data_15066 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; apo-PGG/GGG chicken Triosephosphate Isomerase (TIM) ; _BMRB_accession_number 15066 _BMRB_flat_file_name bmr15066.str _Entry_type original _Submission_date 2006-12-05 _Accession_date 2006-12-05 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'apo-PGG/GGG chicken Triosephosphate Isomerase (TIM)' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kempf James G. . 2 Jung Ju-yeon . . 3 Ragain Christina . . 4 Sampson Nicole S. . 5 Loria Pat . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 2 T1_relaxation 2 T2_relaxation 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 191 "13C chemical shifts" 404 "15N chemical shifts" 191 "T1 relaxation values" 380 "T2 relaxation values" 381 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-05-18 update author 'complete entry citation' 2007-02-23 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 15064 'apo WT cTIM' 15065 '2-PGA-bound WT cTIM' 15067 '2-PGA-bound PGG/GGG cTIM' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Dynamic Requirements for a Functional Protein Hinge' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17336327 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kempf James G. . 2 Jung Ju-yeon . . 3 Ragain Christina . . 4 Sampson Nicole S. . 5 Loria J. Patrick . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 368 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 131 _Page_last 149 _Year 2007 _Details . loop_ _Keyword 'Enzyme catalysis' 'Loop motion' 'NMR spectroscopy' 'Protein dynamics' 'Protein hinge' 'Triosephosphate isomerase' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'apo PGG/GGG' _Enzyme_commission_number 5.3.1.1 loop_ _Mol_system_component_name _Mol_label 'PGG/GGG monomer 1' $PGG_GGG_mono 'PGG/GGG monomer 2' $PGG_GGG_mono stop_ _System_molecular_weight 53200 _System_physical_state native _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details homodimer save_ ######################## # Monomeric polymers # ######################## save_PGG_GGG_mono _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PGG/GGG_mono _Molecular_mass 26620 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 248 _Mol_residue_sequence ; MAPRKFFVGGNWKMNGDKKS LGELIHTLNGAKLSADTEVV CGAPSIYLDFARQKLDAKIG VAAQNCYKVPKGAFTGEISP AMIKDIGAAWVILGHSERRH VFGESDELIGQKVAHALAEG LGVIACIGEKLDEREAGITE KVVFEQTKAIADNVKDWSKV VLAYEPGGAIGTGGGGTPQQ AQEVHEKLRGWLKSHVSDAV AQSTRIIYGGSVTGGNCKEL ASQHDVDGFLVGGASLKPEF VDIINAKH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 PRO 4 ARG 5 LYS 6 PHE 7 PHE 8 VAL 9 GLY 10 GLY 11 ASN 12 TRP 13 LYS 14 MET 15 ASN 16 GLY 17 ASP 18 LYS 19 LYS 20 SER 21 LEU 22 GLY 23 GLU 24 LEU 25 ILE 26 HIS 27 THR 28 LEU 29 ASN 30 GLY 31 ALA 32 LYS 33 LEU 34 SER 35 ALA 36 ASP 37 THR 38 GLU 39 VAL 40 VAL 41 CYS 42 GLY 43 ALA 44 PRO 45 SER 46 ILE 47 TYR 48 LEU 49 ASP 50 PHE 51 ALA 52 ARG 53 GLN 54 LYS 55 LEU 56 ASP 57 ALA 58 LYS 59 ILE 60 GLY 61 VAL 62 ALA 63 ALA 64 GLN 65 ASN 66 CYS 67 TYR 68 LYS 69 VAL 70 PRO 71 LYS 72 GLY 73 ALA 74 PHE 75 THR 76 GLY 77 GLU 78 ILE 79 SER 80 PRO 81 ALA 82 MET 83 ILE 84 LYS 85 ASP 86 ILE 87 GLY 88 ALA 89 ALA 90 TRP 91 VAL 92 ILE 93 LEU 94 GLY 95 HIS 96 SER 97 GLU 98 ARG 99 ARG 100 HIS 101 VAL 102 PHE 103 GLY 104 GLU 105 SER 106 ASP 107 GLU 108 LEU 109 ILE 110 GLY 111 GLN 112 LYS 113 VAL 114 ALA 115 HIS 116 ALA 117 LEU 118 ALA 119 GLU 120 GLY 121 LEU 122 GLY 123 VAL 124 ILE 125 ALA 126 CYS 127 ILE 128 GLY 129 GLU 130 LYS 131 LEU 132 ASP 133 GLU 134 ARG 135 GLU 136 ALA 137 GLY 138 ILE 139 THR 140 GLU 141 LYS 142 VAL 143 VAL 144 PHE 145 GLU 146 GLN 147 THR 148 LYS 149 ALA 150 ILE 151 ALA 152 ASP 153 ASN 154 VAL 155 LYS 156 ASP 157 TRP 158 SER 159 LYS 160 VAL 161 VAL 162 LEU 163 ALA 164 TYR 165 GLU 166 PRO 167 GLY 168 GLY 169 ALA 170 ILE 171 GLY 172 THR 173 GLY 174 GLY 175 GLY 176 GLY 177 THR 178 PRO 179 GLN 180 GLN 181 ALA 182 GLN 183 GLU 184 VAL 185 HIS 186 GLU 187 LYS 188 LEU 189 ARG 190 GLY 191 TRP 192 LEU 193 LYS 194 SER 195 HIS 196 VAL 197 SER 198 ASP 199 ALA 200 VAL 201 ALA 202 GLN 203 SER 204 THR 205 ARG 206 ILE 207 ILE 208 TYR 209 GLY 210 GLY 211 SER 212 VAL 213 THR 214 GLY 215 GLY 216 ASN 217 CYS 218 LYS 219 GLU 220 LEU 221 ALA 222 SER 223 GLN 224 HIS 225 ASP 226 VAL 227 ASP 228 GLY 229 PHE 230 LEU 231 VAL 232 GLY 233 GLY 234 ALA 235 SER 236 LEU 237 LYS 238 PRO 239 GLU 240 PHE 241 VAL 242 ASP 243 ILE 244 ILE 245 ASN 246 ALA 247 LYS 248 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-05 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15064 triosephosphate_isomerase 100.00 248 97.98 97.98 6.38e-174 BMRB 15065 triosephosphate_isomerase 100.00 248 97.98 97.98 6.38e-174 BMRB 15067 PGG/GGG 100.00 248 100.00 100.00 1.05e-178 PDB 1SPQ "Understanding Protein Lids: Structural Analysis Of Active Hinge Mutants In Triosephosphate Isomerase" 99.60 247 97.98 97.98 1.89e-172 PDB 1SQ7 "Understanding Protein Lids: Structural Analysis Of Active Hinge Mutants In Triosephosphate Isomerase" 99.60 247 97.98 97.98 4.58e-172 PDB 1SSD "Understanding Protein Lids: Structural Analysis Of Active Hinge Mutants In Triosephosphate Isomerase" 99.60 247 97.98 97.98 4.44e-172 PDB 1SSG "Understanding Protein Lids: Structural Analysis Of Active Hinge Mutants In Triosephosphate Isomerase" 99.60 247 97.98 97.98 4.44e-172 PDB 1SU5 "Understanding Protein Lids: Structural Analysis Of Active Hinge Mutants In Triosephosphate Isomerase" 99.60 247 97.98 97.98 1.09e-172 PDB 1SW0 "Triosephosphate Isomerase From Gallus Gallus, Loop 6 Hinge Mutant K174l, T175w" 100.00 248 97.98 97.98 4.57e-173 PDB 1SW3 "Triosephosphate Isomerase From Gallus Gallus, Loop 6 Mutant T175v" 100.00 248 97.98 97.98 2.22e-173 PDB 1SW7 "Triosephosphate Isomerase From Gallus Gallus, Loop 6 Mutant K174n, T175s, A176s" 100.00 248 97.98 97.98 2.90e-174 PDB 1TPB "Offset Of A Catalytic Lesion By A Bound Water Soluble" 99.60 247 97.17 97.98 1.24e-171 PDB 1TPH "1.8 Angstroms Crystal Structure Of Wild Type Chicken Triosephosphate Isomerase-Phosphoglycolohydroxamate Complex" 99.60 247 97.57 97.98 3.19e-172 PDB 1TPU "S96p Change Is A Second-Site Suppressor For H95n Sluggish Mutant Triosephosphate Isomerase" 99.60 247 97.17 97.98 1.70e-171 PDB 1TPW "Triosephosphate Isomerase Drinks Water To Keep Healthy" 99.60 247 97.17 97.57 2.42e-171 PDB 4P61 "Chicken Triosephosphate Isomerase With Loop6 Mutations, V167p And W168e" 100.00 248 97.98 97.98 3.20e-174 PDB 8TIM "Triose Phosphate Isomerase" 99.60 247 97.57 97.98 3.19e-172 EMBL CAE45562 "triosephosphate isomerase, partial [Anser anser]" 85.08 211 97.16 97.16 9.94e-143 EMBL CAE45563 "triosephosphate isomerase, partial [Meleagris gallopavo]" 85.08 211 97.16 97.16 3.20e-142 EMBL CAE45564 "triosephosphate isomerase, partial [Phasianus colchicus]" 85.08 211 97.16 97.16 9.11e-143 GB AAA49094 "TIM [Gallus gallus]" 100.00 248 97.98 97.98 6.38e-174 GB AAA49095 "triosephosphate isomerase (EC 5.3.1.1) [Gallus gallus]" 100.00 248 97.98 97.98 6.38e-174 GB KFP89361 "Triosephosphate isomerase, partial [Apaloderma vittatum]" 85.08 211 97.16 97.16 2.40e-143 GB KFP99577 "Triosephosphate isomerase, partial [Haliaeetus albicilla]" 85.08 211 97.16 97.16 2.40e-143 GB KFQ92375 "Triosephosphate isomerase, partial [Nipponia nippon]" 85.08 211 97.16 97.16 2.40e-143 REF NP_990782 "triosephosphate isomerase [Gallus gallus]" 100.00 248 97.98 97.98 6.38e-174 REF XP_009506417 "PREDICTED: triosephosphate isomerase, partial [Phalacrocorax carbo]" 84.68 210 97.14 97.14 1.66e-142 REF XP_010147293 "PREDICTED: triosephosphate isomerase [Eurypyga helias]" 67.34 167 97.01 97.01 9.29e-109 REF XP_010168177 "PREDICTED: triosephosphate isomerase, partial [Caprimulgus carolinensis]" 84.68 210 97.14 97.14 1.66e-142 REF XP_010716134 "PREDICTED: triosephosphate isomerase [Meleagris gallopavo]" 94.76 235 97.45 97.45 3.34e-161 SP P00940 "RecName: Full=Triosephosphate isomerase; Short=TIM; AltName: Full=Triose-phosphate isomerase" 100.00 248 97.98 97.98 6.38e-174 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PGG_GGG_mono chicken 9031 Eukaryota Metazoa Gallus gallus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $PGG_GGG_mono 'recombinant technology' . Escherichia coli . pET15b/PGG/GGG stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_2H_15N_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PGG_GGG_mono 0.9 mM '[U-99% 15N; U-99%2H]' D2O 7.5 % 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' MES 10 mM [U-2H] stop_ save_ save_2H_13C_15N_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PGG_GGG_mono 0.9 mM '[U-99% 13C; U-99% 15N; U-99% 2H]' D2O 7.5 % 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' MES 10 mM [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_PISTACHIO _Saveframe_category software _Name PISTACHIO _Version . loop_ _Vendor _Address _Electronic_address Eghbalnia . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $2H_13C_15N_sample save_ save_3D_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $2H_13C_15N_sample save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $2H_13C_15N_sample save_ save_3D_HN(CO)CACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $2H_13C_15N_sample save_ save_1H-15N_ssNOE_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N ssNOE' _Sample_label $2H_15N_sample save_ save_1H-15N_T1_6 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N T1' _Sample_label $2H_15N_sample save_ save_1H-15N_T2_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N T2' _Sample_label $2H_15N_sample save_ ####################### # Sample conditions # ####################### save_standard_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' . . M pH 6.5 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label water C 13 protons ppm 4.821 internal indirect . . . 0.25144952 $entry_citation $entry_citation water H 1 protons ppm 4.821 internal direct . . . 1.0 $entry_citation $entry_citation water N 15 protons ppm 4.821 internal indirect . . . 0.10132905 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D HN(CO)CACB' stop_ loop_ _Sample_label $2H_13C_15N_sample stop_ _Sample_conditions_label $standard_conditions _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'PGG/GGG monomer 1' _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 3 3 PRO CA C 63.14 0.10 1 2 3 3 PRO CB C 31.62 0.10 1 3 4 4 ARG H H 8.430 0.010 1 4 4 4 ARG CA C 56.22 0.10 1 5 4 4 ARG CB C 31.79 0.10 1 6 4 4 ARG N N 121.99 0.10 1 7 5 5 LYS H H 9.012 0.010 1 8 5 5 LYS CA C 57.47 0.10 1 9 5 5 LYS CB C 32.16 0.10 1 10 5 5 LYS N N 128.39 0.10 1 11 6 6 PHE H H 8.499 0.010 1 12 6 6 PHE CA C 59.24 0.10 1 13 6 6 PHE CB C 40.20 0.10 1 14 6 6 PHE N N 131.65 0.10 1 15 7 7 PHE CA C 53.28 0.10 1 16 7 7 PHE CB C 41.81 0.10 1 17 8 8 VAL H H 8.711 0.010 1 18 8 8 VAL CA C 61.50 0.10 1 19 8 8 VAL CB C 34.12 0.10 1 20 8 8 VAL N N 127.11 0.10 1 21 9 9 GLY H H 9.183 0.010 1 22 9 9 GLY CA C 42.75 0.10 1 23 9 9 GLY N N 112.19 0.10 1 24 10 10 GLY H H 9.327 0.010 1 25 10 10 GLY CA C 46.06 0.10 1 26 10 10 GLY N N 112.46 0.10 1 27 11 11 ASN H H 9.172 0.010 1 28 11 11 ASN CA C 50.98 0.10 1 29 11 11 ASN CB C 37.42 0.10 1 30 11 11 ASN N N 124.10 0.10 1 31 12 12 TRP H H 7.757 0.010 1 32 12 12 TRP CA C 56.61 0.10 1 33 12 12 TRP CB C 28.88 0.10 1 34 12 12 TRP N N 125.11 0.10 1 35 13 13 LYS H H 8.003 0.010 1 36 13 13 LYS CA C 57.56 0.10 1 37 13 13 LYS CB C 30.88 0.10 1 38 13 13 LYS N N 115.13 0.10 1 39 14 14 MET H H 7.440 0.010 1 40 14 14 MET CA C 53.89 0.10 1 41 14 14 MET CB C 32.09 0.10 1 42 14 14 MET N N 124.69 0.10 1 43 15 15 ASN H H 7.205 0.010 1 44 15 15 ASN CA C 53.00 0.10 1 45 15 15 ASN CB C 44.44 0.10 1 46 15 15 ASN N N 118.70 0.10 1 47 16 16 GLY H H 8.214 0.010 1 48 16 16 GLY CA C 43.54 0.10 1 49 16 16 GLY N N 104.50 0.10 1 50 17 17 ASP H H 6.992 0.010 1 51 17 17 ASP CA C 51.46 0.10 1 52 17 17 ASP CB C 42.55 0.10 1 53 17 17 ASP N N 114.25 0.10 1 54 18 18 LYS H H 9.639 0.010 1 55 18 18 LYS CA C 62.00 0.10 1 56 18 18 LYS CB C 31.49 0.10 1 57 18 18 LYS N N 120.90 0.10 1 58 19 19 LYS H H 8.414 0.010 1 59 19 19 LYS CA C 59.89 0.10 1 60 19 19 LYS CB C 31.61 0.10 1 61 19 19 LYS N N 120.90 0.10 1 62 20 20 SER H H 8.977 0.010 1 63 20 20 SER CA C 61.64 0.10 1 64 20 20 SER CB C 62.73 0.10 1 65 20 20 SER N N 118.32 0.10 1 66 21 21 LEU H H 9.156 0.010 1 67 21 21 LEU CA C 57.28 0.10 1 68 21 21 LEU CB C 39.87 0.10 1 69 21 21 LEU N N 125.07 0.10 1 70 22 22 GLY H H 8.312 0.010 1 71 22 22 GLY CA C 47.40 0.10 1 72 22 22 GLY N N 108.25 0.10 1 73 23 23 GLU H H 7.558 0.010 1 74 23 23 GLU CA C 59.51 0.10 1 75 23 23 GLU CB C 29.03 0.10 1 76 23 23 GLU N N 122.24 0.10 1 77 24 24 LEU H H 7.504 0.010 1 78 24 24 LEU CA C 58.12 0.10 1 79 24 24 LEU CB C 41.62 0.10 1 80 24 24 LEU N N 123.28 0.10 1 81 25 25 ILE CA C 65.99 0.10 1 82 25 25 ILE CB C 37.68 0.10 1 83 26 26 HIS H H 8.113 0.010 1 84 26 26 HIS CA C 60.37 0.10 1 85 26 26 HIS CB C 29.78 0.10 1 86 26 26 HIS N N 119.21 0.10 1 87 27 27 THR H H 8.023 0.010 1 88 27 27 THR CA C 66.76 0.10 1 89 27 27 THR CB C 68.42 0.10 1 90 27 27 THR N N 117.75 0.10 1 91 28 28 LEU H H 8.276 0.010 1 92 28 28 LEU CA C 58.38 0.10 1 93 28 28 LEU CB C 40.96 0.10 1 94 28 28 LEU N N 122.54 0.10 1 95 29 29 ASN H H 8.828 0.010 1 96 29 29 ASN CA C 54.90 0.10 1 97 29 29 ASN CB C 37.81 0.10 1 98 29 29 ASN N N 117.22 0.10 1 99 30 30 GLY H H 7.396 0.010 1 100 30 30 GLY CA C 44.85 0.10 1 101 30 30 GLY N N 104.79 0.10 1 102 31 31 ALA H H 7.160 0.010 1 103 31 31 ALA CA C 51.79 0.10 1 104 31 31 ALA CB C 20.32 0.10 1 105 31 31 ALA N N 124.18 0.10 1 106 32 32 LYS H H 8.513 0.010 1 107 32 32 LYS CA C 55.51 0.10 1 108 32 32 LYS CB C 30.01 0.10 1 109 32 32 LYS N N 122.24 0.10 1 110 33 33 LEU H H 8.199 0.010 1 111 33 33 LEU CA C 53.54 0.10 1 112 33 33 LEU CB C 41.56 0.10 1 113 33 33 LEU N N 125.93 0.10 1 114 34 34 SER H H 8.702 0.010 1 115 34 34 SER CA C 58.87 0.10 1 116 34 34 SER CB C 64.12 0.10 1 117 34 34 SER N N 118.90 0.10 1 118 35 35 ALA H H 8.806 0.010 1 119 35 35 ALA CA C 53.97 0.10 1 120 35 35 ALA CB C 18.15 0.10 1 121 35 35 ALA N N 129.66 0.10 1 122 36 36 ASP H H 8.030 0.010 1 123 36 36 ASP CA C 54.04 0.10 1 124 36 36 ASP CB C 40.73 0.10 1 125 36 36 ASP N N 115.13 0.10 1 126 37 37 THR H H 7.274 0.010 1 127 37 37 THR CA C 61.83 0.10 1 128 37 37 THR CB C 70.71 0.10 1 129 37 37 THR N N 115.54 0.10 1 130 38 38 GLU H H 9.514 0.010 1 131 38 38 GLU CA C 55.76 0.10 1 132 38 38 GLU CB C 30.78 0.10 1 133 38 38 GLU N N 132.60 0.10 1 134 39 39 VAL H H 8.660 0.010 1 135 39 39 VAL CA C 60.85 0.10 1 136 39 39 VAL CB C 33.13 0.10 1 137 39 39 VAL N N 126.66 0.10 1 138 40 40 VAL H H 8.159 0.010 1 139 40 40 VAL CB C 35.91 0.10 1 140 40 40 VAL N N 125.39 0.10 1 141 41 41 CYS CA C 58.92 0.10 1 142 41 41 CYS CB C 29.44 0.10 1 143 42 42 GLY H H 9.221 0.010 1 144 42 42 GLY CA C 45.64 0.10 1 145 42 42 GLY N N 112.62 0.10 1 146 43 43 ALA H H 7.223 0.010 1 147 43 43 ALA CB C 18.72 0.10 1 148 43 43 ALA N N 129.00 0.10 1 149 45 45 SER CA C 61.19 0.10 1 150 45 45 SER CB C 62.48 0.10 1 151 46 46 ILE H H 5.984 0.010 1 152 46 46 ILE CA C 61.44 0.10 1 153 46 46 ILE CB C 40.24 0.10 1 154 46 46 ILE N N 118.83 0.10 1 155 47 47 TYR H H 7.774 0.010 1 156 47 47 TYR CA C 56.80 0.10 1 157 47 47 TYR CB C 40.39 0.10 1 158 47 47 TYR N N 118.32 0.10 1 159 48 48 LEU H H 7.200 0.010 1 160 48 48 LEU CA C 59.57 0.10 1 161 48 48 LEU CB C 42.55 0.10 1 162 48 48 LEU N N 123.59 0.10 1 163 49 49 ASP H H 9.186 0.010 1 164 49 49 ASP CA C 57.47 0.10 1 165 49 49 ASP CB C 40.89 0.10 1 166 49 49 ASP N N 119.30 0.10 1 167 50 50 PHE H H 8.697 0.010 1 168 50 50 PHE CA C 61.43 0.10 1 169 50 50 PHE CB C 39.82 0.10 1 170 50 50 PHE N N 120.08 0.10 1 171 51 51 ALA H H 9.146 0.010 1 172 51 51 ALA CA C 55.13 0.10 1 173 51 51 ALA CB C 16.77 0.10 1 174 51 51 ALA N N 118.74 0.10 1 175 52 52 ARG H H 8.584 0.010 1 176 52 52 ARG CA C 56.53 0.10 1 177 52 52 ARG CB C 31.91 0.10 1 178 52 52 ARG N N 117.81 0.10 1 179 53 53 GLN H H 8.523 0.010 1 180 53 53 GLN CA C 58.91 0.10 1 181 53 53 GLN CB C 28.79 0.10 1 182 53 53 GLN N N 118.69 0.10 1 183 54 54 LYS H H 7.605 0.010 1 184 54 54 LYS CA C 56.05 0.10 1 185 54 54 LYS CB C 33.02 0.10 1 186 54 54 LYS N N 115.64 0.10 1 187 55 55 LEU H H 8.432 0.010 1 188 55 55 LEU CA C 56.02 0.10 1 189 55 55 LEU CB C 42.67 0.10 1 190 55 55 LEU N N 123.37 0.10 1 191 56 56 ASP H H 8.982 0.010 1 192 56 56 ASP CA C 55.27 0.10 1 193 56 56 ASP CB C 42.95 0.10 1 194 56 56 ASP N N 124.60 0.10 1 195 57 57 ALA H H 8.522 0.010 1 196 57 57 ALA CA C 55.17 0.10 1 197 57 57 ALA CB C 18.63 0.10 1 198 57 57 ALA N N 127.73 0.10 1 199 58 58 LYS H H 8.922 0.010 1 200 58 58 LYS CA C 58.02 0.10 1 201 58 58 LYS CB C 31.24 0.10 1 202 58 58 LYS N N 116.70 0.10 1 203 59 59 ILE H H 8.395 0.010 1 204 59 59 ILE CA C 61.08 0.10 1 205 59 59 ILE CB C 38.21 0.10 1 206 59 59 ILE N N 123.37 0.10 1 207 60 60 GLY H H 8.894 0.010 1 208 60 60 GLY CA C 45.30 0.10 1 209 60 60 GLY N N 114.13 0.10 1 210 61 61 VAL H H 8.562 0.010 1 211 61 61 VAL CA C 61.45 0.10 1 212 61 61 VAL CB C 34.92 0.10 1 213 61 61 VAL N N 120.29 0.10 1 214 62 62 ALA H H 8.638 0.010 1 215 62 62 ALA CA C 48.22 0.10 1 216 62 62 