0.041269 82 SER 0.909709 0.069710 83 GLY 0.782292 0.040519 84 LYS 0.818222 0.033338 86 PHE 0.830524 0.035185 87 LYS 0.862846 0.045147 88 ILE 0.854864 0.038457 89 GLN 0.853109 0.020994 90 VAL 0.891745 0.044928 91 LEU 0.921900 0.050323 92 VAL 0.879039 0.047526 93 GLU 0.947979 0.047293 95 ASP 0.885560 0.064867 96 HIS 0.800530 0.035050 97 PHE 0.846052 0.047653 98 LYS 0.897980 0.044970 99 VAL 0.854829 0.030892 100 ALA 0.874300 0.042024 101 VAL 0.788596 0.037455 102 ASN 0.811675 0.037402 103 ASP 0.799061 0.024283 104 ALA 0.844638 0.029328 106 LEU 0.768321 0.039543 107 LEU 0.796861 0.043455 108 GLN 0.795074 0.039523 109 TYR 0.781302 0.038427 110 ASN 0.745773 0.030880 111 HIS 0.834577 0.033592 112 ARG 0.889332 0.062166 113 VAL 0.897239 0.056549 115 LYS 0.759856 0.070408 116 LEU 0.883469 0.039250 117 ASN 0.833799 0.028993 118 GLU 0.847053 0.037864 119 ILE 0.830258 0.036520 120 SER 0.728328 0.037955 121 LYS 0.857096 0.032397 122 LEU 0.777806 0.039355 123 GLY 0.840586 0.044155 124 ILE 0.841258 0.047605 125 SER 0.917196 0.039326 126 GLY 0.873170 0.042768 127 ASP 0.894368 0.038496 128 ILE 0.803548 0.036598 129 ASP 0.844512 0.047073 130 LEU 0.868806 0.040833 131 THR 0.905339 0.058543 132 SER 0.805697 0.032090 133 ALA 0.876272 0.036278 134 SER 0.837904 0.031538 135 TYR 0.847393 0.032513 136 THR 0.836489 0.036169 137 MET 0.822310 0.037024 138 ILE 0.843149 0.038870 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 0.372629 0.103038 3 ILE 0.674677 0.012392 4 VAL 0.666431 0.015965 6 TYR 0.781778 0.020660 7 ASN 0.764018 0.021266 8 LEU 0.807268 0.018406 10 LEU 0.791521 0.019453 12 GLY 0.787056 0.216194 13 GLY 0.785857 0.015018 14 VAL 0.733496 0.016538 15 VAL 0.786390 0.018975 17 ARG 0.783647 0.019713 18 MET 0.791466 0.015789 19 LEU 0.802981 0.021398 20 ILE 0.805244 0.020492 21 THR 0.811475 0.017269 22 ILE 0.804395 0.018572 23 LEU 0.824627 0.019612 24 GLY 0.790363 0.012761 25 THR 0.776159 0.016867 26 VAL 0.772487 0.018377 27 LYS 0.773081 0.018256 29 ASN 0.785797 0.104977 30 ALA 0.701712 0.009725 31 ASN 0.783934 0.024260 32 ARG 0.772996 0.018712 33 ILE 0.783266 0.020068 34 ALA 0.785243 0.016491 35 LEU 0.811912 0.023181 36 ASP 0.816184 0.018774 37 PHE 0.812007 0.010812 38 GLN 0.791365 0.019189 39 ARG 0.822126 0.021298 42 ASP 0.785246 0.016121 43 VAL 0.766393 0.020358 44 ALA 0.825990 0.015787 45 PHE 0.800390 0.016164 46 HIS 0.815682 0.023929 47 PHE 0.802670 0.020252 48 ASN 0.810961 0.021692 50 ARG 0.779603 0.023020 51 PHE 0.768177 0.023448 52 ASN 0.773567 0.016590 53 GLU 0.735406 0.015586 55 ASN 0.769266 0.015854 56 ARG 0.800903 0.015835 57 ARG 0.737005 0.016207 58 VAL 0.789742 0.016183 59 ILE 0.779365 0.018749 60 VAL 0.757926 0.017757 61 CYS 0.803951 0.022591 62 ASN 0.807903 0.016538 63 THR 0.778878 0.020055 64 LYS 0.816056 0.020954 65 LEU 0.783188 0.018450 66 ASP 0.818603 0.016925 67 ASN 0.812567 