data_15067 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 2-PGA-bound PGG/GGG chicken Triosephosphate Isomerase (TIM) ; _BMRB_accession_number 15067 _BMRB_flat_file_name bmr15067.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 '2-PGA-bound 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 1 T1_relaxation 1 T2_relaxation 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 177 "13C chemical shifts" 394 "15N chemical shifts" 177 "T1 relaxation values" 172 "T2 relaxation values" 172 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' 15066 'apo 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 '2-PGA bound PGG/GGG' _Enzyme_commission_number 5.3.1.1 loop_ _Mol_system_component_name _Mol_label 'PGG/GGG monomer, 1' $PGG_GGG 'PGG/GGG monomer, 2' $PGG_GGG 2-PGA $PGA 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PGG/GGG _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 15066 PGG/GGG_mono 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_ ############# # Ligands # ############# save_PGA _Saveframe_category ligand _Mol_type non-polymer _Name_common "PGA (2-PHOSPHOGLYCOLIC ACID)" _BMRB_code . _PDB_code PGA _Molecular_mass 156.031 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Oct 5 09:10:39 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? O4P O4P O . 0 . ? C2 C2 C . 0 . ? C1 C1 C . 0 . ? O1 O1 O . 0 . ? O2 O2 O . 0 . ? HOP3 HOP3 H . 0 . ? HOP4 HOP4 H . 0 . ? H21 H21 H . 0 . ? H22 H22 H . 0 . ? HO2 HO2 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 P O1P ? ? DOUB P O2P ? ? SING P O3P ? ? SING P O4P ? ? SING O1P C2 ? ? SING O3P HOP3 ? ? SING O4P HOP4 ? ? SING C2 C1 ? ? SING C2 H21 ? ? SING C2 H22 ? ? DOUB C1 O1 ? ? SING C1 O2 ? ? SING O2 HO2 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . 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 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 '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 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] $PGA 25 mM 'natural abundance' 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 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] $PGA 25 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 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_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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _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_HN(CA)CO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $2H_13C_15N_sample save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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' . . mM 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 HN(CA)CO' '3D HNCO' 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 C C 176.59 0.10 1 2 3 3 PRO CA C 63.12 0.10 1 3 4 4 ARG H H 8.404 0.010 1 4 4 4 ARG C C 175.80 0.10 1 5 4 4 ARG CA C 56.17 0.10 1 6 4 4 ARG N N 121.91 0.10 1 7 5 5 LYS H H 8.992 0.010 1 8 5 5 LYS C C 175.28 0.10 1 9 5 5 LYS CA C 57.46 0.10 1 10 5 5 LYS N N 128.31 0.10 1 11 6 6 PHE H H 8.492 0.010 1 12 6 6 PHE C C 173.71 0.10 1 13 6 6 PHE CA C 59.23 0.10 1 14 6 6 PHE N N 131.62 0.10 1 15 7 7 PHE C C 173.73 0.10 1 16 7 7 PHE CA C 53.09 0.10 1 17 8 8 VAL H H 8.668 0.010 1 18 8 8 VAL C C 173.01 0.10 1 19 8 8 VAL CA C 61.52 0.10 1 20 8 8 VAL N N 127.05 0.10 1 21 9 9 GLY H H 9.171 0.010 1 22 9 9 GLY C C 173.15 0.10 1 23 9 9 GLY CA C 42.87 0.10 1 24 9 9 GLY N N 112.32 0.10 1 25 10 10 GLY H H 9.276 0.010 1 26 10 10 GLY C C 170.83 0.10 1 27 10 10 GLY CA C 45.88 0.10 1 28 10 10 GLY N N 112.37 0.10 1 29 11 11 ASN H H 9.331 0.010 1 30 11 11 ASN C C 173.21 0.10 1 31 11 11 ASN CA C 50.99 0.10 1 32 11 11 ASN N N 124.32 0.10 1 33 12 12 TRP H H 7.722 0.010 1 34 12 12 TRP C C 174.56 0.10 1 35 12 12 TRP CA C 56.53 0.10 1 36 12 12 TRP N N 124.86 0.10 1 37 13 13 LYS H H 7.966 0.010 1 38 13 13 LYS C C 174.23 0.10 1 39 13 13 LYS CA C 57.71 0.10 1 40 13 13 LYS N N 114.92 0.10 1 41 14 14 MET H H 7.462 0.010 1 42 14 14 MET C C 173.13 0.10 1 43 14 14 MET CA C 53.83 0.10 1 44 14 14 MET N N 124.73 0.10 1 45 15 15 ASN H H 7.160 0.010 1 46 15 15 ASN C C 172.08 0.10 1 47 15 15 ASN CA C 53.00 0.10 1 48 15 15 ASN N N 118.62 0.10 1 49 16 16 GLY H H 8.198 0.010 1 50 16 16 GLY C C 171.40 0.10 1 51 16 16 GLY CA C 43.57 0.10 1 52 16 16 GLY N N 104.38 0.10 1 53 17 17 ASP H H 7.009 0.010 1 54 17 17 ASP C C 175.33 0.10 1 55 17 17 ASP CA C 51.46 0.10 1 56 17 17 ASP N N 114.34 0.10 1 57 18 18 LYS H H 9.586 0.010 1 58 18 18 LYS C C 180.07 0.10 1 59 18 18 LYS CA C 61.96 0.10 1 60 18 18 LYS N N 120.73 0.10 1 61 19 19 LYS H H 8.381 0.010 1 62 19 19 LYS C C 179.32 0.10 1 63 19 19 LYS CA C 59.86 0.10 1 64 19 19 LYS N N 120.86 0.10 1 65 20 20 SER H H 8.969 0.010 1 66 20 20 SER C C 178.92 0.10 1 67 20 20 SER CA C 61.59 0.10 1 68 20 20 SER N N 118.48 0.10 1 69 21 21 LEU H H 9.152 0.010 1 70 21 21 LEU C C 178.65 0.10 1 71 21 21 LEU CA C 57.32 0.10 1 72 21 21 LEU N N 125.03 0.10 1 73 22 22 GLY H H 8.286 0.010 1 74 22 22 GLY C C 176.27 0.10 1 75 22 22 GLY CA C 47.41 0.10 1 76 22 22 GLY N N 108.22 0.10 1 77 23 23 GLU H H 7.540 0.010 1 78 23 23 GLU C C 178.57 0.10 1 79 23 23 GLU CA C 59.52 0.10 1 80 23 23 GLU