ALA CB C 21.94 0.10 1 217 62 62 ALA N N 126.93 0.10 1 218 63 63 ALA H H 8.128 0.010 1 219 63 63 ALA CA C 50.42 0.10 1 220 63 63 ALA CB C 20.79 0.10 1 221 63 63 ALA N N 120.10 0.10 1 222 64 64 GLN H H 10.12 0.010 1 223 64 64 GLN CA C 56.60 0.10 1 224 64 64 GLN CB C 28.66 0.10 1 225 64 64 GLN N N 119.91 0.10 1 226 65 65 ASN H H 6.976 0.010 1 227 65 65 ASN CA C 52.72 0.10 1 228 65 65 ASN CB C 38.78 0.10 1 229 65 65 ASN N N 105.89 0.10 1 230 66 66 CYS H H 7.570 0.010 1 231 66 66 CYS CA C 57.68 0.10 1 232 66 66 CYS CB C 30.43 0.10 1 233 66 66 CYS N N 113.71 0.10 1 234 67 67 TYR H H 8.900 0.010 1 235 67 67 TYR CA C 57.32 0.10 1 236 67 67 TYR CB C 39.66 0.10 1 237 67 67 TYR N N 117.11 0.10 1 238 70 70 PRO CA C 65.63 0.10 1 239 70 70 PRO CB C 33.14 0.10 1 240 71 71 LYS H H 7.258 0.010 1 241 71 71 LYS CA C 54.22 0.10 1 242 71 71 LYS CB C 33.63 0.10 1 243 71 71 LYS N N 110.89 0.10 1 244 72 72 GLY H H 8.350 0.010 1 245 72 72 GLY CA C 44.72 0.10 1 246 72 72 GLY N N 105.20 0.10 1 247 73 73 ALA H H 8.321 0.010 1 248 73 73 ALA CA C 50.99 0.10 1 249 73 73 ALA CB C 14.90 0.10 1 250 73 73 ALA N N 128.67 0.10 1 251 74 74 PHE H H 7.187 0.010 1 252 74 74 PHE CA C 55.11 0.10 1 253 74 74 PHE CB C 39.65 0.10 1 254 74 74 PHE N N 119.71 0.10 1 255 75 75 THR H H 9.153 0.010 1 256 75 75 THR CA C 67.63 0.10 1 257 75 75 THR CB C 69.83 0.10 1 258 75 75 THR N N 120.56 0.10 1 259 76 76 GLY H H 9.022 0.010 1 260 76 76 GLY CA C 45.32 0.10 1 261 76 76 GLY N N 111.78 0.10 1 262 77 77 GLU H H 8.033 0.010 1 263 77 77 GLU CA C 55.05 0.10 1 264 77 77 GLU CB C 33.08 0.10 1 265 77 77 GLU N N 122.26 0.10 1 266 78 78 ILE H H 8.849 0.010 1 267 78 78 ILE CA C 59.79 0.10 1 268 78 78 ILE CB C 42.55 0.10 1 269 78 78 ILE N N 112.75 0.10 1 270 79 79 SER H H 7.622 0.010 1 271 79 79 SER CA C 54.73 0.10 1 272 79 79 SER CB C 66.82 0.10 1 273 79 79 SER N N 115.02 0.10 1 274 80 80 PRO CA C 66.38 0.10 1 275 80 80 PRO CB C 30.85 0.10 1 276 81 81 ALA H H 8.972 0.010 1 277 81 81 ALA CA C 55.66 0.10 1 278 81 81 ALA CB C 18.00 0.10 1 279 81 81 ALA N N 119.92 0.10 1 280 82 82 MET H H 7.523 0.010 1 281 82 82 MET CA C 58.61 0.10 1 282 82 82 MET CB C 32.57 0.10 1 283 82 82 MET N N 119.21 0.10 1 284 83 83 ILE CA C 66.00 0.10 1 285 83 83 ILE CB C 38.22 0.10 1 286 84 84 LYS H H 8.546 0.010 1 287 84 84 LYS CA C 58.92 0.10 1 288 84 84 LYS CB C 32.06 0.10 1 289 84 84 LYS N N 118.18 0.10 1 290 85 85 ASP H H 7.731 0.010 1 291 85 85 ASP CA C 57.37 0.10 1 292 85 85 ASP CB C 42.01 0.10 1 293 85 85 ASP N N 121.72 0.10 1 294 86 86 ILE CA C 59.57 0.10 1 295 86 86 ILE CB C 38.14 0.10 1 296 87 87 GLY H H 7.831 0.010 1 297 87 87 GLY CA C 44.99 0.10 1 298 87 87 GLY N N 106.37 0.10 1 299 88 88 ALA H H 7.619 0.010 1 300 88 88 ALA CA C 52.58 0.10 1 301 88 88 ALA CB C 19.35 0.10 1 302 88 88 ALA N N 125.18 0.10 1 303 89 89 ALA H H 7.747 0.010 1 304 89 89 ALA CA C 52.25 0.10 1 305 89 89 ALA CB C 21.68 0.10 1 306 89 89 ALA N N 121.18 0.10 1 307 90 90 TRP H H 7.677 0.010 1 308 90 90 TRP CA C 55.37 0.10 1 309 90 90 TRP CB C 35.91 0.10 1 310 90 90 TRP N N 117.85 0.10 1 311 93 93 LEU CA C 52.71 0.10 1 312 93 93 LEU CB C 47.02 0.10 1 313 94 94 GLY H H 9.215 0.010 1 314 94 94 GLY CA C 45.91 0.10 1 315 94 94 GLY N N 107.06 0.10 1 316 95 95 HIS H H 7.547 0.010 1 317 95 95 HIS CA C 59.88 0.10 1 318 95 95 HIS CB C 32.16 0.10 1 319 95 95 HIS N N 118.47 0.10 1 320 96 96 SER CA C 62.55 0.10 1 321 96 96 SER CB C 61.73 0.10 1 322 97 97 GLU H H 10.71 0.010 1 323 97 97 GLU CA C 60.99 0.10 1 324 97 97 GLU CB C 28.01 0.10 1 325 97 97 GLU N N 124.96 0.10 1 326 98 98 ARG H H 8.063 0.010 1 327 98 98 ARG CA C 58.90 0.10 1 328 98 98 ARG CB C 25.78 0.10 1 329 98 98 ARG N N 116.48 0.10 1 330 99 99 ARG CA C 59.02 0.10 1 331 99 99 ARG CB C 29.83 0.10 1 332 100 100 HIS H H 8.644 0.010 1 333 100 100 HIS CA C 57.28 0.10 1 334 100 100 HIS CB C 30.92 0.10 1 335 100 100 HIS N N 114.18 0.10 1 336 101 101 VAL H H 7.939 0.010 1 337 101 101 VAL CA C 64.92 0.10 1 338 101 101 VAL CB C 30.89 0.10 1 339 101 101 VAL N N 119.16 0.10 1 340 102 102 PHE H H 6.624 0.010 1 341 102 102 PHE CA C 59.03 0.10 1 342 102 102 PHE CB C 39.02 0.10 1 343 102 102 PHE N N 113.67 0.10 1 344 103 103 GLY H H 6.774 0.010 1 345 103 103 GLY CA C 47.41 0.10 1 346 103 103 GLY N N 107.97 0.10 1 347 104 104 GLU H H 8.154 0.010 1 348 104 104 GLU CA C 59.22 0.10 1 349 104 104 GLU CB C 28.41 0.10 1 350 104 104 GLU N N 121.04 0.10 1 351 105 105 SER H H 8.163 0.010 1 352 105 105 SER CA C 56.75 0.10 1 353 105 105 SER CB C 66.23 0.10 1 354 105 105 SER N N 120.23 0.10 1 355 106 106 ASP H H 8.640 0.010 1 356 106 106 ASP CA C 58.96 0.10 1 357 106 106 ASP CB C 41.10 0.10 1 358 106 106 ASP N N 119.92 0.10 1 359 107 107 GLU H H 8.337 0.010 1 360 107 107 GLU CA C 59.45 0.10 1 361 107 107 GLU CB C 29.46 0.10 1 362 107 107 GLU N N 119.00 0.10 1 363 108 108 LEU H H 7.797 0.010 1 364 108 108 LEU CA C 57.71 0.10 1 365 108 108 LEU CB C 40.37 0.10 1 366 108 108 LEU N N 122.26 0.10 1 367 109 109 ILE H H 8.744 0.010 1 368 109 109 ILE CA C 66.11 0.10 1 369 109 109 ILE CB C 37.08 0.10 1 370 109 109 ILE N N 120.17 0.10 1 371 110 110 GLY H H 8.551 0.010 1 372 110 110 GLY CA C 48.14 0.10 1 373 110 110 GLY N N 106.73 0.10 1 374 111 111 GLN H H 7.608 0.010 1 375 111 111 GLN CA C 58.62 0.10 1 376 111 111 GLN CB C 27.91 0.10 1 377 111 111 GLN N N 119.24 0.10 1 378 114 114 ALA CA C 55.14 0.10 1 379 114 114 ALA CB C 18.10 0.10 1 380 115 115 HIS H H 7.670 0.010 1 381 115 115 HIS CA C 59.14 0.10 1 382 115 115 HIS CB C 28.99 0.10 1 383 115 115 HIS N N 117.03 0.10 1 384 117 117 LEU CA C 57.01 0.10 1 385 117 117 LEU CB C 41.12 0.10 1 386 118 118 ALA H H 7.906 0.010 1 387 118 118 ALA CA C 55.18 0.10 1 388 118 118 ALA CB C 17.71 0.10 1 389 118 118 ALA N N 125.10 0.10 1 390 119 119 GLU H H 7.391 0.010 1 391 119 119 GLU CA C 55.84 0.10 1 392 119 119 GLU CB C 30.71 0.10 1 393 119 119 GLU N N 115.98 0.10 1 394 120 120 GLY H H 7.479 0.010 1 395 120 120 GLY CA C 45.46 0.10 1 396 120 120 GLY N N 105.30 0.10 1 397 121 121 LEU H H 7.631 0.010 1 398 121 121 LEU CA C 53.83 0.10 1 399 121 121 LEU CB C 42.39 0.10 1 400 121 121 LEU N N 120.50 0.10 1 401 122 122 GLY H H 7.684 0.010 1 402 122 122 GLY CA C 44.84 0.10 1 403 122 122 GLY N N 106.37 0.10 1 404 127 127 ILE CA C 59.64 0.10 1 405 127 127 ILE CB C 40.14 0.10 1 406 128 128 GLY H H 9.614 0.010 1 407 128 128 GLY CA C 47.33 0.10 1 408 128 128 GLY N N 108.31 0.10 1 409 129 129 GLU CA C 55.17 0.10 1 410 129 129 GLU CB C 28.97 0.10 1 411 130 130 LYS H H 9.195 0.010 1 412 130 130 LYS CA C 55.96 0.10 1 413 130 130 LYS CB C 33.76 0.10 1 414 130 130 LYS N N 120.73 0.10 1 415 131 131 LEU H H 8.718 0.010 1 416 131 131 LEU CA C 59.03 0.10 1 417 131 131 LEU CB C 40.89 0.10 1 418 131 131 LEU N N 124.21 0.10 1 419 135 135 GLU CA C 57.19 0.10 1 420 135 135 GLU CB C 29.44 0.10 1 421 136 136 ALA CA C 52.59 0.10 1 422 136 136 ALA CB C 18.83 0.10 1 423 137 137 GLY H H 7.844 0.010 1 424 137 137 GLY CA C 46.04 0.10 1 425 137 137 GLY N N 106.32 0.10 1 426 138 138 ILE CA C 61.06 0.10 1 427 138 138 ILE CB C 37.73 0.10 1 428 139 139 THR H H 7.429 0.010 1 429 139 139 THR CA C 68.09 0.10 1 430 139 139 THR CB C 69.36 0.10 1 431 139 139 THR N N 117.22 0.10 1 432 140 140 GLU H H 8.428 0.010 1 433 140 140 GLU CA C 60.13 0.10 1 434 140 140 GLU CB C 28.71 0.10 1 435 140 140 GLU N N 117.68 0.10 1 436 146 146 GLN CA C 58.75 0.10 1 437 146 146 GLN CB C 28.80 0.10 1 438 147 147 THR H H 8.072 0.010 1 439 147 147 THR CA C 68.13 0.10 1 440 147 147 THR CB C 67.11 0.10 1 441 147 147 THR N N 117.84 0.10 1 442 148 148 LYS H H 7.882 0.010 1 443 148 148 LYS CA C 60.06 0.10 1 444 148 148 LYS CB C 31.90 0.10 1 445 148 148 LYS N N 123.91 0.10 1 446 149 149 ALA H H 7.144 0.010 1 447 149 149 ALA CA C 54.87 0.10 1 448 149 149 ALA CB C 17.97 0.10 1 449 149 149 ALA N N 118.36 0.10 1 450 150 150 ILE H H 6.991 0.010 1 451 150 150 ILE CA C 65.13 0.10 1 452 150 150 ILE CB C 38.20 0.10 1 453 150 150 ILE N N 116.90 0.10 1 454 151 151 ALA H H 9.381 0.010 1 455 151 151 ALA CA C 55.77 0.10 1 456 151 151 ALA CB C 18.93 0.10 1 457 151 151 ALA N N 122.50 0.10 1 458 152 152 ASP H H 8.760 0.010 1 459 152 152 ASP CA C 56.56 0.10 1 460 152 152 ASP CB C 40.44 0.10 1 461 152 152 ASP N N 117.22 0.10 1 462 153 153 ASN H H 8.164 0.010 1 463 153 153 ASN CA C 53.98 0.10 1 464 153 153 ASN CB C 42.54 0.10 1 465 153 153 ASN N N 117.52 0.10 1 466 154 154 VAL H H 7.281 0.010 1 467 154 154 VAL CA C 62.66 0.10 1 468 154 154 VAL CB C 33.87 0.10 1 469 154 154 VAL N N 121.04 0.10 1 470 155 155 LYS H H 7.956 0.010 1 471 155 155 LYS CA C 56.45 0.10 1 472 155 