0.016811 68 ASN 0.789296 0.014352 69 TRP 0.784115 0.020736 70 GLY 0.795652 0.018313 71 ARG 0.787218 0.021842 72 GLU 0.784049 0.015635 73 GLU 0.810342 0.020399 74 ARG 0.757924 0.055388 75 GLN 0.767084 0.018499 77 VAL 0.775490 0.018051 78 PHE 0.789842 0.028844 80 PHE 0.737695 0.012792 81 GLU 0.765365 0.017266 82 SER 0.760555 0.032170 83 GLY 0.769392 0.019059 84 LYS 1.023099 0.026452 86 PHE 0.800714 0.016135 87 LYS 0.800691 0.020869 88 ILE 0.807243 0.018722 89 GLN 0.808517 0.024383 90 VAL 0.804489 0.020599 91 LEU 0.774690 0.021684 92 VAL 0.809431 0.021284 93 GLU 0.816954 0.021198 95 ASP 0.774435 0.037319 96 HIS 0.789217 0.019782 97 PHE 0.801384 0.022750 98 LYS 0.817029 0.022100 99 VAL 0.798283 0.020454 100 ALA 0.811292 0.017592 101 VAL 0.794885 0.019042 102 ASN 0.808250 0.020540 103 ASP 0.783684 0.016084 104 ALA 0.810387 0.013007 106 LEU 0.763897 0.026960 107 LEU 0.847094 0.026779 108 GLN 0.791543 0.018039 109 TYR 0.814603 0.021061 110 ASN 0.799618 0.014302 111 HIS 0.801301 0.015184 112 ARG 0.817378 0.032473 113 VAL 0.729590 0.020963 115 LYS 0.729164 0.046297 116 LEU 0.765717 0.016639 117 ASN 0.790786 0.013626 118 GLU 0.800449 0.017891 119 ILE 0.795224 0.018023 120 SER 0.696349 0.017040 121 LYS 0.769184 0.014010 122 LEU 0.789467 0.021443 123 GLY 0.773991 0.019924 124 ILE 0.798737 0.022047 125 SER 0.834100 0.015920 126 GLY 0.817754 0.019686 127 ASP 0.788128 0.017066 128 ILE 0.800375 0.019344 129 ASP 0.803901 0.019544 130 LEU 0.779009 0.018667 131 THR 0.773703 0.024578 132 SER 0.799795 0.014928 133 ALA 0.796506 0.016056 134 SER 0.799361 0.014288 135 TYR 0.799886 0.014474 136 THR 0.803665 0.015717 137 MET 0.749023 0.016965 138 ILE 0.778819 0.017334 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 0.471487 0.026917 3 ILE 0.703677 0.006303 4 VAL 0.739053 0.007599 6 TYR 0.836641 0.008874 7 ASN 0.838929 0.009685 8 LEU 0.809082 0.008553 10 LEU 0.822801 0.008273 12 GLY 0.816034 0.040523 13 GLY 0.843837 0.007810 14 VAL 0.786303 0.007072 15 VAL 0.820393 0.008636 17 ARG 0.825561 0.009248 18 MET 0.849491 0.007794 19 LEU 0.853806 0.009921 20 ILE 0.854918 0.009172 21 THR 0.844654 0.007029 22 ILE 0.863522 0.008498 23 LEU 0.855124 0.008354 24 GLY 0.859379 0.007201 25 THR 0.847937 0.008422 26 VAL 0.841279 0.008877 27 LYS 0.845222 0.008876 29 ASN 0.795517 0.025730 30 ALA 0.748350 0.005747 31 ASN 0.834264 0.010644 32 ARG 0.858620 0.009253 33 ILE 0.844637 0.008815 34 ALA 0.833066 0.007951 35 LEU 0.846830 0.009903 36 ASP 0.833144 0.008097 37 PHE 0.858304 0.005172 38 GLN 0.832192 0.008597 39 ARG 0.830337 0.009119 42 ASP 0.849832 0.007381 43 VAL 0.845382 0.009646 44 ALA 0.846456 0.006430 45 PHE 0.845275 0.007666 46 HIS 0.865503 0.011263 47 PHE 0.847264 0.008664 48 ASN 0.853206 0.009514 50 ARG 0.847680 0.009206 51 PHE 0.842119 0.010149 52 ASN 0.850826 0.008254 53 GLU 0.797830 0.006673 55 ASN 0.819314 