N N 122.24 0.10 1 81 24 24 LEU H H 7.500 0.010 1 82 24 24 LEU C C 179.17 0.10 1 83 24 24 LEU CA C 58.21 0.10 1 84 24 24 LEU N N 123.42 0.10 1 85 25 25 ILE C C 176.82 0.10 1 86 25 25 ILE CA C 65.97 0.10 1 87 26 26 HIS H H 8.123 0.010 1 88 26 26 HIS C C 179.03 0.10 1 89 26 26 HIS CA C 60.38 0.10 1 90 26 26 HIS N N 119.29 0.10 1 91 27 27 THR H H 8.013 0.010 1 92 27 27 THR C C 176.69 0.10 1 93 27 27 THR CA C 66.75 0.10 1 94 27 27 THR N N 117.74 0.10 1 95 28 28 LEU H H 8.223 0.010 1 96 28 28 LEU C C 178.40 0.10 1 97 28 28 LEU CA C 58.41 0.10 1 98 28 28 LEU N N 122.59 0.10 1 99 29 29 ASN H H 8.819 0.010 1 100 29 29 ASN C C 177.97 0.10 1 101 29 29 ASN CA C 54.98 0.10 1 102 29 29 ASN N N 117.18 0.10 1 103 30 30 GLY H H 7.399 0.010 1 104 30 30 GLY C C 173.79 0.10 1 105 30 30 GLY CA C 44.89 0.10 1 106 30 30 GLY N N 104.83 0.10 1 107 31 31 ALA H H 7.152 0.010 1 108 31 31 ALA C C 176.68 0.10 1 109 31 31 ALA CA C 51.80 0.10 1 110 31 31 ALA N N 124.18 0.10 1 111 32 32 LYS H H 8.495 0.010 1 112 32 32 LYS C C 175.16 0.10 1 113 32 32 LYS CA C 55.50 0.10 1 114 32 32 LYS N N 122.22 0.10 1 115 33 33 LEU H H 8.195 0.010 1 116 33 33 LEU C C 177.33 0.10 1 117 33 33 LEU CA C 53.49 0.10 1 118 33 33 LEU N N 125.92 0.10 1 119 34 34 SER H H 8.701 0.010 1 120 34 34 SER C C 176.12 0.10 1 121 34 34 SER CA C 58.83 0.10 1 122 34 34 SER N N 118.76 0.10 1 123 35 35 ALA H H 8.818 0.010 1 124 35 35 ALA C C 177.77 0.10 1 125 35 35 ALA CA C 53.95 0.10 1 126 35 35 ALA N N 129.96 0.10 1 127 36 36 ASP H H 8.022 0.010 1 128 36 36 ASP C C 174.66 0.10 1 129 36 36 ASP CA C 54.05 0.10 1 130 36 36 ASP N N 115.21 0.10 1 131 37 37 THR H H 7.255 0.010 1 132 37 37 THR C C 172.88 0.10 1 133 37 37 THR CA C 61.81 0.10 1 134 37 37 THR N N 115.58 0.10 1 135 38 38 GLU H H 9.509 0.010 1 136 38 38 GLU C C 172.57 0.10 1 137 38 38 GLU CA C 55.78 0.10 1 138 38 38 GLU N N 132.68 0.10 1 139 39 39 VAL H H 8.635 0.010 1 140 39 39 VAL C C 175.94 0.10 1 141 39 39 VAL CA C 60.84 0.10 1 142 39 39 VAL N N 126.67 0.10 1 143 41 41 CYS C C 173.03 0.10 1 144 41 41 CYS CA C 58.88 0.10 1 145 42 42 GLY H H 9.250 0.010 1 146 42 42 GLY C C 172.39 0.10 1 147 42 42 GLY CA C 45.65 0.10 1 148 42 42 GLY N N 112.69 0.10 1 149 43 43 ALA H H 7.186 0.010 1 150 43 43 ALA C C 173.54 0.10 1 151 43 43 ALA CA C 49.95 0.10 1 152 43 43 ALA N N 128.97 0.10 1 153 45 45 SER C C 176.04 0.10 1 154 45 45 SER CA C 61.24 0.10 1 155 46 46 ILE H H 5.973 0.010 1 156 46 46 ILE C C 174.04 0.10 1 157 46 46 ILE CA C 61.46 0.10 1 158 46 46 ILE N N 118.86 0.10 1 159 47 47 TYR H H 7.771 0.010 1 160 47 47 TYR C C 174.47 0.10 1 161 47 47 TYR CA C 56.85 0.10 1 162 47 47 TYR N N 118.34 0.10 1 163 48 48 LEU H H 7.195 0.010 1 164 48 48 LEU C C 176.60 0.10 1 165 48 48 LEU CA C 59.58 0.10 1 166 48 48 LEU N N 123.63 0.10 1 167 49 49 ASP H H 9.170 0.010 1 168 49 49 ASP C C 177.02 0.10 1 169 49 49 ASP CA C 57.43 0.10 1 170 49 49 ASP N N 119.30 0.10 1 171 50 50 PHE H H 8.680 0.010 1 172 50 50 PHE C C 176.15 0.10 1 173 50 50 PHE CA C 61.40 0.10 1 174 50 50 PHE N N 120.11 0.10 1 175 51 51 ALA H H 9.150 0.010 1 176 51 51 ALA C C 178.84 0.10 1 177 51 51 ALA CA C 55.12 0.10 1 178 51 51 ALA N N 118.83 0.10 1 179 52 52 ARG H H 8.567 0.010 1 180 52 52 ARG C C 179.13 0.10 1 181 52 52 ARG CA C 57.23 0.10 1 182 52 52 ARG N N 117.75 0.10 1 183 53 53 GLN H H 8.521 0.010 1 184 53 53 GLN C C 178.42 0.10 1 185 53 53 GLN CA C 58.94 0.10 1 186 53 53 GLN N N 118.74 0.10 1 187 54 54 LYS H H 7.607 0.010 1 188 54 54 LYS C C 178.54 0.10 1 189 54 54 LYS CA C 56.08 0.10 1 190 54 54 LYS N N 115.75 0.10 1 191 55 55 LEU H H 8.417 0.010 1 192 55 55 LEU C C 177.01 0.10 1 193 55 55 LEU CA C 55.95 0.10 1 194 55 55 LEU N N 123.36 0.10 1 195 56 56 ASP H H 8.977 0.010 1 196 56 56 ASP C C 176.87 0.10 1 197 56 56 ASP CA C 55.23 0.10 1 198 56 56 ASP N N 124.65 0.10 1 199 57 57 ALA H H 8.516 0.010 1 200 57 57 ALA C C 178.34 0.10 1 201 57 57 ALA CA C 55.17 0.10 1 202 57 57 ALA N N 127.75 0.10 1 203 58 58 LYS H H 8.922 0.010 1 204 58 58 LYS C C 176.06 0.10 1 205 58 58 LYS CA C 58.07 0.10 1 206 58 58 LYS N N 116.72 0.10 1 207 59 59 ILE H H 8.377 0.010 1 208 59 59 ILE C C 175.53 0.10 1 209 59 59 ILE CA C 61.08 0.10 1 210 59 59 ILE N N 123.39 0.10 1 211 60 60 GLY H H 8.885 0.010 1 212 60 60 GLY C C 171.79 0.10 1 213 60 60 GLY CA C 45.30 0.10 1 214 60 60 GLY N N 114.20 0.10 1 215 61 61 VAL H H 8.523 0.010 1 216 61 61 VAL C C 173.13 0.10 1 217 61 61 VAL CA C 61.43 0.10 1 218 61 61 VAL N N 120.27 0.10 1 219 62 62 ALA H H 8.638 0.010 1 220 62 62 ALA C C 174.18 0.10 1 221 62 62 ALA CA C 48.06 0.10 1 222 62 62 ALA N N 127.07 0.10 1 223 63 63 ALA H H 8.108 0.010 1 224 63 63 ALA C C 177.80 0.10 1 225 63 63 ALA CA C 50.52 0.10 1 226 63 63 ALA N N 120.07 0.10 1 227 64 64 GLN H H 10.11 0.010 1 228 64 64 GLN C C 172.26 0.10 1 229 64 64 GLN CA C 56.66 0.10 1 230 64 64 GLN N N 120.00 0.10 1 231 65 65 ASN H H 6.962 0.010 1 232 65 65 ASN C C 173.22 0.10 1 233 65 65 ASN CA C 52.66 0.10 1 234 65 65 ASN N N 105.82 0.10 1 235 66 66 CYS H H 7.556 0.010 1 236 66 66 CYS C C 171.53 0.10 1 237 66 66 CYS CA C 57.68 0.10 1 238 66 66 CYS N N 113.65 0.10 1 239 67 67 TYR H H 8.880 0.010 1 240 67 67 TYR C C 175.24 0.10 1 241 67 67 