155 LYS CB C 32.65 0.10 1 473 155 155 LYS N N 125.29 0.10 1 474 156 156 ASP H H 7.403 0.010 1 475 156 156 ASP CA C 52.80 0.10 1 476 156 156 ASP CB C 41.37 0.10 1 477 156 156 ASP N N 119.71 0.10 1 478 157 157 TRP H H 8.917 0.010 1 479 157 157 TRP CA C 59.71 0.10 1 480 157 157 TRP CB C 28.83 0.10 1 481 157 157 TRP N N 126.06 0.10 1 482 158 158 SER H H 8.647 0.010 1 483 158 158 SER CA C 62.86 0.10 1 484 158 158 SER CB C 64.37 0.10 1 485 158 158 SER N N 118.58 0.10 1 486 159 159 LYS H H 8.144 0.010 1 487 159 159 LYS CA C 54.77 0.10 1 488 159 159 LYS CB C 31.59 0.10 1 489 159 159 LYS N N 122.01 0.10 1 490 160 160 VAL H H 7.207 0.010 1 491 160 160 VAL CA C 61.57 0.10 1 492 160 160 VAL CB C 33.88 0.10 1 493 160 160 VAL N N 117.66 0.10 1 494 164 164 TYR CA C 56.09 0.10 1 495 164 164 TYR CB C 38.17 0.10 1 496 165 165 GLU H H 8.991 0.010 1 497 165 165 GLU CA C 52.23 0.10 1 498 165 165 GLU CB C 31.80 0.10 1 499 165 165 GLU N N 130.91 0.10 1 500 166 166 PRO CA C 61.84 0.10 1 501 166 166 PRO CB C 31.22 0.10 1 502 167 167 GLY H H 8.521 0.010 1 503 167 167 GLY CA C 46.71 0.10 1 504 167 167 GLY N N 111.67 0.10 1 505 168 168 GLY H H 8.253 0.010 1 506 168 168 GLY CA C 45.26 0.10 1 507 168 168 GLY N N 108.87 0.10 1 508 169 169 ALA H H 8.205 0.010 1 509 169 169 ALA CA C 52.49 0.10 1 510 169 169 ALA CB C 18.86 0.10 1 511 169 169 ALA N N 123.83 0.10 1 512 170 170 ILE H H 8.087 0.010 1 513 170 170 ILE CA C 61.99 0.10 1 514 170 170 ILE CB C 37.72 0.10 1 515 170 170 ILE N N 120.20 0.10 1 516 171 171 GLY H H 8.460 0.010 1 517 171 171 GLY CA C 45.48 0.10 1 518 171 171 GLY N N 112.96 0.10 1 519 172 172 THR H H 8.008 0.010 1 520 172 172 THR CA C 62.41 0.10 1 521 172 172 THR CB C 69.90 0.10 1 522 172 172 THR N N 113.25 0.10 1 523 173 173 GLY H H 8.428 0.010 1 524 173 173 GLY CA C 45.52 0.10 1 525 173 173 GLY N N 111.21 0.10 1 526 174 174 GLY H H 8.296 0.010 1 527 174 174 GLY CA C 45.42 0.10 1 528 174 174 GLY N N 109.21 0.10 1 529 175 175 GLY H H 8.253 0.010 1 530 175 175 GLY CA C 45.26 0.10 1 531 175 175 GLY N N 108.87 0.10 1 532 176 176 GLY H H 8.118 0.010 1 533 176 176 GLY CA C 45.19 0.10 1 534 176 176 GLY N N 109.13 0.10 1 535 177 177 THR H H 8.226 0.010 1 536 177 177 THR CA C 60.79 0.10 1 537 177 177 THR CB C 69.23 0.10 1 538 177 177 THR N N 112.94 0.10 1 539 178 178 PRO CA C 65.60 0.10 1 540 178 178 PRO CB C 31.43 0.10 1 541 179 179 GLN H H 7.927 0.010 1 542 179 179 GLN CA C 59.66 0.10 1 543 179 179 GLN CB C 27.26 0.10 1 544 179 179 GLN N N 115.66 0.10 1 545 180 180 GLN H H 7.771 0.010 1 546 180 180 GLN CA C 58.88 0.10 1 547 180 180 GLN CB C 28.08 0.10 1 548 180 180 GLN N N 120.36 0.10 1 549 181 181 ALA H H 7.586 0.010 1 550 181 181 ALA CA C 55.56 0.10 1 551 181 181 ALA CB C 18.07 0.10 1 552 181 181 ALA N N 122.70 0.10 1 553 182 182 GLN H H 7.890 0.010 1 554 182 182 GLN CA C 57.86 0.10 1 555 182 182 GLN CB C 26.65 0.10 1 556 182 182 GLN N N 117.39 0.10 1 557 183 183 GLU H H 7.827 0.010 1 558 183 183 GLU CA C 59.43 0.10 1 559 183 183 GLU CB C 29.42 0.10 1 560 183 183 GLU N N 116.77 0.10 1 561 184 184 VAL H H 7.372 0.010 1 562 184 184 VAL CA C 67.03 0.10 1 563 184 184 VAL CB C 31.66 0.10 1 564 184 184 VAL N N 118.13 0.10 1 565 185 185 HIS H H 9.057 0.010 1 566 185 185 HIS CA C 62.05 0.10 1 567 185 185 HIS CB C 28.40 0.10 1 568 185 185 HIS N N 121.00 0.10 1 569 186 186 GLU H H 8.912 0.010 1 570 186 186 GLU CA C 60.03 0.10 1 571 186 186 GLU CB C 29.04 0.10 1 572 186 186 GLU N N 118.70 0.10 1 573 187 187 LYS H H 7.616 0.010 1 574 187 187 LYS CA C 59.59 0.10 1 575 187 187 LYS CB C 32.15 0.10 1 576 187 187 LYS N N 121.59 0.10 1 577 188 188 LEU H H 8.931 0.010 1 578 188 188 LEU CA C 58.05 0.10 1 579 188 188 LEU CB C 42.26 0.10 1 580 188 188 LEU N N 123.19 0.10 1 581 189 189 ARG H H 8.572 0.010 1 582 189 189 ARG CA C 61.05 0.10 1 583 189 189 ARG CB C 28.13 0.10 1 584 189 189 ARG N N 122.11 0.10 1 585 190 190 GLY H H 8.232 0.010 1 586 190 190 GLY CA C 46.91 0.10 1 587 190 190 GLY N N 105.71 0.10 1 588 191 191 TRP H H 8.333 0.010 1 589 191 191 TRP CA C 62.70 0.10 1 590 191 191 TRP CB C 32.59 0.10 1 591 191 191 TRP N N 126.82 0.10 1 592 192 192 LEU CA C 58.37 0.10 1 593 192 192 LEU CB C 41.75 0.10 1 594 193 193 LYS H H 7.997 0.010 1 595 193 193 LYS CA C 59.47 0.10 1 596 193 193 LYS CB C 31.93 0.10 1 597 193 193 LYS N N 120.64 0.10 1 598 194 194 SER H H 7.506 0.010 1 599 194 194 SER CA C 60.05 0.10 1 600 194 194 SER CB C 64.10 0.10 1 601 194 194 SER N N 109.96 0.10 1 602 195 195 HIS H H 7.909 0.010 1 603 195 195 HIS CA C 57.07 0.10 1 604 195 195 HIS CB C 27.70 0.10 1 605 195 195 HIS N N 115.25 0.10 1 606 196 196 VAL H H 7.698 0.010 1 607 196 196 VAL CA C 64.91 0.10 1 608 196 196 VAL CB C 31.82 0.10 1 609 196 196 VAL N N 121.37 0.10 1 610 197 197 SER H H 7.580 0.010 1 611 197 197 SER CA C 58.27 0.10 1 612 197 197 SER CB C 64.73 0.10 1 613 197 197 SER N N 112.01 0.10 1 614 198 198 ASP H H 8.958 0.010 1 615 198 198 ASP CA C 57.94 0.10 1 616 198 198 ASP CB C 41.42 0.10 1 617 198 198 ASP N N 122.13 0.10 1 618 199 199 ALA H H 8.291 0.010 1 619 199 199 ALA CA C 55.36 0.10 1 620 199 199 ALA CB C 17.68 0.10 1 621 199 199 ALA N N 120.98 0.10 1 622 200 200 VAL H H 7.793 0.010 1 623 200 200 VAL CA C 66.38 0.10 1 624 200 200 VAL CB C 30.93 0.10 1 625 200 200 VAL N N 120.39 0.10 1 626 201 201 ALA H H 7.909 0.010 1 627 201 201 ALA CA C 55.78 0.10 1 628 201 201 ALA CB C 18.11 0.10 1 629 201 201 ALA N N 125.47 0.10 1 630 202 202 GLN H H 8.026 0.010 1 631 202 202 GLN CA C 57.46 0.10 1 632 202 202 GLN CB C 28.34 0.10 1 633 202 202 GLN N N 110.71 0.10 1 634 203 203 SER H H 7.689 0.010 1 635 203 203 SER CA C 59.34 0.10 1 636 203 203 SER CB C 65.36 0.10 1 637 203 203 SER N N 111.80 0.10 1 638 204 204 THR H H 7.328 0.010 1 639 204 204 THR CA C 64.47 0.10 1 640 204 204 THR CB C 69.49 0.10 1 641 204 204 THR N N 121.62 0.10 1 642 205 205 ARG H H 9.312 0.010 1 643 205 205 ARG CA C 58.34 0.10 1 644 205 205 ARG CB C 28.08 0.10 1 645 205 205 ARG N N 128.33 0.10 1 646 208 208 TYR CA C 58.84 0.10 1 647 208 208 TYR CB C 39.68 0.10 1 648 209 209 GLY H H 9.532 0.010 1 649 209 209 GLY CA C 45.28 0.10 1 650 209 209 GLY N N 117.54 0.10 1 651 210 210 GLY CA C 45.04 0.10 1 652 211 211 SER H H 8.356 0.010 1 653 211 211 SER CA C 59.66 0.10 1 654 211 211 SER CB C 62.07 0.10 1 655 211 211 SER N N 114.72 0.10 1 656 212 212 VAL H H 7.784 0.010 1 657 212 212 VAL CA C 61.65 0.10 1 658 212 212 VAL CB C 33.66 0.10 1 659 212 212 VAL N N 129.97 0.10 1 660 213 213 THR H H 9.120 0.010 1 661 213 213 THR CA C 58.88 0.10 1 662 213 213 THR CB C 73.12 0.10 1 663 213 213 THR N N 118.28 0.10 1 664 214 214 GLY H H 10.05 0.010 1 665 214 214 GLY CA C 46.77 0.10 1 666 214 214 GLY N N 108.71 0.10 1 667 215 215 GLY H H 8.118 0.010 1 668 215 215 GLY CA C 46.01 0.10 1 669 215 215 GLY N N 106.49 0.10 1 670 216 216 ASN H H 7.549 0.010 1 671 216 216 ASN CA C 52.16 0.10 1 672 216 216 ASN CB C 39.22 0.10 1 673 216 216 ASN N N 117.55 0.10 1 674 217 217 CYS H H 7.607 0.010 1 675 217 217 CYS CA C 61.00 0.10 1 676 217 217 CYS CB C 27.23 0.10 1 677 217 217 CYS N N 117.68 0.10 1 678 218 218 LYS H H 8.575 0.010 1 679 218 218 LYS CA C 61.15 0.10 1 680 218 218 LYS CB C 30.88 0.10 1 681 218 218 LYS N N 125.63 0.10 1 682 219 219 GLU H H 8.491 0.010 1 683 219 219 GLU CA C 59.45 0.10 1 684 219 219 GLU CB C 29.03 0.10 1 685 219 219 GLU N N 121.01 0.10 1 686 220 220 LEU H H 7.741 0.010 1 687 220 220 LEU CA C 58.90 0.10 1 688 220 220 LEU CB C 43.83 0.10 1 689 220 220 LEU N N 120.22 0.10 1 690 221 221 ALA H H 8.486 0.010 1 691 221 221 ALA CA C 53.78 0.10 1 692 221 221 ALA CB C 18.72 0.10 1 693 221 221 ALA N N 117.41 0.10 1 694 222 222 SER H H 7.305 0.010 1 695 222 222 SER CA C 59.17 0.10 1 696 222 222 SER CB C 64.37 0.10 1 697 222 222 SER N N 110.30 0.10 1 698 223 223 GLN H H 7.422 0.010 1 699 223 223 GLN CA C 54.94 0.10 1 700 223 223 GLN CB C 26.64 0.10 1 701 223 223 GLN N N 121.64 0.10 1 702 224 224 HIS H H 8.599 0.010 1 703 224 224 HIS CA C 59.31 0.10 1 704 224 224 HIS CB C 29.44 0.10 1 705 224 224 HIS N N 121.14 0.10 1 706 225 225 ASP H H 10.17 0.010 1 707 225 225 ASP CA C 55.09 0.10 1 708 225 225 ASP CB C 41.58 0.10 1 709 225 225 ASP N N 115.93 0.10 1 710 226 226 VAL H H 7.067 0.010 1 711 226 226 VAL CA C 63.01 0.10 1 712 226 226 VAL CB C 31.66 0.10 1 713 226 226 VAL N N 120.36 0.10 1 714 227 227 ASP H H 8.491 0.010 1 715 227 227 ASP CA C 54.61 0.10 1 716 227 227 ASP CB C 42.10 0.10 1 717 227 227 ASP N N 124.42 0.10 1 718 228 228 GLY H H 6.932 0.010 1 719 228 228 GLY N N 103.33 0.10 1 720 230 230 LEU CA C 55.58 0.10 1 721 231 