0.008017 56 ARG 0.791270 0.006316 57 ARG 0.805325 0.007873 58 VAL 0.836503 0.007564 59 ILE 0.842243 0.008552 60 VAL 0.851638 0.008646 61 CYS 0.846545 0.010487 62 ASN 0.848632 0.007947 63 THR 0.832747 0.009196 64 LYS 0.839090 0.009930 65 LEU 0.853220 0.008535 66 ASP 0.829028 0.006684 67 ASN 0.842643 0.008586 68 ASN 0.819334 0.006513 69 TRP 0.855761 0.009103 70 GLY 0.845322 0.008451 71 ARG 0.855386 0.009431 72 GLU 0.835226 0.007566 73 GLU 0.838013 0.008824 74 ARG 0.860450 0.017292 75 GLN 0.820390 0.008582 77 VAL 0.831096 0.008910 78 PHE 0.829185 0.010237 80 PHE 0.805785 0.009195 81 GLU 0.827198 0.008468 82 SER 0.777329 0.011244 83 GLY 0.803925 0.008616 84 LYS 0.841877 0.007573 86 PHE 0.826557 0.007517 87 LYS 0.838191 0.008695 88 ILE 0.847839 0.008485 89 GLN 0.844230 0.004847 90 VAL 0.829017 0.008918 91 LEU 0.840503 0.011331 92 VAL 0.870298 0.010749 93 GLU 0.849135 0.009531 95 ASP 0.876425 0.017992 96 HIS 0.890725 0.011766 97 PHE 0.841436 0.009587 98 LYS 0.832375 0.009975 99 VAL 0.840013 0.008009 100 ALA 0.860713 0.008404 101 VAL 0.827466 0.008665 102 ASN 0.865078 0.009026 103 ASP 0.856580 0.007552 104 ALA 0.845805 0.006604 106 LEU 0.866275 0.009782 107 LEU 0.852090 0.011643 108 GLN 0.845339 0.008866 109 TYR 0.851545 0.009015 110 ASN 0.856406 0.008050 111 HIS 0.853481 0.007905 112 ARG 0.835720 0.012628 113 VAL 0.772204 0.009483 115 LYS 0.742354 0.013874 116 LEU 0.809516 0.008147 117 ASN 0.840893 0.006751 118 GLU 0.846564 0.008147 119 ILE 0.853421 0.008526 120 SER 0.734986 0.007783 121 LYS 0.815600 0.006766 122 LEU 0.853719 0.009145 123 GLY 0.852271 0.009633 124 ILE 0.850703 0.009717 125 SER 0.854697 0.007957 126 GLY 0.844657 0.007744 127 ASP 0.851537 0.008010 128 ILE 0.856554 0.008867 129 ASP 0.842335 0.009069 130 LEU 0.818176 0.008275 131 THR 0.844322 0.010994 132 SER 0.844200 0.007563 133 ALA 0.836086 0.007387 134 SER 0.879032 0.007346 135 TYR 0.864862 0.007503 136 THR 0.856634 0.007586 137 MET 0.786966 0.007265 138 ILE 0.790603 0.007484 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 . 0.69657692088774 0.00121277320772954 . . . . . . . . . . . . 4 VAL N . 0.751489429744916 0.00113816423819609 . . . . . . . . . . . . 6 TYR N . 0.867745871013808 0.00253701285316762 . . . . . . . . . . . . 7 ASN N . 0.822587998167417 0.00357885888844483 . . . . . . . . . . . . 8 LEU N . 0.829148668199867 0.00357071988220986 . . . . . . . . . . . . 10 LEU N . 0.795431082219833 0.00141837285868013 . . . . . . . . . . . . 13 GLY N . 0.861912964677743 0.00310655632947859 . . . . . . . . . . . . 14 VAL N . 0.76423649424122 0.00308237059505449 . . . . . . . . . . . . 15 VAL N . 0.80960922038048 0.00252826445660884 . . . . . . . . . . . . 17 ARG N . 0.837504335484777 0.00208222991750684 . . . . . . . . . . . . 18 MET N . 0.854553556541607 0.00224744339981513 . . . . . . . . . . . . 19 LEU N . 