TYR CA C 57.44 0.10 1 242 67 67 TYR N N 117.11 0.10 1 243 70 70 PRO C C 178.73 0.10 1 244 70 70 PRO CA C 65.57 0.10 1 245 71 71 LYS H H 7.259 0.010 1 246 71 71 LYS C C 174.39 0.10 1 247 71 71 LYS CA C 54.23 0.10 1 248 71 71 LYS N N 110.97 0.10 1 249 72 72 GLY H H 8.310 0.010 1 250 72 72 GLY C C 172.84 0.10 1 251 72 72 GLY CA C 44.68 0.10 1 252 72 72 GLY N N 105.39 0.10 1 253 73 73 ALA H H 8.289 0.010 1 254 73 73 ALA C C 173.22 0.10 1 255 73 73 ALA CA C 51.02 0.10 1 256 73 73 ALA N N 128.49 0.10 1 257 74 74 PHE H H 7.196 0.010 1 258 74 74 PHE C C 173.77 0.10 1 259 74 74 PHE CA C 55.11 0.10 1 260 74 74 PHE N N 119.86 0.10 1 261 75 75 THR H H 9.177 0.010 1 262 75 75 THR C C 174.70 0.10 1 263 75 75 THR CA C 67.70 0.10 1 264 75 75 THR N N 120.57 0.10 1 265 76 76 GLY H H 9.022 0.010 1 266 76 76 GLY C C 174.44 0.10 1 267 76 76 GLY CA C 45.36 0.10 1 268 76 76 GLY N N 111.78 0.10 1 269 77 77 GLU H H 8.022 0.010 1 270 77 77 GLU C C 175.78 0.10 1 271 77 77 GLU CA C 55.07 0.10 1 272 77 77 GLU N N 122.34 0.10 1 273 78 78 ILE H H 8.826 0.010 1 274 78 78 ILE C C 173.75 0.10 1 275 78 78 ILE CA C 59.77 0.10 1 276 78 78 ILE N N 112.69 0.10 1 277 79 79 SER H H 7.629 0.010 1 278 79 79 SER C C 174.20 0.10 1 279 79 79 SER CA C 54.73 0.10 1 280 79 79 SER N N 115.06 0.10 1 281 80 80 PRO C C 176.46 0.10 1 282 80 80 PRO CA C 66.44 0.10 1 283 81 81 ALA H H 8.953 0.010 1 284 81 81 ALA C C 180.52 0.10 1 285 81 81 ALA CA C 55.66 0.10 1 286 81 81 ALA N N 119.95 0.10 1 287 82 82 MET H H 7.511 0.010 1 288 82 82 MET C C 176.87 0.10 1 289 82 82 MET CA C 58.61 0.10 1 290 82 82 MET N N 119.29 0.10 1 291 83 83 ILE C C 177.62 0.10 1 292 83 83 ILE CA C 65.84 0.10 1 293 84 84 LYS H H 8.543 0.010 1 294 84 84 LYS C C 180.69 0.10 1 295 84 84 LYS CA C 59.11 0.10 1 296 84 84 LYS N N 118.13 0.10 1 297 85 85 ASP H H 7.726 0.010 1 298 85 85 ASP C C 177.25 0.10 1 299 85 85 ASP CA C 57.37 0.10 1 300 85 85 ASP N N 121.81 0.10 1 301 86 86 ILE C C 175.83 0.10 1 302 86 86 ILE CA C 59.55 0.10 1 303 87 87 GLY H H 7.820 0.010 1 304 87 87 GLY C C 175.28 0.10 1 305 87 87 GLY CA C 45.02 0.10 1 306 87 87 GLY N N 106.38 0.10 1 307 88 88 ALA H H 7.616 0.010 1 308 88 88 ALA C C 175.30 0.10 1 309 88 88 ALA CA C 52.54 0.10 1 310 88 88 ALA N N 125.24 0.10 1 311 89 89 ALA H H 7.735 0.010 1 312 89 89 ALA C C 176.13 0.10 1 313 89 89 ALA CA C 52.04 0.10 1 314 89 89 ALA N N 121.14 0.10 1 315 90 90 TRP H H 7.675 0.010 1 316 90 90 TRP C C 175.05 0.10 1 317 90 90 TRP CA C 55.45 0.10 1 318 90 90 TRP N N 117.93 0.10 1 319 93 93 LEU C C 176.35 0.10 1 320 93 93 LEU CA C 52.87 0.10 1 321 94 94 GLY H H 9.190 0.010 1 322 94 94 GLY CA C 45.85 0.10 1 323 94 94 GLY N N 107.06 0.10 1 324 95 95 HIS H H 7.501 0.010 1 325 95 95 HIS CA C 59.89 0.10 1 326 95 95 HIS N N 118.53 0.10 1 327 96 96 SER C C 177.02 0.10 1 328 97 97 GLU H H 10.78 0.010 1 329 97 97 GLU C C 176.66 0.10 1 330 97 97 GLU N N 124.98 0.10 1 331 100 100 HIS C C 177.12 0.10 1 332 100 100 HIS CA C 57.43 0.10 1 333 101 101 VAL H H 7.911 0.010 1 334 101 101 VAL C C 177.69 0.10 1 335 101 101 VAL CA C 64.98 0.10 1 336 101 101 VAL N N 119.47 0.10 1 337 102 102 PHE H H 6.615 0.010 1 338 102 102 PHE C C 176.00 0.10 1 339 102 102 PHE CA C 59.06 0.10 1 340 102 102 PHE N N 113.63 0.10 1 341 103 103 GLY H H 6.709 0.010 1 342 103 103 GLY C C 175.23 0.10 1 343 103 103 GLY CA C 47.57 0.10 1 344 103 103 GLY N N 107.95 0.10 1 345 104 104 GLU H H 8.168 0.010 1 346 104 104 GLU C C 175.70 0.10 1 347 104 104 GLU CA C 59.16 0.10 1 348 104 104 GLU N N 121.22 0.10 1 349 105 105 SER H H 8.150 0.010 1 350 105 105 SER C C 174.33 0.10 1 351 105 105 SER CA C 56.85 0.10 1 352 105 105 SER N N 120.17 0.10 1 353 106 106 ASP H H 8.637 0.010 1 354 106 106 ASP C C 178.17 0.10 1 355 106 106 ASP CA C 58.91 0.10 1 356 106 106 ASP N N 119.95 0.10 1 357 107 107 GLU H H 8.332 0.010 1 358 107 107 GLU C C 178.56 0.10 1 359 107 107 GLU CA C 59.50 0.10 1 360 107 107 GLU N N 119.01 0.10 1 361 108 108 LEU H H 7.774 0.010 1 362 108 108 LEU C C 178.88 0.10 1 363 108 108 LEU CA C 57.74 0.10 1 364 108 108 LEU N N 122.30 0.10 1 365 109 109 ILE H H 8.718 0.010 1 366 109 109 ILE C C 178.07 0.10 1 367 109 109 ILE CA C 65.99 0.10 1 368 109 109 ILE N N 120.15 0.10 1 369 110 110 GLY H H 8.527 0.010 1 370 110 110 GLY C C 174.96 0.10 1 371 110 110 GLY CA C 48.19 0.10 1 372 110 110 GLY N N 106.70 0.10 1 373 111 111 GLN H H 7.579 0.010 1 374 111 111 GLN C C 180.66 0.10 1 375 111 111 GLN CA C 58.64 0.10 1 376 111 111 GLN N N 119.23 0.10 1 377 114 114 ALA C C 181.00 0.10 1 378 114 114 ALA CA C 55.04 0.10 1 379 115 115 HIS H H 7.663 0.010 1 380 115 115 HIS C C 175.85 0.10 1 381 115 115 HIS CA C 59.14 0.10 1 382 115 115 HIS N N 117.09 0.10 1 383 117 117 LEU C C 182.64 0.10 1 384 117 117 LEU CA C 56.99 0.10 1 385 118 118 ALA H H 7.896 0.010 1 386 118 118 ALA C C 179.87 0.10 1 387 118 118 ALA CA C 55.18 0.10 1 388 118 118 ALA N N 125.13 0.10 1 389 119 119 GLU H H 7.385 0.010 1 390 119 119 GLU C C 176.07 0.10 1 391 119 119 GLU CA C 55.83 0.10 1 392 119 119 GLU N N 115.97 0.10 1 393 120 120 GLY H H 7.467 0.010 1 394 120 120 GLY C C 175.16 0.10 1 395 120 120 GLY CA C 45.47 0.10 1 396 120 120 GLY N N 105.33 0.10 1 397 121 121 