231 VAL H H 9.359 0.010 1 722 231 231 VAL CA C 63.13 0.10 1 723 231 231 VAL CB C 33.31 0.10 1 724 231 231 VAL N N 126.40 0.10 1 725 232 232 GLY H H 8.492 0.010 1 726 232 232 GLY CA C 44.29 0.10 1 727 232 232 GLY N N 115.89 0.10 1 728 233 233 GLY CA C 48.46 0.10 1 729 234 234 ALA H H 8.773 0.010 1 730 234 234 ALA CA C 54.60 0.10 1 731 234 234 ALA CB C 18.15 0.10 1 732 234 234 ALA N N 122.47 0.10 1 733 235 235 SER H H 8.475 0.010 1 734 235 235 SER CA C 60.59 0.10 1 735 235 235 SER CB C 62.97 0.10 1 736 235 235 SER N N 112.79 0.10 1 737 236 236 LEU H H 6.822 0.010 1 738 236 236 LEU CA C 54.45 0.10 1 739 236 236 LEU CB C 42.12 0.10 1 740 236 236 LEU N N 119.42 0.10 1 741 237 237 LYS H H 7.352 0.010 1 742 237 237 LYS CA C 53.90 0.10 1 743 237 237 LYS CB C 34.06 0.10 1 744 237 237 LYS N N 119.33 0.10 1 745 238 238 PRO CA C 65.68 0.10 1 746 238 238 PRO CB C 31.10 0.10 1 747 239 239 GLU H H 7.859 0.010 1 748 239 239 GLU CA C 57.98 0.10 1 749 239 239 GLU CB C 29.78 0.10 1 750 239 239 GLU N N 115.53 0.10 1 751 240 240 PHE H H 8.410 0.010 1 752 240 240 PHE CA C 59.60 0.10 1 753 240 240 PHE CB C 39.39 0.10 1 754 240 240 PHE N N 122.07 0.10 1 755 241 241 VAL H H 7.659 0.010 1 756 241 241 VAL CA C 66.71 0.10 1 757 241 241 VAL CB C 31.79 0.10 1 758 241 241 VAL N N 115.17 0.10 1 759 242 242 ASP H H 6.825 0.010 1 760 242 242 ASP CA C 57.42 0.10 1 761 242 242 ASP CB C 39.84 0.10 1 762 242 242 ASP N N 117.84 0.10 1 763 243 243 ILE H H 7.468 0.010 1 764 243 243 ILE CA C 65.23 0.10 1 765 243 243 ILE CB C 37.85 0.10 1 766 243 243 ILE N N 120.52 0.10 1 767 244 244 ILE H H 7.821 0.010 1 768 244 244 ILE CA C 65.92 0.10 1 769 244 244 ILE CB C 37.36 0.10 1 770 244 244 ILE N N 120.65 0.10 1 771 245 245 ASN H H 7.242 0.010 1 772 245 245 ASN CA C 52.96 0.10 1 773 245 245 ASN CB C 37.97 0.10 1 774 245 245 ASN N N 116.53 0.10 1 775 246 246 ALA H H 7.379 0.010 1 776 246 246 ALA CA C 55.76 0.10 1 777 246 246 ALA CB C 20.59 0.10 1 778 246 246 ALA N N 121.38 0.10 1 779 247 247 LYS H H 8.511 0.010 1 780 247 247 LYS CA C 55.84 0.10 1 781 247 247 LYS CB C 30.75 0.10 1 782 247 247 LYS N N 115.30 0.10 1 783 248 248 HIS H H 7.700 0.010 1 784 248 248 HIS CA C 57.08 0.10 1 785 248 248 HIS CB C 30.59 0.10 1 786 248 248 HIS N N 124.72 0.10 1 stop_ save_ save_15N_T1_600MHz _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $2H_15N_sample stop_ _Sample_conditions_label $standard_conditions _Spectrometer_frequency_1H 600 _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name 'PGG/GGG monomer 1' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 4 ARG N 1.664 0.0600 2 5 LYS N 2.128 0.116 3 6 PHE N 2.341 0.159 4 8 VAL N 3.231 0.645 5 9 GLY N 1.673 0.263 6 10 GLY N 1.987 0.218 7 11 ASN N 2.656 0.247 8 12 TRP N 1.345 0.180 9 13 LYS N 2.675 0.271 10 14 MET N 2.109 0.249 11 15 ASN N 2.392 0.295 12 16 GLY N 2.217 0.0950 13 17 ASP N 2.825 0.262 14 18 LYS N 3.456 0.477 15 19 LYS N 2.698 0.154 16 20 SER N 1.964 0.227 17 21 LEU N 2.998 0.511 18 22 GLY N 2.450 0.322 19 23 GLU N 2.594 0.169 20 24 LEU N 2.893 0.318 21 26 HIS N 2.291 0.253 22 27 THR N 2.562 0.241 23 28 LEU N 2.944 0.293 24 29 ASN N 2.612 0.162 25 30 GLY N 2.182 0.313 26 31 ALA N 2.779 0.221 27 32 LYS N 2.081 0.0750 28 33 LEU N 2.423 0.0520 29 34 SER N 2.073 0.0950 30 35 ALA N 2.061 0.228 31 36 ASP N 1.902 0.133 32 37 THR N 2.392 0.0960 33 38 GLU N 2.223 0.101 34 39 VAL N 2.292 0.0750 35 40 VAL N 2.541 0.640 36 42 GLY N 1.933 0.391 37 43 ALA N 2.625 0.573 38 46 ILE N 2.090 0.277 39 47 TYR N 1.672 0.276 40 48 LEU N 3.135 0.646 41 49 ASP N 2.510 0.635 42 50 PHE N 2.927 0.413 43 51 ALA N 1.383 0.270 44 52 ARG N 2.688 0.593 45 53 GLN N 2.951 0.381 46 54 LYS N 2.564 0.262 47 55 LEU N 1.915 0.260 48 56 ASP N 2.320 0.204 49 57 ALA N 2.245 0.0920 50 58 LYS N 2.154 0.231 51 59 ILE N 2.434 0.152 52 60 GLY N 2.575 0.124 53 61 VAL N 2.345 0.161 54 62 ALA N 1.853 0.271 55 63 ALA N 2.427 0.240 56 64 GLN N 3.797 1.02 57 65 ASN N 2.555 0.172 58 66 CYS N 3.995 0.684 59 67 TYR N 2.626 0.510 60 71 LYS N 2.252 0.125 61 72 GLY N 2.210 0.225 62 73 ALA N 2.104 0.136 63 74 PHE N 2.210 0.160 64 75 THR N 3.253 1.87 65 76 GLY N 2.346 0.381 66 77 GLU N 2.505 0.469 67 78 ILE N 2.414 0.256 68 79 SER N 2.415 0.430 69 81 ALA N 2.061 0.419 70 82 MET N 2.881 0.583 71 84 LYS N 2.904 0.595 72 85 ASP N 1.951 0.142 73 87 GLY N 2.566 0.284 74 88 ALA N 2.453 0.252 75 89 ALA N 2.194 0.232 76 90 TRP N 1.962 0.221 77 94 GLY N 2.617 0.801 78 95 HIS N 2.939 0.621 79 97 GLU N 2.119 0.440 80 98 ARG N 2.366 0.565 81 100 HIS N 2.083 0.278 82 101 VAL N 2.290 0.410 83 102 PHE N 1.812 0.380 84 103 GLY N 2.120 0.188 85 104 GLU N 2.178 0.199 86 105 SER N 3.720 0.567 87 106 ASP N 2.548 0.223 88 107 GLU N 2.294 0.300 89 108 LEU N 2.610 0.252 90 109 ILE N 2.579 0.222 91 110 GLY N 2.325 0.297 92 111 GLN N 2.219 0.123 93 115 HIS N 2.278 0.145 94 118 ALA N 2.236 0.129 95 119 GLU N 2.588 0.262 96 120 GLY N 2.467 0.161 97 121 LEU N 2.145 0.166 98 122 GLY N 2.178 0.540 99 128 GLY N 2.326 0.256 100 130 LYS N 1.919 0.360 101 131 LEU N 1.968 0.186 102 137 GLY N 2.562 0.339 103 139 THR N 1.201 0.192 104 140 GLU N 2.019 0.143 105 147 THR N 2.534 0.783 106 148 LYS N 2.757 0.330 107 149 ALA N 2.431 0.277 108 150 ILE N 2.117 0.195 109 151 ALA N 1.840 0.386 110 152 ASP N 2.309 0.267 111 153 ASN N 2.707 0.318 112 154 VAL N 2.559 0.186 113 155 LYS N 1.860 0.210 114 156 ASP N 2.488 0.190 115 157 TRP N 1.927 0.290 116 158 SER N 2.780 0.526 117 159 LYS N 1.687 0.0880 118 160 VAL N 2.769 0.119 119 165 GLU N 2.743 0.464 120 167 GLY N 1.834 0.158 121 168 GLY N 1.058 0.0350 122 169 ALA N 1.150 0.0440 123 170 ILE N 1.065 0.0290 124 171 GLY N 0.9120 0.0290 125 172 THR N 1.009 0.0570 126 173 GLY N 0.9030 0.0810 127 174 GLY N 0.8500 0.0350 128 175 GLY N 1.058 0.0340 129 176 GLY N 0.9130 0.0180 130 177 THR N 1.644 0.137 131 179 GLN N 2.048 0.136 132 180 GLN N 2.314 0.159 133 181 ALA N 2.525 0.235 134 182 GLN N 2.286 0.195 135 183 GLU N 2.212 0.181 136 184 VAL N 2.336 0.353 137 185 HIS N 2.343 0.226 138 186 GLU N 2.612 0.320 139 187 LYS N 2.482 0.258 140 188 LEU N 3.060 0.717 141 189 ARG N 2.577 0.248 142 190 GLY N 2.222 0.204 143 191 TRP N 1.721 0.322 144 193 LYS N 2.935 1.06 145 194 SER N 2.507 0.340 146 195 HIS N 2.384 0.531 147 196 VAL N 2.946 0.650 148 197 SER N 2.624 0.228 149 198 ASP N 2.102 0.773 150 199 ALA N 2.190 0.239 151 200 VAL N 2.110 0.185 152 201 ALA N 2.082 0.268 153 202 GLN N 2.533 0.311 154 203 SER N 1.718 0.329 155 204 THR N 3.529 1.24 156 205 ARG N 2.329 0.237 157 209 GLY N 3.253 0.852 158 211 SER N 2.108 0.391 159 212 VAL N 2.577 0.127 160 213 THR N 2.718 0.401 161 214 GLY N 2.906 0.171 162 215 GLY N 2.274 0.478 163 216 ASN N 2.019 0.455 164 217 CYS N 1.662 0.582 165 218 LYS N 2.512 0.211 166 219 GLU N 2.262 0.183 167 220 LEU N 2.517 0.265 168 221 ALA N 2.223 0.355 169 222 SER N 3.013 0.538 170 223 GLN N 2.585 0.253 171 224 HIS N 2.232 0.119 172 226 VAL N 2.858 0.270 173 227 ASP N 2.748 0.447 174 228 GLY N 2.570 0.862 175 231 VAL N 1.338 0.322 176 232 GLY N 2.643 0.314 177 234 ALA N 1.428 0.131 178 235 SER N 1.957 0.535 179 236 LEU N 2.161 0.268 180 237 LYS N 2.657 0.230 181 239 GLU N 2.198 0.173 182 240 PHE N 2.445 0.312 183 241 VAL N 2.229 0.174 184 242 ASP N 4.531 0.911 185 243 ILE N 1.902 0.346 186 244 ILE N 2.388 0.304 187 245 ASN N 2.232 0.172 188 246 ALA N 2.888 0.223 189 247 LYS N 2.456 0.248 190 248 HIS N 1.272 0.0450 stop_ save_ save_15N_T1_800MHz _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $2H_15N_sample stop_ _Sample_conditions_label $standard_conditions _Spectrometer_frequency_1H 800 _T1_coherence_type Nz _T1_value_units s _Mol_system_component_name 'PGG/GGG monomer 1' _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 4 ARG N 2.108 0.104 2 5 LYS N 3.158 0.280 3 6 PHE N 3.178 0.146 4 8 VAL N 2.701 0.717 5 9 GLY N 3.177 0.397 6 10 GLY N 2.879 0.542 7 11 ASN N 3.526 0.240 8 12 TRP N 2.372 0.541 9 13 LYS N 3.040 0.356 10 14 MET N 3.444 0.372 11 15 ASN N 3.353 0.247 12 16 GLY N 3.183 0.173 13 17 ASP N 3.646 0.193 14 18 LYS N 3.284 0.495 15 19 LYS N 3.087 0.310 16 20 SER N 3.701 0.620 17 21 LEU N 3.186 0.448 18 22 GLY N 3.904 0.374 19 23 GLU N 3.440 0.404 20 24 LEU N 4.561 0.581 21 26 HIS N 3.623 0.371 22 27 THR N 3.220 0.346 23 28 LEU N 2.683 0.291 24 29 ASN N 3.430 0.257 25 30 GLY N 2.828 0.461 26 31 ALA N 3.304 0.548 27 32 LYS N 2.636 0.183 28 33 LEU N 2.798 0.0960 29 34 SER N 2.412 0.101 30 35 ALA N 2.585 0.220 31 36 ASP N 2.439 0.204 32 37 THR N 2.953 0.191 33 38 GLU N 2.999 0.274 34 39 VAL N 3.340 0.100 35 40 VAL N 2.892 0.621 36 42 