0.881336130530629 0.0030157083241426 . . . . . . . . . . . . 20 ILE N . 0.858483666319983 0.00219053170342488 . . . . . . . . . . . . 21 THR N . 0.840605021321604 0.00305092564527678 . . . . . . . . . . . . 22 ILE N . 0.862342652234476 0.0014214759394706 . . . . . . . . . . . . 23 LEU N . 0.847258760737071 0.00158107717952224 . . . . . . . . . . . . 24 GLY N . 0.864434647871382 0.00192187565016003 . . . . . . . . . . . . 25 THR N . 0.840581637114105 0.00206516424063784 . . . . . . . . . . . . 26 VAL N . 0.87242282457349 0.00318475466282734 . . . . . . . . . . . . 27 LYS N . 0.852016519763338 0.00260000888038912 . . . . . . . . . . . . 30 ALA N . 0.763949847559858 0.00196321417885055 . . . . . . . . . . . . 31 ASN N . 0.819322990505833 0.00283191173274832 . . . . . . . . . . . . 32 ARG N . 0.851227314982191 0.00278437005307049 . . . . . . . . . . . . 33 ILE N . 0.838492252884123 0.0029812672511679 . . . . . . . . . . . . 34 ALA N . 0.85043859916976 0.00211987568387849 . . . . . . . . . . . . 35 LEU N . 0.826418760164959 0.0033217539034722 . . . . . . . . . . . . 36 ASP N . 0.811177672745651 0.00285028095505868 . . . . . . . . . . . . 38 GLN N . 0.82434040693925 0.00195194742896228 . . . . . . . . . . . . 39 ARG N . 0.831969939143206 0.0027318704063307 . . . . . . . . . . . . 42 ASP N . 0.866087422039687 0.00209478603924367 . . . . . . . . . . . . 43 VAL N . 0.831499980112784 0.00244176110268742 . . . . . . . . . . . . 44 ALA N . 0.855425847491698 0.00171695069479819 . . . . . . . . . . . . 45 PHE N . 0.89106770024152 0.00213635053305984 . . . . . . . . . . . . 46 HIS N . 0.883940992655976 0.00386232701613536 . . . . . . . . . . . . 47 PHE N . 0.843737592956361 0.00219856864069703 . . . . . . . . . . . . 48 ASN N . 0.858389582769642 0.00307374663121497 . . . . . . . . . . . . 50 ARG N . 0.85431927540349 0.00327960223310951 . . . . . . . . . . . . 51 PHE N . 0.849384840963201 0.00249648467000629 . . . . . . . . . . . . 52 ASN N . 0.866532664653464 0.00618526884391664 . . . . . . . . . . . . 53 GLU N . 0.797313868118754 0.00264218062501768 . . . . . . . . . . . . 55 ASN N . 0.831705981042345 0.00379259043057372 . . . . . . . . . . . . 56 ARG N . 0.784547781944491 0.0019091884680654 . . . . . . . . . . . . 57 ARG N . 0.779082418903612 0.00181518901676486 . . . . . . . . . . . . 58 VAL N . 0.855427966080629 0.0021478740444225 . . . . . . . . . . . . 59 ILE N . 0.861304726339294 0.00252012083131598 . . . . . . . . . . . . 60 VAL N . 0.848413264760688 0.00283923311419342 . . . . . . . . . . . . 61 CYS N . 0.842253051796292 0.00354389343879309 . . . . . . . . . . . . 62 ASN N . 0.863775503800204 0.00310324502731932 . . . . . . . . . . . . 63 THR N . 0.794849858514698 0.00318091347583644 . . . . . . . . . . . . 64 LYS N . 0.86605166583121 0.00227319043376988 . . . . . . . . . . . . 65 LEU N . 