LEU H H 7.624 0.010 1 398 121 121 LEU C C 176.50 0.10 1 399 121 121 LEU CA C 53.87 0.10 1 400 121 121 LEU N N 120.50 0.10 1 401 122 122 GLY H H 7.688 0.010 1 402 122 122 GLY C C 173.87 0.10 1 403 122 122 GLY CA C 44.79 0.10 1 404 122 122 GLY N N 106.34 0.10 1 405 123 123 VAL H H 8.654 0.010 1 406 123 123 VAL CA C 57.35 0.10 1 407 123 123 VAL N N 121.51 0.10 1 408 127 127 ILE CA C 59.99 0.10 1 409 128 128 GLY H H 9.622 0.010 1 410 128 128 GLY N N 107.85 0.10 1 411 129 129 GLU C C 176.15 0.10 1 412 130 130 LYS H H 9.619 0.010 1 413 130 130 LYS CA C 55.92 0.10 1 414 130 130 LYS N N 121.18 0.10 1 415 135 135 GLU CA C 57.10 0.10 1 416 136 136 ALA CA C 52.59 0.10 1 417 148 148 LYS C C 176.75 0.10 1 418 148 148 LYS CA C 60.05 0.10 1 419 149 149 ALA H H 7.150 0.010 1 420 149 149 ALA C C 179.79 0.10 1 421 149 149 ALA CA C 54.92 0.10 1 422 149 149 ALA N N 118.49 0.10 1 423 150 150 ILE H H 7.004 0.010 1 424 150 150 ILE C C 177.22 0.10 1 425 150 150 ILE CA C 65.09 0.10 1 426 150 150 ILE N N 116.95 0.10 1 427 151 151 ALA H H 9.353 0.010 1 428 151 151 ALA C C 180.09 0.10 1 429 151 151 ALA CA C 55.81 0.10 1 430 151 151 ALA N N 122.48 0.10 1 431 152 152 ASP H H 8.728 0.010 1 432 152 152 ASP C C 176.49 0.10 1 433 152 152 ASP CA C 56.60 0.10 1 434 152 152 ASP N N 117.17 0.10 1 435 153 153 ASN H H 8.146 0.010 1 436 153 153 ASN C C 173.00 0.10 1 437 153 153 ASN CA C 54.03 0.10 1 438 153 153 ASN N N 117.48 0.10 1 439 154 154 VAL H H 7.256 0.010 1 440 154 154 VAL C C 175.13 0.10 1 441 154 154 VAL CA C 62.65 0.10 1 442 154 154 VAL N N 121.01 0.10 1 443 155 155 LYS C C 175.95 0.10 1 444 155 155 LYS CA C 56.42 0.10 1 445 156 156 ASP H H 7.399 0.010 1 446 156 156 ASP C C 175.60 0.10 1 447 156 156 ASP CA C 52.78 0.10 1 448 156 156 ASP N N 119.69 0.10 1 449 157 157 TRP H H 8.908 0.010 1 450 157 157 TRP C C 177.90 0.10 1 451 157 157 TRP CA C 59.67 0.10 1 452 157 157 TRP N N 126.09 0.10 1 453 158 158 SER H H 8.636 0.010 1 454 158 158 SER C C 175.85 0.10 1 455 158 158 SER CA C 62.86 0.10 1 456 158 158 SER N N 118.59 0.10 1 457 159 159 LYS H H 8.131 0.010 1 458 159 159 LYS C C 172.65 0.10 1 459 159 159 LYS CA C 54.81 0.10 1 460 159 159 LYS N N 122.03 0.10 1 461 160 160 VAL H H 7.194 0.010 1 462 160 160 VAL C C 174.64 0.10 1 463 160 160 VAL CA C 61.57 0.10 1 464 160 160 VAL N N 117.71 0.10 1 465 164 164 TYR C C 173.74 0.10 1 466 165 165 GLU H H 9.089 0.010 1 467 165 165 GLU C C 173.23 0.10 1 468 165 165 GLU CA C 52.47 0.10 1 469 165 165 GLU N N 130.70 0.10 1 470 166 166 PRO C C 177.58 0.10 1 471 166 166 PRO CA C 63.60 0.10 1 472 167 167 GLY H H 8.477 0.010 1 473 167 167 GLY C C 174.72 0.10 1 474 167 167 GLY CA C 45.38 0.10 1 475 167 167 GLY N N 109.89 0.10 1 476 168 168 GLY H H 8.326 0.010 1 477 168 168 GLY C C 173.50 0.10 1 478 168 168 GLY CA C 45.13 0.10 1 479 168 168 GLY N N 108.68 0.10 1 480 169 169 ALA H H 8.161 0.010 1 481 169 169 ALA C C 177.57 0.10 1 482 169 169 ALA CA C 52.39 0.10 1 483 169 169 ALA N N 123.67 0.10 1 484 170 170 ILE H H 7.970 0.010 1 485 170 170 ILE C C 176.81 0.10 1 486 170 170 ILE CA C 61.91 0.10 1 487 170 170 ILE N N 119.93 0.10 1 488 171 171 GLY H H 8.434 0.010 1 489 171 171 GLY C C 174.73 0.10 1 490 171 171 GLY CA C 45.45 0.10 1 491 171 171 GLY N N 113.69 0.10 1 492 172 172 THR H H 8.017 0.010 1 493 172 172 THR C C 175.51 0.10 1 494 172 172 THR CA C 62.24 0.10 1 495 172 172 THR N N 113.34 0.10 1 496 173 173 GLY H H 8.528 0.010 1 497 173 173 GLY C C 174.82 0.10 1 498 173 173 GLY CA C 45.70 0.10 1 499 173 173 GLY N N 111.64 0.10 1 500 174 174 GLY H H 8.290 0.010 1 501 174 174 GLY C C 174.47 0.10 1 502 174 174 GLY CA C 45.44 0.10 1 503 174 174 GLY N N 109.22 0.10 1 504 175 175 GLY H H 8.267 0.010 1 505 175 175 GLY C C 174.19 0.10 1 506 175 175 GLY CA C 45.36 0.10 1 507 175 175 GLY N N 109.01 0.10 1 508 176 176 GLY H H 8.208 0.010 1 509 176 176 GLY C C 174.35 0.10 1 510 176 176 GLY CA C 45.25 0.10 1 511 176 176 GLY N N 109.11 0.10 1 512 177 177 THR H H 8.199 0.010 1 513 177 177 THR C C 174.47 0.10 1 514 177 177 THR CA C 61.20 0.10 1 515 177 177 THR N N 113.32 0.10 1 516 178 178 PRO C C 177.21 0.10 1 517 178 178 PRO CA C 65.55 0.10 1 518 179 179 GLN H H 7.866 0.010 1 519 179 179 GLN C C 178.52 0.10 1 520 179 179 GLN CA C 59.52 0.10 1 521 179 179 GLN N N 115.64 0.10 1 522 180 180 GLN H H 7.788 0.010 1 523 180 180 GLN C C 178.82 0.10 1 524 180 180 GLN CA C 58.85 0.10 1 525 180 180 GLN N N 120.64 0.10 1 526 181 181 ALA H H 7.646 0.010 1 527 181 181 ALA C C 177.86 0.10 1 528 181 181 ALA CA C 55.47 0.10 1 529 181 181 ALA N N 122.67 0.10 1 530 182 182 GLN H H 7.859 0.010 1 531 182 182 GLN C C 177.32 0.10 1 532 182 182 GLN CA C 57.91 0.10 1 533 182 182 GLN N N 117.30 0.10 1 534 183 183 GLU H H 7.792 0.010 1 535 183 183 GLU C C 179.37 0.10 1 536 183 183 GLU CA C 59.48 0.10 1 537 183 183 GLU N N 116.84 0.10 1 538 184 184 VAL H H 7.448 0.010 1 539 184 184 VAL C C 178.16 0.10 1 540 184 184 VAL CA C 67.00 0.10 1 541 184 184 VAL N N 118.46 0.10 1 542 185 185 HIS H H 9.072 0.010 1 543 185 185 HIS C C 177.69 0.10 1 544 185 185 HIS CA C 61.99 0.10 1 545 185 185 HIS N N 121.04 0.10 1 546 186 186 GLU H H 8.884 0.010 1 547 186 186 GLU C C 180.12 0.10 1 548 186 