GLY N 5.538 1.21 37 43 ALA N 4.127 0.664 38 46 ILE N 2.612 0.304 39 47 TYR N 2.909 0.250 40 48 LEU N 3.063 0.435 41 49 ASP N 2.464 0.467 42 50 PHE N 3.250 0.417 43 51 ALA N 3.784 0.808 44 52 ARG N 2.875 0.720 45 53 GLN N 3.108 0.557 46 54 LYS N 3.091 0.454 47 55 LEU N 2.766 0.393 48 56 ASP N 3.122 0.306 49 57 ALA N 3.320 0.139 50 58 LYS N 3.052 0.382 51 59 ILE N 3.185 0.270 52 60 GLY N 3.246 0.198 53 61 VAL N 3.318 0.297 54 62 ALA N 3.191 0.244 55 63 ALA N 4.181 0.998 56 64 GLN N 4.405 1.00 57 65 ASN N 3.289 0.420 58 66 CYS N 3.989 0.386 59 67 TYR N 3.053 0.481 60 71 LYS N 2.982 0.233 61 72 GLY N 3.611 0.215 62 73 ALA N 2.943 0.183 63 74 PHE N 3.757 0.406 64 75 THR N 3.106 1.15 65 76 GLY N 3.527 0.498 66 77 GLU N 3.225 0.609 67 78 ILE N 4.037 0.624 68 79 SER N 2.981 0.311 69 81 ALA N 4.163 0.760 70 82 MET N 3.556 0.659 71 84 LYS N 3.193 0.732 72 85 ASP N 3.141 0.228 73 87 GLY N 3.584 0.492 74 88 ALA N 3.123 0.536 75 89 ALA N 3.994 0.549 76 90 TRP N 3.548 0.570 77 94 GLY N 4.694 1.51 78 95 HIS N 3.490 0.585 79 97 GLU N 2.676 0.566 80 98 ARG N 4.175 1.18 81 100 HIS N 1.985 0.432 82 101 VAL N 2.165 0.280 83 102 PHE N 2.413 1.65 84 103 GLY N 3.770 0.450 85 104 GLU N 2.252 0.203 86 105 SER N 2.625 0.139 87 106 ASP N 3.142 0.419 88 107 GLU N 2.799 0.241 89 108 LEU N 3.848 0.377 90 109 ILE N 3.911 0.823 91 110 GLY N 3.114 0.268 92 111 GLN N 3.170 0.193 93 115 HIS N 2.806 0.191 94 118 ALA N 2.628 0.141 95 119 GLU N 4.056 0.538 96 120 GLY N 2.898 0.338 97 121 LEU N 3.670 0.405 98 122 GLY N 3.193 0.759 99 128 GLY N 2.546 0.253 100 130 LYS N 3.061 1.99 101 131 LEU N 2.136 0.398 102 137 GLY N 4.416 1.56 103 139 THR N 3.991 2.51 104 140 GLU N 2.493 0.227 105 147 THR N 2.611 1.50 106 148 LYS N 2.778 0.452 107 149 ALA N 3.852 0.633 108 150 ILE N 2.807 0.282 109 151 ALA N 2.219 0.457 110 152 ASP N 3.510 0.384 111 153 ASN N 2.755 0.569 112 154 VAL N 2.823 0.220 113 155 LYS N 2.713 0.555 114 156 ASP N 2.869 0.462 115 157 TRP N 2.649 0.261 116 158 SER N 2.674 0.263 117 159 LYS N 2.410 0.242 118 160 VAL N 3.471 0.287 119 165 GLU N 2.486 0.452 120 167 GLY N 2.315 0.247 121 168 GLY N 1.131 0.0490 122 169 ALA N 1.378 0.0530 123 170 ILE N 1.243 0.0610 124 171 GLY N 1.119 0.0670 125 172 THR N 0.9860 0.0820 126 173 GLY N 0.7380 0.0540 127 174 GLY N 0.9480 0.0290 128 175 GLY N 1.131 0.0500 129 176 GLY N 1.050 0.0440 130 177 THR N 1.799 0.0780 131 179 GLN N 2.971 0.403 132 180 GLN N 2.377 0.237 133 181 ALA N 2.535 0.176 134 182 GLN N 3.509 0.427 135 183 GLU N 2.831 0.172 136 184 VAL N 3.437 0.483 137 185 HIS N 2.604 0.196 138 186 GLU N 2.747 0.308 139 187 LYS N 3.713 0.335 140 188 LEU N 6.731 2.46 141 189 ARG N 2.997 0.324 142 190 GLY N 2.276 0.301 143 191 TRP N 2.078 0.334 144 193 LYS N 3.695 0.708 145 194 SER N 3.099 0.329 146 195 HIS N 3.390 0.838 147 196 VAL N 3.782 0.630 148 197 SER N 3.684 0.341 149 198 ASP N 2.390 0.655 150 199 ALA N 2.620 0.307 151 200 VAL N 3.447 0.483 152 201 ALA N 3.025 0.590 153 202 GLN N 3.475 0.421 154 203 SER N 1.863 0.293 155 204 THR N 2.967 0.494 156 205 ARG N 3.681 0.508 157 209 GLY N 3.720 0.722 158 211 SER N 3.077 0.937 159 212 VAL N 3.453 0.189 160 213 THR N 3.533 0.356 161 214 GLY N 2.777 0.261 162 215 GLY N 9.191 9.77 163 216 ASN N 3.192 0.737 164 217 CYS N 4.037 1.82 165 218 LYS N 2.676 0.150 166 219 GLU N 2.550 0.318 167 220 LEU N 2.935 0.182 168 221 ALA N 4.150 0.372 169 222 SER N 4.120 0.831 170 223 GLN N 3.664 0.382 171 224 HIS N 3.058 0.306 172 226 VAL N 3.473 0.393 173 227 ASP N 4.278 0.618 174 228 GLY N 2.949 0.866 175 231 VAL N 2.282 0.457 176 232 GLY N 2.702 0.387 177 234 ALA N 2.639 0.364 178 235 SER N 3.783 1.93 179 236 LEU N 3.177 0.279 180 237 LYS N 3.009 0.293 181 239 GLU N 2.845 0.246 182 240 PHE N 2.649 0.209 183 241 VAL N 3.701 0.606 184 242 ASP N 3.175 0.397 185 243 ILE N 7.342 3.55 186 244 ILE N 3.121 0.533 187 245 ASN N 2.881 0.334 188 246 ALA N 4.072 0.350 189 247 LYS N 3.174 0.239 190 248 HIS N 1.529 0.0570 stop_ save_ save_15N_T2_600MHz _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $2H_15N_sample stop_ _Sample_conditions_label $standard_conditions _Spectrometer_frequency_1H 600 _T2_coherence_type Nx _T2_value_units s _Mol_system_component_name 'PGG/GGG monomer 1' _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 4 ARG N 0.02994 0.0023 . . 2 5 LYS N 0.02597 0.00098 . . 3 6 PHE N 0.02227 0.0013 . . 4 8 VAL N 0.02577 0.0019 . . 5 9 GLY N 0.02445 0.0020 . . 6 10 GLY N 0.03018 0.0021 . . 7 11 ASN N 0.02324 0.00047 . . 8 12 TRP N 0.03172 0.0054 . . 9 13 LYS N 0.02786 0.0018 . . 10 14 MET N 0.02130 0.0023 . . 11 15 ASN N 0.02678 0.0011 . . 12 16 GLY N 0.02951 0.0020 . . 13 17 ASP N 0.02352 0.0015 . . 14 18 LYS N 0.02072 0.0015 . . 15 19 LYS N 0.02299 0.0011 . . 16 20 SER N 0.01885 0.0014 . . 17 21 LEU N 0.02215 0.0020 . . 18 22 GLY N 0.02546 0.000050 . . 19 23 GLU N 0.02110 0.0011 . . 20 24 LEU N 0.02021 0.0012 . . 21 26 HIS N 0.02006 0.00071 . . 22 27 THR N 0.02248 0.0019 . . 23 28 LEU N 0.02688 0.0018 . . 24 29 ASN N 0.02354 0.00084 . . 25 30 GLY N 0.02632 0.0019 . . 26 31 ALA N 0.02081 0.0016 . . 27 32 LYS N 0.02639 0.0016 . . 28 33 LEU N 0.02208 0.0013 . . 29 34 SER N 0.02854 0.0017 . . 30 35 ALA N 0.02057 0.00070 . . 31 36 ASP N 0.02931 0.0016 . . 32 37 THR N 0.02758 0.0012 . . 33 38 GLU N 0.02108 0.0012 . . 34 39 VAL N 0.02354 0.0012 . . 35 40 VAL N 0.02893 0.0023 . . 36 42 GLY N 0.02526 0.0013 . . 37 43 ALA N 0.02485 0.0013 . . 38 46 ILE N 0.02521 0.0023 . . 39 47 TYR N 0.02016 0.0033 . . 40 48 LEU N 0.02667 0.00012 . . 41 49 ASP N 0.02206 0.0016 . . 42 50 PHE N 0.02482 0.0016 . . 43 51 ALA N 0.02302 0.0037 . . 44 52 ARG N 0.01993 0.0020 . . 45 53 GLN N 0.02524 0.000040 . . 46 54 LYS N 0.02586 0.0021 . . 47 55 LEU N 0.02630 0.0014 . . 48 56 ASP N 0.02294 0.0013 . . 49 57 ALA N 0.02416 0.0011 . . 50 58 LYS N 0.02710 0.0018 . . 51 59 ILE N 0.02234 0.0011 . . 52 60 GLY N 0.02263 0.0013 . . 53 61 VAL N 0.02561 0.0012 . . 54 62 ALA N 0.02772 0.0018 . . 55 63 ALA N 0.02556 0.0021 . . 56 64 GLN N 0.02315 0.0026 . . 57 65 ASN N 0.02525 0.0018 . . 58 66 CYS N 0.02377 0.0013 . . 59 67 TYR N 0.02558 0.0017 . . 60 71 LYS N 0.02314 0.0014 . . 61 72 GLY N 0.02696 0.000030 . . 62 73 ALA N 0.02068 0.0013 . . 63 74 PHE N 0.02636 0.0020 . . 64 75 THR N 0.01798 0.0021 . . 65 76 GLY N 0.03068 0.0041 . . 66 77 GLU N 0.02033 0.0018 . . 67 78 ILE N 0.02474 0.0017 . . 68 79 SER N 0.01963 0.0011 . . 69 81 ALA N 0.02896 0.0048 . . 70 82 MET N 0.02461 0.0019 . . 71 84 LYS N 0.02613 0.0022 . . 72 85 ASP N 0.02332 0.0014 . . 73 87 GLY N 0.02620 0.0014 . . 74 88 ALA N 0.01905 0.0012 . . 75 89 ALA N 0.02489 0.0015 . . 76 90 TRP N 0.02468 0.0020 . . 77 94 GLY N 0.02590 0.0034 . . 78 95 HIS N 0.02414 0.0020 . . 79 97 GLU N 0.02406 0.0017 . . 80 98 ARG N 0.02473 0.00014 . . 81 100 HIS N 0.02382 0.00013 . . 82 101 VAL N 0.02708 0.0061 . . 83 102 PHE N 0.02395 0.00034 . . 84 103 GLY N 0.02751 0.0016 . . 85 104 GLU N 0.02687 0.0019 . . 86 105 SER N 0.02306 0.0015 . . 87 106 ASP N 0.02410 0.0016 . . 88 107 GLU N 0.02439 0.0013 . . 89 108 LEU N 0.02507 0.0010 . . 90 109 ILE N 0.02215 0.0017 . . 91 110 GLY N 0.02287 0.0014 . . 92 111 GLN N 0.02656 0.0018 . . 93 115 HIS N 0.02358 0.0015 . . 94 118 ALA N 0.02230 0.0011 . . 95 119 GLU N 0.02458 0.0019 . . 96 120 GLY N 0.02588 0.0014 . . 97 121 LEU N 0.02359 0.0017 . . 98 122 GLY N 0.01832 0.0026 . . 99 128 GLY N 0.02355 0.0018 . . 100 130 LYS N 0.02787 0.0045 . . 101 131 LEU N 0.01937 0.0014 . . 102 137 GLY N 0.02653 0.0023 . . 103 139 THR N 0.02192 0.0037 . . 104 140 GLU N 0.01955 0.00090 . . 105 147 THR N 0.01852 0.0020 . . 106 148 LYS N 0.02334 0.0013 . . 107 149 ALA N 0.02406 0.00098 . . 108 150 ILE N 0.02480 0.0019 . . 109 151 ALA N 0.02336 0.0025 . . 110 152 ASP N 0.02876 0.0016 . . 111 153 ASN N 0.02643 0.000090 . . 112 154 VAL N 0.02348 0.0016 . . 113 155 LYS N 0.02244 0.0025 . . 114 156 ASP N 0.02511 0.0021 . . 115 157 TRP N 0.02711 0.0019 . . 116 158 SER N 0.02656 0.0023 . . 117 159 LYS N 0.03547 0.0030 . . 118 160 VAL N 0.02394 0.00082 . . 119 165 GLU N 0.02217 0.0020 . . 120 167 GLY N 0.02525 0.0015 . . 121 168 GLY N 0.04978 0.0030 . . 122 169 ALA N 0.03635 0.0030 . . 123 170 ILE N 0.04489 0.0034 . . 124 171 GLY N 0.05448 0.0031 . . 125 172 THR N 0.05628 0.000090 . . 126 173 GLY N 0.06571 0.0069 . . 127 174 GLY N 0.07155 0.0071 . . 128 175 GLY N 0.04978 0.0028 . . 129 176 GLY N 0.06511 0.0070 . . 130 177 THR N 0.03266 0.0017 . . 131 179 GLN N 0.02593 0.0012 . . 132 180 GLN N 0.02580 0.00062 . . 133 181 ALA N 0.02756 0.0018 . . 