0.841400504809886 0.00337576239940709 . . . . . . . . . . . . 66 ASP N . 0.854313880809299 0.00295995927039141 . . . . . . . . . . . . 67 ASN N . 0.826589486707146 0.00181646572400724 . . . . . . . . . . . . 68 ASN N . 0.79121522617376 0.00221974204903298 . . . . . . . . . . . . 69 TRP N . 0.868850576473073 0.00477719564019651 . . . . . . . . . . . . 70 GLY N . 0.821511134381322 0.00266383252516141 . . . . . . . . . . . . 71 ARG N . 0.904015400022447 0.00942297266930856 . . . . . . . . . . . . 72 GLU N . 0.827247917117521 0.00224764175866836 . . . . . . . . . . . . 73 GLU N . 0.833469046269219 0.0026263778367592 . . . . . . . . . . . . 74 ARG N . 0.820613654036832 0.013529233572196 . . . . . . . . . . . . 75 GLN N . 0.834986057423998 0.00251167221333019 . . . . . . . . . . . . 77 VAL N . 0.80570687264084 0.00249151333251792 . . . . . . . . . . . . 78 PHE N . 0.824023379956338 0.00604041105089019 . . . . . . . . . . . . 80 PHE N . 0.647653283573038 0.00266045991380064 . . . . . . . . . . . . 81 GLU N . 0.796576290699991 0.00403049600580072 . . . . . . . . . . . . 82 SER N . 0.835579739620271 0.00353491797745188 . . . . . . . . . . . . 83 GLY N . 0.826374275508414 0.00286352322784949 . . . . . . . . . . . . 86 PHE N . 0.843943479189789 0.00183773969134099 . . . . . . . . . . . . 87 LYS N . 0.832870478320346 0.00290653022273154 . . . . . . . . . . . . 88 ILE N . 0.839379556427806 0.00197719559853423 . . . . . . . . . . . . 89 GLN N . 0.816110208837426 0.00206322586551805 . . . . . . . . . . . . 90 VAL N . 0.808933739949449 0.00296897072685566 . . . . . . . . . . . . 91 LEU N . 0.865171456717012 0.00360705359476108 . . . . . . . . . . . . 92 VAL N . 0.864928305224078 0.00334647986771933 . . . . . . . . . . . . 93 GLU N . 0.879211494872324 0.00287308313505811 . . . . . . . . . . . . 95 ASP N . 0.8822092579807 0.00920647891654886 . . . . . . . . . . . . 96 HIS N . 0.880905500526559 0.00298574171563983 . . . . . . . . . . . . 97 PHE N . 0.842135154295017 0.00236616075150018 . . . . . . . . . . . . 98 LYS N . 0.83731385032644 0.00321297240706325 . . . . . . . . . . . . 100 ALA N . 0.874973086165024 0.00218502252263636 . . . . . . . . . . . . 101 VAL N . 0.859076494658576 0.0027122085740851 . . . . . . . . . . . . 102 ASN N . 0.879520744508245 0.00211875295630208 . . . . . . . . . . . . 103 ASP N . 0.867644607469959 0.00293928380133075 . . . . . . . . . . . . 104 ALA N . 0.811966500471101 0.00183698271035544 . . . . . . . . . . . . 106 LEU N . 0.865000348500486 0.00608551637542218 . . . . . . . . . . . . 107 LEU N . 0.869690271142025 0.0032453186761769 . . . . . . . . . . . . 108 GLN N . 0.864682225304683 0.00362515608091627 . . . . . . . . . . . . 109 TYR N . 0.85684256726396 0.00304802577915599 . . . . . . . . . . . . 110 ASN N . 0.857749613903683 0.00259705794534601 . . . . . . . . . . . . 