186 GLU CA C 60.06 0.10 1 549 186 186 GLU N N 118.74 0.10 1 550 187 187 LYS H H 7.637 0.010 1 551 187 187 LYS C C 180.46 0.10 1 552 187 187 LYS CA C 59.56 0.10 1 553 187 187 LYS N N 121.69 0.10 1 554 188 188 LEU H H 8.930 0.010 1 555 188 188 LEU C C 178.27 0.10 1 556 188 188 LEU CA C 58.11 0.10 1 557 188 188 LEU N N 123.38 0.10 1 558 189 189 ARG H H 8.584 0.010 1 559 189 189 ARG C C 179.31 0.10 1 560 189 189 ARG CA C 61.07 0.10 1 561 189 189 ARG N N 122.14 0.10 1 562 190 190 GLY H H 8.238 0.010 1 563 190 190 GLY C C 176.25 0.10 1 564 190 190 GLY CA C 46.95 0.10 1 565 190 190 GLY N N 105.78 0.10 1 566 191 191 TRP H H 8.326 0.010 1 567 191 191 TRP C C 179.71 0.10 1 568 191 191 TRP CA C 62.70 0.10 1 569 191 191 TRP N N 126.81 0.10 1 570 192 192 LEU C C 178.54 0.10 1 571 192 192 LEU CA C 58.32 0.10 1 572 193 193 LYS H H 7.995 0.010 1 573 193 193 LYS C C 176.75 0.10 1 574 193 193 LYS CA C 59.43 0.10 1 575 193 193 LYS N N 120.64 0.10 1 576 194 194 SER H H 7.503 0.010 1 577 194 194 SER C C 175.51 0.10 1 578 194 194 SER CA C 60.16 0.10 1 579 194 194 SER N N 110.24 0.10 1 580 195 195 HIS H H 7.916 0.010 1 581 195 195 HIS C C 174.62 0.10 1 582 195 195 HIS CA C 57.26 0.10 1 583 195 195 HIS N N 115.50 0.10 1 584 196 196 VAL H H 7.689 0.010 1 585 196 196 VAL C C 174.52 0.10 1 586 196 196 VAL CA C 64.88 0.10 1 587 196 196 VAL N N 121.32 0.10 1 588 197 197 SER H H 7.575 0.010 1 589 197 197 SER C C 174.05 0.10 1 590 197 197 SER CA C 58.36 0.10 1 591 197 197 SER N N 112.04 0.10 1 592 198 198 ASP H H 8.933 0.010 1 593 198 198 ASP C C 177.78 0.10 1 594 198 198 ASP CA C 58.22 0.10 1 595 198 198 ASP N N 122.22 0.10 1 596 199 199 ALA H H 8.282 0.010 1 597 199 199 ALA C C 181.24 0.10 1 598 199 199 ALA CA C 55.36 0.10 1 599 199 199 ALA N N 121.08 0.10 1 600 200 200 VAL H H 7.780 0.010 1 601 200 200 VAL C C 179.21 0.10 1 602 200 200 VAL CA C 66.37 0.10 1 603 200 200 VAL N N 120.45 0.10 1 604 201 201 ALA H H 7.889 0.010 1 605 201 201 ALA C C 177.68 0.10 1 606 201 201 ALA CA C 55.71 0.10 1 607 201 201 ALA N N 125.42 0.10 1 608 202 202 GLN H H 7.986 0.010 1 609 202 202 GLN C C 178.25 0.10 1 610 202 202 GLN CA C 57.47 0.10 1 611 202 202 GLN N N 110.79 0.10 1 612 203 203 SER H H 7.681 0.010 1 613 203 203 SER C C 174.74 0.10 1 614 203 203 SER CA C 59.32 0.10 1 615 203 203 SER N N 111.76 0.10 1 616 204 204 THR H H 7.320 0.010 1 617 204 204 THR C C 172.61 0.10 1 618 204 204 THR CA C 64.51 0.10 1 619 204 204 THR N N 121.62 0.10 1 620 205 205 ARG H H 9.292 0.010 1 621 205 205 ARG C C 174.24 0.10 1 622 205 205 ARG CA C 58.30 0.10 1 623 205 205 ARG N N 128.34 0.10 1 624 208 208 TYR C C 175.99 0.10 1 625 209 209 GLY H H 9.418 0.010 1 626 209 209 GLY CA C 45.58 0.10 1 627 209 209 GLY N N 117.59 0.10 1 628 212 212 VAL C C 173.89 0.10 1 629 212 212 VAL CA C 61.86 0.10 1 630 213 213 THR H H 9.088 0.010 1 631 213 213 THR C C 175.21 0.10 1 632 213 213 THR CA C 58.89 0.10 1 633 213 213 THR N N 117.65 0.10 1 634 214 214 GLY H H 9.982 0.010 1 635 214 214 GLY C C 175.71 0.10 1 636 214 214 GLY CA C 46.84 0.10 1 637 214 214 GLY N N 108.53 0.10 1 638 215 215 GLY H H 8.139 0.010 1 639 215 215 GLY C C 174.81 0.10 1 640 215 215 GLY CA C 46.08 0.10 1 641 215 215 GLY N N 106.63 0.10 1 642 216 216 ASN H H 7.534 0.010 1 643 216 216 ASN C C 178.94 0.10 1 644 216 216 ASN CA C 52.20 0.10 1 645 216 216 ASN N N 117.55 0.10 1 646 217 217 CYS H H 7.584 0.010 1 647 217 217 CYS C C 176.17 0.10 1 648 217 217 CYS CA C 60.99 0.10 1 649 217 217 CYS N N 117.65 0.10 1 650 218 218 LYS H H 8.548 0.010 1 651 218 218 LYS C C 179.65 0.10 1 652 218 218 LYS CA C 61.30 0.10 1 653 218 218 LYS N N 125.58 0.10 1 654 219 219 GLU H H 8.500 0.010 1 655 219 219 GLU C C 180.85 0.10 1 656 219 219 GLU CA C 59.46 0.10 1 657 219 219 GLU N N 120.87 0.10 1 658 220 220 LEU H H 7.696 0.010 1 659 220 220 LEU C C 177.72 0.10 1 660 220 220 LEU CA C 58.87 0.10 1 661 220 220 LEU N N 120.28 0.10 1 662 221 221 ALA H H 8.470 0.010 1 663 221 221 ALA C C 176.84 0.10 1 664 221 221 ALA CA C 53.79 0.10 1 665 221 221 ALA N N 117.39 0.10 1 666 222 222 SER H H 7.282 0.010 1 667 222 222 SER C C 174.75 0.10 1 668 222 222 SER CA C 59.20 0.10 1 669 222 222 SER N N 110.32 0.10 1 670 223 223 GLN H H 7.407 0.010 1 671 223 223 GLN C C 177.33 0.10 1 672 223 223 GLN CA C 54.97 0.10 1 673 223 223 GLN N N 121.68 0.10 1 674 224 224 HIS H H 8.540 0.010 1 675 224 224 HIS C C 176.65 0.10 1 676 224 224 HIS CA C 59.45 0.10 1 677 224 224 HIS N N 121.42 0.10 1 678 225 225 ASP H H 10.16 0.010 1 679 225 225 ASP C C 174.36 0.10 1 680 225 225 ASP CA C 54.98 0.10 1 681 225 225 ASP N N 115.97 0.10 1 682 226 226 VAL H H 7.068 0.010 1 683 226 226 VAL C C 174.71 0.10 1 684 226 226 VAL CA C 62.99 0.10 1 685 226 226 VAL N N 120.42 0.10 1 686 227 227 ASP H H 8.476 0.010 1 687 227 227 ASP C C 171.99 0.10 1 688 227 227 ASP CA C 54.68 0.10 1 689 227 227 ASP N N 124.53 0.10 1 690 228 228 GLY H H 6.936 0.010 1 691 228 228 GLY CA C 43.25 0.10 1 692 228 228 GLY N N 103.47 0.10 1 693 230 230 LEU C C 174.54 0.10 1 694 231 231 VAL H H 9.309 0.010 1 695 231 231 VAL CA C 62.84 0.10 1 696 231 231 VAL N N 126.67 0.10 1 697 235 235 SER C C 173.97 0.10 1 698 235 235 SER CA C 60.67 0.10 1 