134 182 GLN N 0.02725 0.0012 . . 135 183 GLU N 0.02573 0.0018 . . 136 184 VAL N 0.02208 0.0014 . . 137 185 HIS N 0.02535 0.0015 . . 138 186 GLU N 0.02661 0.0014 . . 139 187 LYS N 0.02796 0.0021 . . 140 188 LEU N 0.02404 0.0024 . . 141 189 ARG N 0.02532 0.0017 . . 142 190 GLY N 0.02697 0.0016 . . 143 191 TRP N 0.02108 0.0017 . . 144 193 LYS N 0.03000 0.0042 . . 145 194 SER N 0.02682 0.0011 . . 146 195 HIS N 0.02615 0.0024 . . 147 196 VAL N 0.02084 0.0011 . . 148 197 SER N 0.02923 0.0019 . . 149 198 ASP N 0.03018 0.0052 . . 150 199 ALA N 0.02472 0.0021 . . 151 200 VAL N 0.02696 0.0013 . . 152 201 ALA N 0.02861 0.0014 . . 153 202 GLN N 0.02827 0.0019 . . 154 203 SER N 0.02851 0.0057 . . 155 204 THR N 0.02383 0.0019 . . 156 205 ARG N 0.01989 0.0011 . . 157 209 GLY N 0.02329 0.0027 . . 158 211 SER N 0.03714 0.0052 . . 159 212 VAL N 0.01980 0.00097 . . 160 213 THR N 0.02175 0.0014 . . 161 214 GLY N 0.02355 0.0013 . . 162 215 GLY N 0.02226 0.0029 . . 163 216 ASN N 0.02100 0.00019 . . 164 217 CYS N 0.02462 0.00025 . . 165 218 LYS N 0.02498 0.0016 . . 166 219 GLU N 0.02581 0.0015 . . 167 220 LEU N 0.02223 0.00087 . . 168 221 ALA N 0.03027 0.0032 . . 169 222 SER N 0.03131 0.0034 . . 170 223 GLN N 0.02326 0.0011 . . 171 224 HIS N 0.02449 0.0014 . . 172 225 ASP N 0.02112 0.0061 . . 173 226 VAL N 0.02117 0.0021 . . 174 227 ASP N 0.02554 0.0015 . . 175 228 GLY N 0.02458 0.0036 . . 176 231 VAL N 0.02716 0.0047 . . 177 232 GLY N 0.02502 0.0014 . . 178 234 ALA N 0.02660 0.00024 . . 179 235 SER N 0.03448 0.0025 . . 180 236 LEU N 0.02200 0.0015 . . 181 237 LYS N 0.02179 0.0014 . . 182 239 GLU N 0.02799 0.0016 . . 183 240 PHE N 0.02885 0.0012 . . 184 241 VAL N 0.02450 0.0016 . . 185 242 ASP N 0.02221 0.0023 . . 186 243 ILE N 0.02753 0.0043 . . 187 244 ILE N 0.02338 0.0014 . . 188 245 ASN N 0.02207 0.0016 . . 189 246 ALA N 0.01882 0.00078 . . 190 247 LYS N 0.02410 0.00073 . . 191 248 HIS N 0.02751 0.0020 . . stop_ save_ save_15N_T2_800MHz _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $2H_15N_sample stop_ _Sample_conditions_label $standard_conditions _Spectrometer_frequency_1H 800 _T2_coherence_type Nz _T2_value_units s _Mol_system_component_name 'PGG/GGG monomer 1' _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 4 ARG N 0.03034 0.000010 . . 2 5 LYS N 0.02158 0.0013 . . 3 6 PHE N 0.01952 0.000030 . . 4 8 VAL N 0.02312 0.00022 . . 5 9 GLY N 0.02032 0.0013 . . 6 10 GLY N 0.02134 0.0016 . . 7 11 ASN N 0.02231 0.00083 . . 8 12 TRP N 0.02159 0.00041 . . 9 13 LYS N 0.02080 0.000070 . . 10 14 MET N 0.02170 0.00018 . . 11 15 ASN N 0.02362 0.000040 . . 12 16 GLY N 0.02651 0.000020 . . 13 17 ASP N 0.01879 0.00064 . . 14 18 LYS N 0.01818 0.00010 . . 15 19 LYS N 0.02010 0.000040 . . 16 20 SER N 0.02023 0.00016 . . 17 21 LEU N 0.01550 0.00010 . . 18 22 GLY N 0.02268 0.0012 . . 19 23 GLU N 0.01756 0.000060 . . 20 24 LEU N 0.01720 0.000060 . . 21 26 HIS N 0.01876 0.000040 . . 22 27 THR N 0.01879 0.00076 . . 23 28 LEU N 0.02045 0.00092 . . 24 29 ASN N 0.01799 0.000080 . . 25 30 GLY N 0.02228 0.00013 . . 26 31 ALA N 0.01856 0.000050 . . 27 32 LYS N 0.02497 0.000010 . . 28 33 LEU N 0.02632 0.000010 . . 29 34 SER N 0.02564 0.000030 . . 30 35 ALA N 0.02298 0.000030 . . 31 36 ASP N 0.02453 0.000040 . . 32 37 THR N 0.02428 0.000020 . . 33 38 GLU N 0.02217 0.000030 . . 34 39 VAL N 0.02472 0.000020 . . 35 40 VAL N 0.02179 0.0025 . . 36 42 GLY N 0.02133 0.00012 . . 37 43 ALA N 0.02256 0.0019 . . 38 46 ILE N 0.02334 0.000090 . . 39 47 TYR N 0.01630 0.0013 . . 40 48 LEU N 0.01851 0.00014 . . 41 49 ASP N 0.01833 0.0011 . . 42 50 PHE N 0.01986 0.00054 . . 43 51 ALA N 0.01893 0.00084 . . 44 52 ARG N 0.01667 0.00024 . . 45 53 GLN N 0.01918 0.000070 . . 46 54 LYS N 0.02256 0.00010 . . 47 55 LEU N 0.02067 0.0019 . . 48 56 ASP N 0.02162 0.000060 . . 49 57 ALA N 0.02304 0.000020 . . 50 58 LYS N 0.02173 0.0011 . . 51 59 ILE N 0.02155 0.000040 . . 52 60 GLY N 0.01979 0.000030 . . 53 61 VAL N 0.02298 0.000060 . . 54 62 ALA N 0.02220 0.00011 . . 55 63 ALA N 0.02245 0.00011 . . 56 64 GLN N 0.02010 0.00017 . . 57 65 ASN N 0.02233 0.000060 . . 58 66 CYS N 0.01996 0.00059 . . 59 67 TYR N 0.02405 0.00013 . . 60 71 LYS N 0.02187 0.000050 . . 61 72 GLY N 0.02321 0.000050 . . 62 73 ALA N 0.02354 0.000020 . . 63 74 PHE N 0.02137 0.000060 . . 64 75 THR N 0.02016 0.0031 . . 65 76 GLY N 0.02085 0.000070 . . 66 77 GLU N 0.01714 0.000090 . . 67 78 ILE N 0.01929 0.000060 . . 68 79 SER N 0.01651 0.000070 . . 69 81 ALA N 0.01947 0.00016 . . 70 82 MET N 0.02128 0.00012 . . 71 84 LYS N 0.02620 0.0034 . . 72 85 ASP N 0.01919 0.000060 . . 73 87 GLY N 0.02308 0.000090 . . 74 88 ALA N 0.01752 0.00011 . . 75 89 ALA N 0.02196 0.000090 . . 76 90 TRP N 0.02024 0.00017 . . 77 94 GLY N 0.01796 0.0012 . . 78 95 HIS N 0.01774 0.000090 . . 79 97 GLU N 0.02101 0.00012 . . 80 98 ARG N 0.01828 0.0016 . . 81 100 HIS N 0.01756 0.00012 . . 82 101 VAL N 0.02373 0.00026 . . 83 102 PHE N 0.01508 0.00049 . . 84 103 GLY N 0.01935 0.000060 . . 85 104 GLU N 0.02652 0.000040 . . 86 105 SER N 0.01943 0.000030 . . 87 106 ASP N 0.02097 0.000050 . . 88 107 GLU N 0.02142 0.000040 . . 89 108 LEU N 0.01930 0.000040 . . 90 109 ILE N 0.02128 0.0020 . . 91 110 GLY N 0.02091 0.000050 . . 92 111 GLN N 0.02180 0.000050 . . 93 115 HIS N 0.01993 0.000030 . . 94 118 ALA N 0.02266 0.00079 . . 95 119 GLU N 0.02640 0.00012 . . 96 120 GLY N 0.02087 0.00012 . . 97 121 LEU N 0.01970 0.000060 . . 98 122 GLY N 0.02413 0.00076 . . 99 128 GLY N 0.02148 0.00011 . . 100 130 LYS N 0.02176 0.0024 . . 101 131 LEU N 0.01515 0.00023 . . 102 137 GLY N 0.01877 0.0012 . . 103 139 THR N 0.01780 0.0019 . . 104 140 GLU N 0.01669 0.00069 . . 105 147 THR N 0.02124 0.0025 . . 106 148 LYS N 0.02473 0.00019 . . 107 149 ALA N 0.01971 0.000080 . . 108 150 ILE N 0.02233 0.000060 . . 109 151 ALA N 0.01825 0.0015 . . 110 152 ASP N 0.02492 0.00010 . . 111 153 ASN N 0.02628 0.00021 . . 112 154 VAL N 0.02262 0.000070 . . 113 155 LYS N 0.01939 0.000070 . . 114 156 ASP N 0.02449 0.000060 . . 115 157 TRP N 0.02386 0.0013 . . 116 158 SER N 0.02233 0.00014 . . 117 159 LYS N 0.02747 0.00013 . . 118 160 VAL N 0.02072 0.000020 . . 119 165 GLU N 0.02182 0.00018 . . 120 167 GLY N 0.02136 0.000050 . . 121 168 GLY N 0.04855 0.0012 . . 122 169 ALA N 0.03370 0.000010 . . 123 170 ILE N 0.04073 0.000010 . . 124 171 GLY N 0.04353 0.000040 . . 125 172 THR N 0.04758 0.000050 . . 126 173 GLY N 0.04747 0.000080 . . 127 174 GLY N 0.05651 0.000020 . . 128 175 GLY N 0.04855 0.0013 . . 129 176 GLY N 0.06139 0.000020 . . 130 177 THR N 0.02551 0.00048 . . 131 179 GLN N 0.02127 0.000050 . . 132 180 GLN N 0.02064 0.000090 . . 133 181 ALA N 0.01986 0.000080 . . 134 182 GLN N 0.02128 0.000060 . . 135 183 GLU N 0.02386 0.000050 . . 136 184 VAL N 0.01990 0.00018 . . 137 185 HIS N 0.02269 0.00013 . . 138 186 GLU N 0.01950 0.00013 . . 139 187 LYS N 0.02207 0.00010 . . 140 188 LEU N 0.02490 0.00045 . . 141 189 ARG N 0.02044 0.0010 . . 142 190 GLY N 0.02250 0.000070 . . 143 191 TRP N 0.02850 0.00044 . . 144 193 LYS N 0.02010 0.00079 . . 145 194 SER N 0.02265 0.0011 . . 146 195 HIS N 0.02496 0.00015 . . 147 196 VAL N 0.02109 0.000090 . . 148 197 SER N 0.02357 0.000050 . . 149 198 ASP N 0.01970 0.00021 . . 150 199 ALA N 0.02219 0.000060 . . 151 200 VAL N 0.02121 0.000060 . . 152 201 ALA N 0.02038 0.000060 . . 153 202 GLN N 0.02414 0.0016 . . 154 203 SER N 0.02185 0.00030 . . 155 204 THR N 0.01964 0.00021 . . 156 205 ARG N 0.02195 0.000070 . . 157 209 GLY N 0.01910 0.00070 . . 158 211 SER N 0.02483 0.00015 . . 159 212 VAL N 0.02151 0.000020 . . 160 213 THR N 0.01920 0.000030 . . 161 214 GLY N 0.01937 0.000040 . . 162 215 GLY N 0.02321 0.0019 . . 163 216 ASN N 0.01724 0.0011 . . 164 217 CYS N 0.01923 0.0017 . . 165 218 LYS N 0.02073 0.000050 . . 166 219 GLU N 0.02220 0.00079 . . 167 220 LEU N 0.02176 0.000090 . . 168 221 ALA N 0.02249 0.000080 . . 169 222 SER N 0.02351 0.00012 . . 170 223 GLN N 0.01763 0.000050 . . 171 224 HIS N 0.02107 0.000040 . . 172 226 VAL N 0.01716 0.000070 . . 173 227 ASP N 0.02222 0.000070 . . 174 228 GLY N 0.01721 0.0043 . . 175 231 VAL N 0.02875 0.0051 . . 176 232 GLY N 0.02094 0.000030 . . 177 234 ALA N 0.02164 0.00059 . . 178 235 SER N 0.02527 0.0025 . . 179 236 LEU N 0.02180 0.00013 . . 180 237 LYS N 0.02167 0.000050 . . 181 239 GLU N 0.02198 0.000050 . . 182 240 PHE N 0.01932 0.00061 . . 183 241 VAL N 0.02307 0.0016 . . 184 242 ASP N 0.02155 0.00012 . . 185 243 ILE N 0.01770 0.0014 . . 186 244 ILE N 0.01937 0.00013 . . 187 245 ASN N 0.02086 0.000080 . . 