111 HIS N . 0.856727812847974 0.00266175415790083 . . . . . . . . . . . . 112 ARG N . 0.834385821571206 0.00359482886636138 . . . . . . . . . . . . 113 VAL N . 0.73578712799087 0.00325464768384788 . . . . . . . . . . . . 115 LYS N . 0.811935533953637 0.00691660261614211 . . . . . . . . . . . . 116 LEU N . 0.829278614247717 0.00216101399266066 . . . . . . . . . . . . 117 ASN N . 0.875680781015427 0.00332862877597967 . . . . . . . . . . . . 118 GLU N . 0.865205140872663 0.00225474127453789 . . . . . . . . . . . . 119 ILE N . 0.86123249997783 0.00198787552194616 . . . . . . . . . . . . 120 SER N . 0.756375780210526 0.00206460912633294 . . . . . . . . . . . . 121 LYS N . 0.896303007184342 0.00242198926395617 . . . . . . . . . . . . 122 LEU N . 0.855297413467075 0.00182950003598479 . . . . . . . . . . . . 123 GLY N . 0.84477188370062 0.00149652667269907 . . . . . . . . . . . . 124 ILE N . 0.839954553784114 0.0024616920602384 . . . . . . . . . . . . 125 SER N . 0.864531005726322 0.00209810505851194 . . . . . . . . . . . . 126 GLY N . 0.861229766929394 0.0031518579614156 . . . . . . . . . . . . 127 ASP N . 0.829847513289845 0.00256610136611409 . . . . . . . . . . . . 128 ILE N . 0.859102705133436 0.00192352475417656 . . . . . . . . . . . . 129 ASP N . 0.853965757302005 0.00257827924779848 . . . . . . . . . . . . 130 LEU N . 0.80734545376951 0.00212983451756464 . . . . . . . . . . . . 131 THR N . 0.855905444335166 0.00338679595439881 . . . . . . . . . . . . 132 SER N . 0.836342396287789 0.00215201446884324 . . . . . . . . . . . . 133 ALA N . 0.860731008490167 0.00222889280021657 . . . . . . . . . . . . 134 SER N . 0.836536428888516 0.00194011282547409 . . . . . . . . . . . . 135 TYR N . 0.837378907485917 0.00178622773355227 . . . . . . . . . . . . 136 THR N . 0.858096712977763 0.00184222697301592 . . . . . . . . . . . . 137 MET N . 0.757288048682284 0.0042603386032902 . . . . . . . . . . . . 138 ILE N . 0.814831180320307 0.00207601619687718 . . . . . . . . . . . . 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 . 0.492 0.000 . . . . . . . . . . . . 2 LEU CD2 . 0.464 0.000 . . . . . . . . . . . . 3 ILE CD1 . 0.309 0.049 . . . . . . . . . . . . 3 ILE CG2 . 0.629 0.070 . . . . . . . . . . . . 4 VAL CG1 . 0.765 0.017 . . . . . . . . . . . . 8 LEU CD2 . 0.538 0.095 . . . . . . . . . . . . 10 LEU CD1 . 0.681 0.001 . . . . . . . . . . . . 14 VAL CG1 . 0.856 0.006 . . . . . . . . . . . . 15 VAL CG2 . 0.375 0.001 . . . . . . . . . . . . 18 MET CE . 0.462 0.044 . . . . . . . . . . . . 19 LEU CD1 . 0.661 0.002 . . . . . . . . . . . . 19 LEU CD2 . 0.643 0.000 . . . . . . . . . . . . 20 ILE CD1 . 0.349 0.000 . . . . . . . . . . . . 20 ILE CG2 . 0.829 0.000 . . . . . . . . . . . . 21 THR CG2 . 0.921 0.001 . . . . . . . . . . . . 22 ILE CD1 . 0.527 0.037 . . . . . . . . . . . . 22 ILE CG2 . 