699 236 236 LEU H H 6.843 0.010 1 700 236 236 LEU C C 175.97 0.10 1 701 236 236 LEU CA C 54.41 0.10 1 702 236 236 LEU N N 119.64 0.10 1 703 237 237 LYS H H 7.346 0.010 1 704 237 237 LYS C C 175.12 0.10 1 705 237 237 LYS CA C 54.13 0.10 1 706 237 237 LYS N N 119.42 0.10 1 707 238 238 PRO C C 178.50 0.10 1 708 238 238 PRO CA C 65.59 0.10 1 709 239 239 GLU H H 7.939 0.010 1 710 239 239 GLU C C 175.98 0.10 1 711 239 239 GLU CA C 57.97 0.10 1 712 239 239 GLU N N 114.92 0.10 1 713 240 240 PHE H H 8.403 0.010 1 714 240 240 PHE C C 177.21 0.10 1 715 240 240 PHE CA C 59.74 0.10 1 716 240 240 PHE N N 122.70 0.10 1 717 241 241 VAL H H 7.607 0.010 1 718 241 241 VAL C C 176.18 0.10 1 719 241 241 VAL CA C 66.71 0.10 1 720 241 241 VAL N N 115.06 0.10 1 721 242 242 ASP H H 6.807 0.010 1 722 242 242 ASP C C 178.36 0.10 1 723 242 242 ASP CA C 57.36 0.10 1 724 242 242 ASP N N 117.85 0.10 1 725 243 243 ILE H H 7.483 0.010 1 726 243 243 ILE C C 178.26 0.10 1 727 243 243 ILE CA C 65.23 0.10 1 728 243 243 ILE N N 120.74 0.10 1 729 244 244 ILE H H 7.795 0.010 1 730 244 244 ILE C C 176.88 0.10 1 731 244 244 ILE CA C 65.85 0.10 1 732 244 244 ILE N N 120.62 0.10 1 733 245 245 ASN H H 7.223 0.010 1 734 245 245 ASN C C 176.55 0.10 1 735 245 245 ASN CA C 52.96 0.10 1 736 245 245 ASN N N 116.62 0.10 1 737 246 246 ALA H H 7.381 0.010 1 738 246 246 ALA C C 178.06 0.10 1 739 246 246 ALA CA C 55.79 0.10 1 740 246 246 ALA N N 121.54 0.10 1 741 247 247 LYS H H 8.517 0.010 1 742 247 247 LYS C C 175.70 0.10 1 743 247 247 LYS CA C 55.93 0.10 1 744 247 247 LYS N N 115.42 0.10 1 745 248 248 HIS H H 7.661 0.010 1 746 248 248 HIS C C 179.41 0.10 1 747 248 248 HIS CA C 57.23 0.10 1 748 248 248 HIS N N 124.86 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 1.738 0.00100 2 5 LYS N 2.288 0.00400 3 6 PHE N 2.480 0.00500 4 8 VAL N 2.979 0.0330 5 9 GLY N 2.865 0.0320 6 10 GLY N 2.543 0.0390 7 11 ASN N 3.587 0.0280 8 12 TRP N 1.910 0.0970 9 13 LYS N 4.790 0.140 10 14 MET N 3.533 0.0790 11 15 ASN N 2.664 0.00800 12 16 GLY N 2.761 0.00200 13 17 ASP N 2.735 0.0140 14 18 LYS N 2.921 0.0240 15 19 LYS N 3.010 0.0100 16 20 SER N 2.621 0.0460 17 21 LEU N 3.841 0.0560 18 22 GLY N 2.739 0.0200 19 23 GLU N 2.678 0.0140 20 24 LEU N 2.403 0.0110 21 26 HIS N 2.753 0.0120 22 27 THR N 3.140 0.0230 23 28 LEU N 2.373 0.0180 24 29 ASN N 2.623 0.0160 25 30 GLY N 2.599 0.0230 26 31 ALA N 2.649 0.0100 27 32 LYS N 2.375 0.00200 28 33 LEU N 2.382 0.00100 29 34 SER N 2.284 0.00600 30 35 ALA N 2.372 0.00900 31 36 ASP N 2.167 0.0110 32 37 THR N 2.146 0.00500 33 38 GLU N 2.221 0.00400 34 39 VAL N 2.382 0.00200 35 42 GLY N 3.172 0.0230 36 43 ALA N 2.486 0.0280 37 46 ILE N 2.095 0.0160 38 47 TYR N 2.299 0.0850 39 48 LEU N 2.599 0.0480 40 49 ASP N 2.701 0.0480 41 50 PHE N 2.416 0.0120 42 51 ALA N 2.329 0.0450 43 52 ARG N 2.910 0.0440 44 53 GLN N 2.960 0.0170 45 54 LYS N 2.535 0.0230 46 55 LEU N 2.388 0.0200 47 56 ASP N 2.475 0.00800 48 57 ALA N 2.402 0.00300 49 58 LYS N 2.255 0.0110 50 59 ILE N 2.354 0.00700 51 60 GLY N 2.505 0.00400 52 61 VAL N 2.425 0.00900 53 62 ALA N 2.098 0.0120 54 63 ALA N 1.929 0.194 55 64 GLN N 2.300 0.0520 56 65 ASN N 2.846 0.0170 57 66 CYS N 2.252 0.0120 58 67 TYR N 2.078 0.0290 59 71 LYS N 2.391 0.00700 60 72 GLY N 2.427 0.00900 61 73 ALA N 2.369 0.00300 62 74 PHE N 2.448 0.203 63 75 THR N 2.011 0.0880 64 76 GLY N 2.359 0.0260 65 77 GLU N 2.417 0.0260 66 78 ILE N 2.789 0.0110 67 79 SER N 3.635 0.0360 68 81 ALA N 2.039 0.0470 69 82 MET N 2.180 0.176 70 84 LYS N 2.752 0.0310 71 85 ASP N 2.743 0.0130 72 87 GLY N 2.692 0.0240 73 88 ALA N 2.974 0.0270 74 89 ALA N 2.749 0.0220 75 90 TRP N 2.200 0.0420 76 94 GLY N 4.318 0.158 77 95 HIS N 2.217 0.299 78 101 VAL N 2.438 0.514 79 102 PHE N 1.713 0.0910 80 103 GLY N 2.285 0.0420 81 104 GLU N 1.932 0.134 82 105 SER N 2.785 0.0100 83 106 ASP N 2.293 0.0110 84 107 GLU N 2.388 0.0140 85 108 LEU N 2.319 0.0180 86 109 ILE N 2.402 0.0290 87 110 GLY N 2.675 0.0120 88 111 GLN N 2.117 0.114 89 115 HIS N 2.552 0.00600 90 118 ALA N 2.528 0.00700 91 119 GLU N 3.098 0.0220 92 120 GLY N 2.441 0.0210 93 121 LEU N 2.288 0.163 94 122 GLY N 2.473 0.0340 95 123 VAL N 0.9140 16.9 96 130 LYS N 2.635 0.660 97 149 ALA N 2.131 0.0170 98 150 ILE N 2.927 0.0590 99 151 ALA N 1.080 0.552 100 152 ASP N 2.183 0.0130 101 153 ASN N 2.324 0.0340 102 154 VAL N 2.576 0.188 103 156 ASP N 2.589 0.0210 104 157 TRP N 2.301 0.0240 105 158 SER N 2.044 0.0340 106 159 LYS N 1.896 0.0230 107 160 VAL N 2.763 0.223 108 165 GLU N 1.731 0.270 109 167 GLY N 0.6080 7.39 110 168 GLY N 1.439 0.0350 111 169 ALA N 1.568 0.233 112 170 ILE N 1.668 0.0450 113 172 THR N 1.015 0.0160 114 173 GLY N 0.8050 0.0530 115 174 GLY N 0.5190 5.39 116 175 GLY N 0.9170 0.00100 117 176 GLY N 0.9210 0.0220 118 177 THR N 1.571 0.0730 119 179 GLN N 2.005 0.0390 120 180 GLN N 2.445 0.00800 121 181 ALA N 1.315 0.478 122 182 GLN N 2.336 0.201 123 183 GLU N 2.319 0.0230 124 185 HIS N 2.439 0.0220 125 186 GLU N 2.576 0.0340 126 187 LYS N 1.635 0.0650 127 188 LEU N 2.480 0.0520 128 189 ARG N 2.633 0.0200 129 190 GLY N 2.081 0.0790 130 191 TRP N 1.980 0.0410 131 193 LYS N 2.407 0.0440 132 194 SER N 2.628 0.0330 133 195 HIS