188 246 ALA N 0.01835 0.000060 . . 189 247 LYS N 0.01823 0.000050 . . 190 248 HIS N 0.03086 0.000020 . . stop_ save_ save_1H15N_ssNOE_600MHz _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '1H-15N ssNOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $standard_conditions _Spectrometer_frequency_1H 600 _Mol_system_component_name 'PGG/GGG monomer 1' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 1.0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 4 ARG 0.453 0.0400 5 LYS 0.667 0.0600 6 PHE 0.721 0.0600 8 VAL 0.838 0.129 9 GLY 1.08 0.172 10 GLY 0.820 0.165 11 ASN 0.963 0.0860 12 TRP 0.785 0.197 13 LYS 1.03 0.122 14 MET 0.745 0.109 15 ASN 0.917 0.0790 16 GLY 0.867 0.0490 17 ASP 0.774 0.100 18 LYS 0.721 0.0960 19 LYS 0.792 0.0760 20 SER 0.953 0.168 21 LEU 0.868 0.131 22 GLY 0.852 0.101 23 GLU 0.724 0.0720 24 LEU 0.752 0.0690 26 HIS 0.946 0.0940 27 THR 0.760 0.0980 28 LEU 0.874 0.115 29 ASN 0.818 0.0980 30 GLY 0.690 0.0760 31 ALA 0.736 0.0660 32 LYS 0.707 0.0450 33 LEU 0.669 0.0400 34 SER 0.619 0.0620 35 ALA 0.706 0.0850 36 ASP 0.772 0.0930 37 THR 0.534 0.0520 38 GLU 0.839 0.0580 39 VAL 0.767 0.0460 40 VAL 0.792 0.146 42 GLY 0.921 0.120 43 ALA 0.871 0.150 46 ILE 0.484 0.0430 47 TYR 0.750 0.137 48 LEU 0.981 0.157 49 ASP 0.887 0.152 50 PHE 0.788 0.0820 51 ALA 0.976 0.184 52 ARG 0.838 0.138 53 GLN 0.708 0.0710 54 LYS 0.659 0.0740 55 LEU 0.904 0.109 56 ASP 0.863 0.0700 57 ALA 0.812 0.0510 58 LYS 0.765 0.0860 59 ILE 0.912 0.0740 60 GLY 0.870 0.0600 61 VAL 0.724 0.0670 62 ALA 0.750 0.0920 63 ALA 0.751 0.0880 64 GLN 0.833 0.137 65 ASN 1.05 0.116 66 CYS 0.731 0.0870 67 TYR 0.740 0.103 71 LYS 0.751 0.0610 72 GLY 0.869 0.0730 73 ALA 0.853 0.0600 74 PHE 0.818 0.0820 75 THR 0.765 0.174 76 GLY 0.804 0.106 77 GLU 0.890 0.115 78 ILE 0.869 0.0870 79 SER 0.799 0.0800 81 ALA 1.01 0.193 82 MET 0.670 0.105 84 LYS 0.858 0.126 85 ASP 0.896 0.0880 87 GLY 0.857 0.0720 88 ALA 0.657 0.0830 89 ALA 0.778 0.0990 90 TRP 0.779 0.121 94 GLY 0.912 0.212 95 HIS 0.820 0.115 97 GLU 0.933 0.172 98 ARG 0.980 0.198 100 HIS 0.689 0.104 101 VAL 0.653 0.122 102 PHE 0.688 0.193 103 GLY 0.866 0.0950 104 GLU 0.916 0.0710 105 SER 0.802 0.0850 106 ASP 0.713 0.0790 107 GLU 0.764 0.0880 108 LEU 0.989 0.112 109 ILE 0.780 0.116 110 GLY 0.880 0.0750 111 GLN 0.713 0.0690 115 HIS 0.851 0.0600 118 ALA 0.940 0.0780 119 GLU 0.787 0.0770 120 GLY 0.805 0.0820 121 LEU 0.691 0.0650 122 GLY 0.634 0.168 128 GLY 0.729 0.0840 130 LYS 1.26 0.328 131 LEU 0.586 0.109 137 GLY 0.809 0.147 139 THR 0.696 0.177 140 GLU 0.679 0.0820 147 THR 1.16 0.258 148 LYS 0.970 0.122 149 ALA 0.938 0.106 150 ILE 0.906 0.0950 151 ALA 0.737 0.172 152 ASP 0.750 0.0710 153 ASN 0.919 0.141 154 VAL 0.675 0.0650 155 LYS 0.801 0.164 156 ASP 0.264 0.0890 157 TRP 0.405 0.101 158 SER 0.748 0.119 159 LYS 0.394 0.0960 160 VAL 0.739 0.0470 165 GLU 0.904 0.137 167 GLY 0.526 0.0650 168 GLY 0.414 0.0250 169 ALA 0.421 0.0380 170 ILE 0.307 0.0380 171 GLY 0.433 0.0570 172 THR 0.394 0.0790 173 GLY 0.339 0.0990 174 GLY 0.193 0.0430 175 GLY 0.414 0.0250 176 GLY 0.261 0.0360 177 THR 0.607 0.0610 179 GLN 0.799 0.0890 180 GLN 0.808 0.0740 181 ALA 0.933 0.119 182 GLN 0.995 0.104 183 GLU 0.859 0.0700 184 VAL 0.685 0.0870 185 HIS 0.898 0.103 186 GLU 0.718 0.0860 187 LYS 0.771 0.0850 188 LEU 1.02 0.174 189 ARG 0.794 0.0770 190 GLY 0.950 0.0890 191 TRP 0.775 0.124 193 LYS 0.930 0.178 194 SER 0.844 0.117 195 HIS 0.777 0.126 196 VAL 0.791 0.0950 197 SER 0.650 0.0750 198 ASP 0.505 0.221 199 ALA 0.775 0.0960 200 VAL 1.00 0.101 201 ALA 1.03 0.133 202 GLN 1.01 0.151 203 SER 0.757 0.195 204 THR 0.765 0.131 205 ARG 1.03 0.107 209 GLY 0.816 0.137 211 SER 0.612 0.158 212 VAL 0.673 0.0610 213 THR 0.793 0.0720 214 GLY 0.742 0.0730 215 GLY 0.811 0.231 216 ASN 0.768 0.150 217 CYS 0.611 0.145 218 LYS 0.823 0.0850 219 GLU 0.682 0.0690 220 LEU 0.934 0.0980 221 ALA 0.839 0.0990 222 SER 0.747 0.109 223 GLN 0.685 0.0640 224 HIS 0.786 0.0640 225 ASP 0.806 0.365 226 VAL 0.905 0.0890 227 ASP 0.794 0.0720 228 GLY 0.943 0.281 231 VAL 0.840 0.207 232 GLY 0.795 0.0810 234 ALA 0.727 0.148 235 SER 0.888 0.195 236 LEU 0.920 0.136 237 LYS 0.691 0.0610 239 GLU 0.710 0.0700 240 PHE 0.612 0.102 241 VAL 0.661 0.0800 242 ASP 1.30 0.203 243 ILE 0.679 0.127 244 ILE 0.812 0.102 245 ASN 0.742 0.0870 246 ALA 0.697 0.0710 247 LYS 0.652 0.0770 248 HIS 0.375 0.0390 stop_ save_ save_1H15N_ssNOE_800MHz _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '1H-15N ssNOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $standard_conditions _Spectrometer_frequency_1H 800 _Mol_system_component_name 'PGG/GGG monomer 1' _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 1.0 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 4 ARG 0.00400 0.0410 5 LYS 0.687 0.0760 6 PHE 0.791 0.0700 8 VAL 1.09 0.199 9 GLY 1.02 0.171 10 GLY 1.02 0.213 11 ASN 0.774 0.0770 12 TRP 0.927 0.211 13 LYS 0.823 0.107 14 MET 0.708 0.109 15 ASN 0.789 0.0660 16 GLY 0.743 0.0510 17 ASP 0.589 0.0840 18 LYS 0.764 0.110 19 LYS 0.777 0.0810 20 SER 0.808 0.127 21 LEU 0.877 0.116 22 GLY 0.944 0.104 23 GLU 0.888 0.101 24 LEU 0.900 0.0950 26 HIS 0.866 0.0820 27 THR 0.711 0.0910 28 LEU 0.704 0.0930 29 ASN 0.896 0.102 30 GLY 0.791 0.0950 31 ALA 0.768 0.0750 32 LYS 0.683 0.0500 33 LEU 0.573 0.0390 34 SER 0.592 0.0660 35 ALA 0.669 0.0850 36 ASP 0.719 0.0710 37 THR 0.602 0.0610 38 GLU 0.873 0.0690 39 VAL 0.745 0.0530 40 VAL 0.871 0.197 42 GLY 0.846 0.165 43 ALA 0.800 0.119 46 ILE 0.487 0.0620 47 TYR 0.588 0.168 48 LEU 0.738 0.126 49 ASP 0.837 0.118 50 PHE 0.707 0.0820 51 ALA 1.06 0.187 52 ARG 0.996 0.188 53 GLN 0.827 0.0850 54 LYS 0.782 0.0930 55 LEU 0.741 0.109 56 ASP 0.903 0.0830 57 ALA 0.703 0.0530 58 LYS 0.826 0.0940 59 ILE 0.829 0.0720 60 GLY 0.864 0.0660 61 VAL 0.842 0.0930 62 ALA 0.945 0.131 63 ALA 0.778 0.109 64 GLN 0.789 0.135 65 ASN 0.697 0.0880 66 CYS 0.734 0.0990 67 TYR 0.954 0.152 71 LYS 0.720 0.0650 72 GLY 0.828 0.0750 73 ALA 0.856 0.0580 74 PHE 0.842 0.0860 75 THR 0.784 0.169 76 GLY 0.938 0.122 77 GLU 0.808 0.110 78 ILE 0.999 0.121 79 SER 0.882 0.106 81 ALA 0.706 0.135 82 MET 0.733 0.103 84 LYS 0.879 0.131 85 ASP 0.780 0.0670 87 GLY 0.693 0.0680 88 ALA 0.810 0.109 89 ALA 0.737 0.0960 90 TRP 0.920 0.141 94 GLY 0.942 0.182 95 HIS 0.800 0.107 97 GLU 0.943 0.136 98 ARG 0.812 0.155 100 HIS 0.777 0.119 101 VAL 0.739 0.158 102 PHE 0.813 0.198 103 GLY 0.832 0.0940 104 GLU 0.770 0.0590 105 SER 0.879 0.0930 106 ASP 0.832 0.0960 107 GLU 0.834 0.0840 108 LEU 0.897 0.112 109 ILE 0.948 0.148 110 GLY 0.793 0.0790 111 GLN 0.818 0.0750 115 HIS 0.819 0.0640 118 ALA 0.914 0.0600 119 GLU 0.685 0.0770 120 GLY 0.594 0.0780 121 LEU 0.822 0.0730 122 GLY 0.813 0.289 128 GLY 0.771 0.113 130 LYS 0.826 0.208 131 LEU 0.618 0.132 137 GLY 0.864 0.174 139 THR 0.457 0.201 140 GLU 0.688 0.0870 147 THR 0.974 0.191 148 LYS 0.811 0.101 149 ALA 0.671 0.0790 150 ILE 0.938 0.0990 151 ALA 0.644 0.186 152 ASP 1.01 0.112 153 ASN 0.975 0.130 154 VAL 0.678 0.0720 155 LYS 0.594 0.103 156 ASP 0.315 0.0840 157 TRP 0.593 0.119 158 SER 0.737 0.124 159 LYS 0.503 0.131 160 VAL 0.699 0.0500 165 GLU 1.10 0.196 167 GLY 0.658 0.0980 168 GLY 0.414 0.0230 169 ALA 0.416 0.0340 170 ILE 0.455 0.0420 171 GLY 0.476 0.0530 172 THR 0.440 0.0600 173 GLY 0.386 0.0720 174 GLY 0.420 0.0380 175 GLY 0.414 0.0230 176 GLY 0.478 0.0400 177 THR 0.557 0.0550 179 GLN 0.779 0.0790 180 GLN 0.780 0.0890 181 ALA 0.720 0.0940 182 GLN 0.913 0.0970 183 GLU 0.928 0.0840 184 VAL 0.630 0.107 185 HIS 0.770 0.0910 186 GLU 0.881 0.105 187 LYS 0.873 0.0960 188 LEU 0.975 0.183 189 ARG 0.720 0.0780 190 GLY 0.768 0.0770 191 TRP 0.709 0.112 193 LYS 0.864 0.178 194 SER 0.761 0.103 195 HIS 1.10 0.142 196 VAL 0.829 0.112 197 SER 0.798 0.102 198 ASP 0.721 0.190 199 ALA 0.635 0.0840 200 VAL 0.847 0.0860 201 ALA 0.738 0.114 202 GLN 0.810 0.109 203 SER 0.936 0.233 204 THR 0.673 0.120 205 ARG 0.866 0.101 209 GLY 0.904 0.191 211 SER 0.558 0.127 212 VAL 0.685 0.0740 213 THR 0.794 0.0750 214 GLY 0.803 0.0900 215 GLY 0.730 0.173 216 ASN 0.652 0.128 217 CYS 0.618 0.145 218 LYS 0.877 0.0950 219 GLU 0.584 0.0730 220 LEU 0.728 0.112 221 ALA 0.692 0.0850 222 SER 0.812 0.116 223 GLN 0.701 0.0800 224 HIS 0.689 0.0680 226 VAL 0.805 0.0820 227 ASP 0.906 0.0940 228 GLY 0.651 0.160 231 VAL 0.731 0.221 232 GLY 0.718 0.0840 234 ALA 0.858 0.140 235 SER 0.404 0.0520 236 LEU 0.946 0.124 237 LYS 0.797 0.0810 239 GLU 0.649 0.0680 240 PHE 0.795 0.0870 241 VAL 0.755 0.104 242 ASP 1.05 0.148 243 ILE 0.971 0.194 244 ILE 0.952 0.121 245 ASN 0.656 0.0770 246 ALA 0.717 0.0790 247 LYS 0.624 0.0650 248 HIS 0.477 0.0430 stop_ save_