0.888 0.024 . . . . . . . . . . . . 23 LEU CD1 . 0.374 0.000 . . . . . . . . . . . . 23 LEU CD2 . 0.406 0.078 . . . . . . . . . . . . 25 THR CG1 . 0.738 0.042 . . . . . . . . . . . . 26 VAL CG1 . 0.901 0.001 . . . . . . . . . . . . 30 ALA CB . 0.917 0.002 . . . . . . . . . . . . 33 ILE CD1 . 0.826 0.000 . . . . . . . . . . . . 33 ILE CG2 . 0.759 0.001 . . . . . . . . . . . . 34 ALA CB . 0.934 0.001 . . . . . . . . . . . . 35 LEU CD1 . 0.403 0.001 . . . . . . . . . . . . 35 LEU CD2 . 0.257 0.001 . . . . . . . . . . . . 43 VAL CG1 . 0.851 0.004 . . . . . . . . . . . . 43 VAL CG2 . 0.846 0.000 . . . . . . . . . . . . 44 ALA CB . 0.939 0.005 . . . . . . . . . . . . 58 VAL CG1 . 0.579 0.018 . . . . . . . . . . . . 58 VAL CG2 . 0.435 0.001 . . . . . . . . . . . . 59 ILE CD1 . 0.439 0.046 . . . . . . . . . . . . 59 ILE CG2 . 0.863 0.000 . . . . . . . . . . . . 60 VAL CG1 . 0.875 0.001 . . . . . . . . . . . . 60 VAL CG2 . 0.837 0.001 . . . . . . . . . . . . 65 LEU CD1 . 0.363 0.000 . . . . . . . . . . . . 65 LEU CD2 . 0.453 0.001 . . . . . . . . . . . . 77 VAL CG1 . 0.775 0.115 . . . . . . . . . . . . 77 VAL CG2 . 0.777 0.073 . . . . . . . . . . . . 88 ILE CD1 . 0.773 0.038 . . . . . . . . . . . . 88 ILE CG2 . 0.798 0.000 . . . . . . . . . . . . 90 VAL CG1 . 0.887 0.001 . . . . . . . . . . . . 91 LEU CD1 . 0.595 0.000 . . . . . . . . . . . . 91 LEU CD2 . 0.592 0.001 . . . . . . . . . . . . 92 VAL CG1 . 0.928 0.001 . . . . . . . . . . . . 92 VAL CG2 . 0.905 0.001 . . . . . . . . . . . . 99 VAL CG1 . 0.828 0.001 . . . . . . . . . . . . 99 VAL CG2 . 0.964 0.001 . . . . . . . . . . . . 100 ALA CB . 0.932 0.001 . . . . . . . . . . . . 101 VAL CG1 . 0.828 0.002 . . . . . . . . . . . . 101 VAL CG2 . 0.572 0.001 . . . . . . . . . . . . 104 ALA CB . 0.874 0.000 . . . . . . . . . . . . 106 LEU CD1 . 0.778 0.002 . . . . . . . . . . . . 106 LEU CD2 . 0.696 0.002 . . . . . . . . . . . . 107 LEU CD1 . 0.749 0.002 . . . . . . . . . . . . 113 VAL CG1 . 0.778 0.001 . . . . . . . . . . . . 113 VAL CG2 . 0.870 0.012 . . . . . . . . . . . . 116 LEU CD1 . 0.624 0.002 . . . . . . . . . . . . 116 LEU CD2 . 0.636 0.001 . . . . . . . . . . . . 119 ILE CD1 . 0.609 0.000 . . . . . . . . . . . . 119 ILE CG2 . 0.880 0.001 . . . . . . . . . . . . 122 LEU CD1 . 0.698 0.001 . . . . . . . . . . . . 122 LEU CD2 . 0.681 0.002 . . . . . . . . . . . . 124 ILE CD1 . 0.589 0.045 . . . . . . . . . . . . 124 ILE CG2 . 0.866 0.000 . . . . . . . . . . . . 128 ILE CD1 . 0.534 0.000 . . . . . . . . . . . . 131 THR CG2 . 0.669 0.050 . . . . . . . . . . . . 133 ALA CB . 0.665 0.003 . . . . . . . . . . . . 136 THR CG1 . 0.613 0.001 . . . . . . . . . . . . 137 MET CE . 0.512 0.042 . . . . . . . . . . . . 138 ILE CD1 . 0.427 0.043 . . . . . . . . . . . . 138 ILE CG2 . 0.650 0.057 . . . . . . . . . . . . stop_ _Tau_s_value_units . save_