N 2.091 0.0620 134 196 VAL N 2.549 0.0290 135 197 SER N 2.281 0.0110 136 198 ASP N 2.216 0.0860 137 199 ALA N 2.313 0.0140 138 200 VAL N 2.406 0.0110 139 201 ALA N 2.225 0.0180 140 202 GLN N 2.226 0.0190 141 203 SER N 2.824 0.112 142 204 THR N 3.324 0.0740 143 205 ARG N 2.791 0.0160 144 209 GLY N 2.163 0.175 145 213 THR N 2.680 0.0150 146 214 GLY N 2.540 0.0120 147 215 GLY N 2.260 0.0320 148 216 ASN N 2.562 0.513 149 217 CYS N 2.764 0.717 150 218 LYS N 2.111 0.0110 151 219 GLU N 2.512 0.0110 152 220 LEU N 2.356 0.0700 153 221 ALA N 2.651 0.0340 154 222 SER N 2.464 0.0320 155 223 GLN N 3.060 0.0130 156 224 HIS N 2.330 0.00500 157 226 VAL N 2.772 0.196 158 227 ASP N 2.364 0.0530 159 228 GLY N 2.354 0.0840 160 231 VAL N 2.138 0.0860 161 236 LEU N 1.929 0.0280 162 237 LYS N 2.461 0.0150 163 239 GLU N 2.382 0.00600 164 240 PHE N 2.239 0.00900 165 241 VAL N 2.481 0.00900 166 242 ASP N 2.451 0.322 167 243 ILE N 2.986 0.0630 168 244 ILE N 2.765 0.0260 169 245 ASN N 2.489 0.188 170 246 ALA N 3.179 0.0140 171 247 LYS N 2.275 0.0120 172 248 HIS N 1.206 0.00300 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 0.04302 0.000010 . . 2 5 LYS N 0.02736 0.000020 . . 3 6 PHE N 0.02352 0.000010 . . 4 8 VAL N 0.02693 0.000070 . . 5 9 GLY N 0.02055 0.000060 . . 6 10 GLY N 0.02818 0.00011 . . 7 11 ASN N 0.02533 0.000070 . . 8 12 TRP N 0.03480 0.00065 . . 9 13 LYS N 0.02702 0.00020 . . 10 14 MET N 0.02266 0.00013 . . 11 15 ASN N 0.02555 0.000030 . . 12 16 GLY N 0.02981 0.000010 . . 13 17 ASP N 0.02627 0.000060 . . 14 18 LYS N 0.02248 0.000080 . . 15 19 LYS N 0.02102 0.000020 . . 16 20 SER N 0.02151 0.00013 . . 17 21 LEU N 0.01994 0.00010 . . 18 22 GLY N 0.02709 0.000070 . . 19 23 GLU N 0.02290 0.000050 . . 20 24 LEU N 0.02228 0.000040 . . 21 26 HIS N 0.02230 0.000030 . . 22 27 THR N 0.02323 0.000070 . . 23 28 LEU N 0.02378 0.000070 . . 24 29 ASN N 0.02371 0.000060 . . 25 30 GLY N 0.02601 0.000070 . . 26 31 ALA N 0.02440 0.000030 . . 27 32 LYS N 0.03268 0.000010 . . 28 33 LEU N 0.03034 0 . . 29 34 SER N 0.03066 0.000030 . . 30 35 ALA N 0.02761 0.000040 . . 31 36 ASP N 0.02834 0.000050 . . 32 37 THR N 0.02861 0.000020 . . 33 38 GLU N 0.02597 0.000020 . . 34 39 VAL N 0.02458 0.000010 . . 35 42 GLY N 0.02860 0.000050 . . 36 43 ALA N 0.02336 0.000060 . . 37 46 ILE N 0.02523 0.0025 . . 38 47 TYR N 0.02129 0.00021 . . 39 48 LEU N 0.02460 0.00016 . . 40 49 ASP N 0.01952 0.00018 . . 41 50 PHE N 0.02445 0.000040 . . 42 51 ALA N 0.01852 0.00015 . . 43 52 ARG N 0.02985 0.00024 . . 44 53 GLN N 0.02448 0.000050 . . 45 54 LYS N 0.02582 0.000070 . . 46 55 LEU N 0.02495 0.000070 . . 47 56 ASP N 0.02710 0.000030 . . 48 57 ALA N 0.02540 0.000010 . . 49 58 LYS N 0.02786 0.000040 . . 50 59 ILE N 0.02457 0.000030 . . 51 60 GLY N 0.02489 0.000010 . . 52 61 VAL N 0.02608 0.000030 . . 53 62 ALA N 0.03179 0.000050 . . 54 63 ALA N 0.02619 0.000040 . . 55 64 GLN N 0.02340 0.00020 . . 56 65 ASN N 0.02183 0.000040 . . 57 66 CYS N 0.02422 0.000040 . . 58 67 TYR N 0.02452 0.00012 . . 59 71 LYS N 0.02515 0.000020 . . 60 72 GLY N 0.02700 0.000030 . . 61 73 ALA N 0.02703 0.000010 . . 62 74 PHE N 0.02698 0.000060 . . 63 75 THR N 0.02046 0.00029 . . 64 76 GLY N 0.02412 0.0022 . . 65 77 GLU N 0.02134 0.000060 . . 66 78 ILE N 0.02511 0.000040 . . 67 79 SER N 0.02333 0.00011 . . 68 81 ALA N 0.02145 0.00019 . . 69 82 MET N 0.02329 0.00011 . . 70 84 LYS N 0.02275 0.00012 . . 71 85 ASP N 0.02502 0.000050 . . 72 87 GLY N 0.02867 0.00010 . . 73 88 ALA N 0.02307 0.000070 . . 74 89 ALA N 0.02550 0.0032 . . 75 90 TRP N 0.02139 0.00016 . . 76 94 GLY N 0.02445 0.00039 . . 77 95 HIS N 0.03319 0.0042 . . 78 101 VAL N 0.02252 0.00023 . . 79 102 PHE N 0.03917 0.0019 . . 80 103 GLY N 0.03580 0.00035 . . 81 104 GLU N 0.02909 0.000030 . . 82 105 SER N 0.01978 0.000020 . . 83 106 ASP N 0.02722 0.000040 . . 84 107 GLU N 0.02575 0.000050 . . 85 108 LEU N 0.02610 0.000080 . . 86 109 ILE N 0.02279 0.000080 . . 87 110 GLY N 0.02850 0.000050 . . 88 111 GLN N 0.02638 0.000040 . . 89 115 HIS N 0.02649 0.0010 . . 90 118 ALA N 0.02571 0.000030 . . 91 119 GLU N 0.02942 0.000080 . . 92 120 GLY N 0.02716 0.000080 . . 93 121 LEU N 0.02397 0.000030 . . 94 122 GLY N 0.02679 0.00013 . . 95 123 VAL N 0.1345 0.35 . . 96 130 LYS N 0.01938 0.00065 . . 97 149 ALA N 0.02613 0.00015 . . 98 150 ILE N 0.02974 0.00026 . . 99 151 ALA N 0.01389 0.00066 . . 100 152 ASP N 0.02473 0.000050 . . 101 153 ASN N 0.02251 0.00011 . . 102 154 VAL N 0.02666 0.000030 . . 103 156 ASP N 0.03022 0.000090 . . 104 157 TRP N 0.03006 0.00015 . . 105 158 SER N 0.02521 0.00014 . . 106 159 LYS N 0.03156 0.00011 . . 107 160 VAL N 0.02335 0.000020 . . 108 165 GLU N 0.01672 0.00042 . . 109 167 GLY N 0.02244 0.0013 . . 110 168 GLY N 0.02872 0.00016 . . 111 169 ALA N 0.04459 0.00033 . . 112 170 ILE N 0.04507 0.00027 . . 113 172 THR N 0.05307 0.0063 . . 114 173 GLY N 0.07464 0.00020 . . 115 174 GLY N 0.07156 0.0011 . . 116 175 GLY N 0.08335 0.000010 . . 117 176 GLY N 0.1179 0.00033 . . 118 177 THR N 0.02824 0.000030 . . 119 179 GLN N 0.02391 0.00016 . . 120 180 GLN N 0.02699 0.000030 . . 121 181 ALA N 0.02144 0.0010 . . 122 182 GLN N 0.02547 0.000050 . . 123 183 GLU N 0.02649 0.000080 . . 124 185 HIS N 0.02541 0.00010 . . 125 186 GLU N 0.02769 0.00013 . . 126 187 LYS N 0.02414 0.00022 . . 127 188 LEU N 0.02111 0.00014 . . 128 189 ARG N 0.02526 0.000060 . . 129 190 GLY N 0.02386 0.00024 . . 130 191 TRP N 0.02647 0.00021 . . 131 193 LYS N 0.02791 0.00023 . . 132 194 SER N 0.02558 0.00010 . . 133 195 HIS N 0.03795 0.00058 . . 134 196 VAL N 0.02241 0.00011 . . 135 197 SER N 0.03018 0.000050 . . 136 198 ASP N 0.02202 0.00024 . . 137 199 ALA N 0.03001 0.000080 . . 138 200 VAL N 0.02558 0.000050 . . 139 201 ALA N 0.02956 0.000090 . . 140 202 GLN N 0.02918 0.0032 . . 141 203 SER N 0.02873 0.00041 . . 142 204 THR N 0.01944 0.000090 . . 143 205 ARG N 0.02352 0.000050 . . 144 209 GLY N 0.02344 0.00088 . . 145 213 THR N 0.02252 0.000050 . . 146 214 GLY N 0.02575 0.000050 . . 147 215 GLY N 0.01907 0.00011 . . 148 216 ASN N 0.02037 0.00045 . . 149 217 CYS N 0.03804 0.0013 . . 150 218 LYS N 0.02690 0.000040 . . 151 219 GLU N 0.02986 0.000060 . . 152 220 LEU N 0.02452 0.00030 . . 153 221 ALA N 0.03140 0.00016 . . 154 222 SER N 0.02294 0.00011 . . 155 223 GLN N 0.02518 0.000040 . . 156 224 HIS N 0.02658 0.000020 . . 157 226 VAL N 0.02437 0.000040 . . 158 227 ASP N 0.02910 0.00041 . . 159 228 GLY N 0.02081 0.00027 . . 160 231 VAL N 0.03014 0.00030 . . 161 236 LEU N 0.02685 0.00012 . . 162 237 LYS N 0.02535 0.000050 . . 163 239 GLU N 0.02637 0.000020 . . 164 240 PHE N 0.02162 0.000030 . . 165 241 VAL N 0.02235 0.000030 . . 166 242 ASP N 0.02531 0.000070 . . 167 243 ILE N 0.02241 0.00024 . . 168 244 ILE N 0.03655 0.00025 . . 169 245 ASN N 0.03004 0.000080 . . 170 246 ALA N 0.02148 0.000030 . . 171 247 LYS N 0.02455 0.000050 . . 172 248 HIS N 0.03694 0.000010 . . 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 -0.159 0.0590 5 LYS 0.918 0.127 6 PHE 0.716 0.0850 8 VAL 0.854 0.170 9 GLY 0.957 0.196 10 GLY 0.828 0.202 11 ASN 0.886 0.154 12 TRP 0.559 0.279 13 LYS 1.12 0.209 14 MET 0.589 0.141 15 ASN 0.869 0.100 16 GLY 0.875 0.0690 17 ASP 0.742 0.178 18 LYS 0.874 0.182 19 LYS 0.743 0.119 20 SER 0.851 0.237 21 LEU 0.862 0.191 22 GLY 0.754 0.144 23 GLU 0.716 0.118 24 LEU 0.628 0.100 26 HIS 0.758 0.111 27 THR 0.822 0.172 28 LEU 0.893 0.189 29 ASN 1.03 0.156 30 GLY 0.712 0.120 31 ALA 0.764 0.102 32 LYS 0.684 0.0650 33 LEU 0.580 0.0490 34 SER 0.537 0.0860 35 ALA 0.610 0.116 36 ASP 0.707 0.153 37 THR 0.639 0.0890 38 GLU 0.732 0.0790 39 VAL 0.736 0.0650 42 GLY 0.694 0.129 43 ALA 0.697 0.143 46 ILE 0.441 0.0720 47 TYR 0.658 0.226 48 LEU 0.762 0.171 49 ASP 1.09 0.322 50 PHE 0.653 0.110 51 ALA 1.04 0.275 52 ARG 0.616 0.180 53 GLN 0.833 0.128 54 LYS 0.825 0.147 55 LEU 0.822 0.156 56 ASP 0.999 0.127 57 ALA 0.797 0.0730 58 LYS 0.627 0.111 59 ILE 0.778 0.0930 60 GLY 0.848 0.0890 61 VAL 0.792 0.113 62 ALA 0.977 0.177 63 ALA 0.948 0.167 64 GLN 0.802 0.201 65 ASN 0.822 0.131 66 CYS 0.997 0.164 67 TYR 0.925 0.198 71 LYS 0.772 0.0930 72 GLY 0.810 0.0980 73 ALA 0.849 0.0780 74 PHE 0.678 0.105 75 THR 1.04 0.325 76 GLY 1.01 0.200 77 GLU 0.913 0.186 78 ILE 0.888 0.133 79 SER 1.45 0.212 81 ALA 1.33 0.400 82 MET 1.06 0.248 84 LYS 0.936 0.198 85 ASP 0.826 0.125 87 GLY 0.943 0.157 88 ALA 0.973 0.178 89 ALA 0.764 0.150 90 TRP 0.710 0.199 94 GLY 1.01 0.324 95 HIS 0.827 0.395 101 VAL 0.829 0.353 102 PHE 3.07 2.97 103 GLY 2.67 1.46 104 GLU 0.869 0.105 105 SER 1.04 0.189 106 ASP 0.869 0.149 107 GLU 1.02 0.191 108 LEU 0.909 0.192 109 ILE 1.19 0.286 110 GLY 0.732 0.0920 111 GLN 0.839 0.131 115 HIS 0.820 0.0980 118 ALA 0.935 0.111 119 GLU 0.792 0.132 120 GLY 0.736 0.116 121 LEU 0.637 0.0810 122 GLY 0.800 0.237 123 VAL 0.275 0.384 130 LYS 0.938 0.623 149 ALA 0.707 0.111 150 ILE 1.15 0.351 151 ALA 1.33 2.88 152 ASP 0.710 0.109 153 ASN 1.11 0.282 154 VAL 0.783 0.112 156 ASP 0.119 0.116 157 TRP 0.719 0.237 158 SER 0.796 0.186 159 LYS 0.560 0.208 160 VAL 0.812 0.109 165 GLU 0.316 0.292 167 GLY -3.50 7.95 168 GLY 0.456 0.187 169 ALA 0.365 0.228 170 ILE 0.605 0.211 172 THR 0.232 0.0790 173 GLY 0.362 0.100 174 GLY -0.204 0.422 175 GLY 0.271 0.0240 176 GLY 0.391 0.110 177 THR 0.579 0.129 179 GLN 0.874 0.262 180 GLN 0.871 0.0980 181 ALA 0.461 0.877 182 GLN 0.858 0.157 183 GLU 1.05 0.228 185 HIS 1.05 0.227 186 GLU 0.659 0.141 187 LYS 0.870 0.281 188 LEU 0.959 0.264 189 ARG 0.895 0.145 190 GLY 1.50 0.620 191 TRP 0.829 0.227 193 LYS 1.13 0.361 194 SER 0.717 0.172 195 HIS 0.912 0.276 196 VAL 0.742 0.185 197 SER 0.676 0.117 198 ASP 0.846 0.337 199 ALA 0.834 0.173 200 VAL 0.848 0.122 201 ALA 0.882 0.196 202 GLN 0.918 0.182 203 SER 0.694 0.254 204 THR 0.707 0.208 205 ARG 1.07 0.179 209 GLY 0.702 0.271 213 THR 0.938 0.155 214 GLY 0.788 0.136 215 GLY 0.766 0.207 216 ASN 0.517 0.216 217 CYS 0.638 0.274 218 LYS 0.722 0.123 219 GLU 0.639 0.124 220 LEU 0.592 0.296 221 ALA 0.827 0.187 222 SER 1.04 0.257 223 GLN 0.745 0.108 224 HIS 0.745 0.0850 226 VAL 0.748 0.109 227 ASP 0.922 0.282 228 GLY 1.53 0.799 231 VAL 0.720 0.204 236 LEU 0.831 0.185 237 LYS 0.732 0.116 239 GLU 0.569 0.0810 240 PHE 0.778 0.0990 241 VAL 0.871 0.0910 242 ASP 0.918 0.209 243 ILE 0.919 0.234 244 ILE 0.930 0.198 245 ASN 0.803 0.154 246 ALA 0.720 0.100 247 LYS 0.725 0.148 248 HIS 0.342 0.0490 stop_ save_