data_15100 save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of E.coli YfgJ modelled with two Zn+2 bound ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ramelot Theresa A. . 2 Cort John R. . 3 Yee Adelinda A. . 4 Semesi Anthony . . 5 Johnathan Lukin . . 6 Arrowsmith Cheryl H. . 7 Kennedy Michael A. . stop_ _BMRB_accession_number 15100 _BMRB_flat_file_name bmr15100.str _Entry_type new _Submission_date 2007-01-12 _Accession_date 2007-01-12 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 spectral_peak_list 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 478 "13C chemical shifts" 302 "15N chemical shifts" 71 stop_ save_ save_entry_citation _Saveframe_category entry_citation _Citation_title "NMR structure of E.coli YfgJ bound to two Zn+2." _Citation_status "in preparation" _Citation_type journal _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ramelot Theresa A. . 2 Cort John R. . 3 Yee Adelinda A. . 4 Arrowsmith Cheryl H. . 5 Kennedy Michael A. . stop_ _Journal_abbreviation ? _Journal_name_full ? _Journal_volume ? _Journal_issue ? _Journal_CSD ? _Page_first ? _Page_last ? _Year ? loop_ _Keyword "C4C3H zinc finger" Zn+2 C4 C3H "all beta" stop_ save_ save_assembly _Saveframe_category molecular_system _Mol_system_name "YfgJ with Zn+2" _Abbreviation_common "YfgJ with Zn+2" loop_ _Mol_system_component_name _Mol_label protein $entity_1 "1st Zn+2" $ZN "2nd Zn+2" $ZN stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no save_ save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 8010.390 _Mol_thiol_state "free and other bound" loop_ _Biological_function unknown stop_ _Residue_count 101 _Mol_residue_sequence ; FCLTLRRRYTMGSSHHHHHH SSGLVPRGSHMELHCPQCQH VLDQDNGHARCRSCGEFIEM KALCPDCHQPLQVLKACGAV DYFCQHGHGLISKKRVEFVL A ; loop_ _Residue_seq_code _Residue_label 1 PHE 2 CYS 3 LEU 4 THR 5 LEU 6 ARG 7 ARG 8 ARG 9 TYR 10 THR 11 MET 12 GLY 13 SER 14 SER 15 HIS 16 HIS 17 HIS 18 HIS 19 HIS 20 HIS 21 SER 22 SER 23 GLY 24 LEU 25 VAL 26 PRO 27 ARG 28 GLY 29 SER 30 HIS 31 MET 32 GLU 33 LEU 34 HIS 35 CYS 36 PRO 37 GLN 38 CYS 39 GLN 40 HIS 41 VAL 42 LEU 43 ASP 44 GLN 45 ASP 46 ASN 47 GLY 48 HIS 49 ALA 50 ARG 51 CYS 52 ARG 53 SER 54 CYS 55 GLY 56 GLU 57 PHE 58 ILE 59 GLU 60 MET 61 LYS 62 ALA 63 LEU 64 CYS 65 PRO 66 ASP 67 CYS 68 HIS 69 GLN 70 PRO 71 LEU 72 GLN 73 VAL 74 LEU 75 LYS 76 ALA 77 CYS 78 GLY 79 ALA 80 VAL 81 ASP 82 TYR 83 PHE 84 CYS 85 GLN 86 HIS 87 GLY 88 HIS 89 GLY 90 LEU 91 ILE 92 SER 93 LYS 94 LYS 95 ARG 96 VAL 97 GLU 98 PHE 99 VAL 100 LEU 101 ALA stop_ 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 _Sequence_difference_details _Sequence_alignment_details SWS P76575 YfgJ . . . . . . . stop_ save_ save_ZN_2+ _Saveframe_category ligand _Mol_type non-polymer _Name_common 'ZINC (II) ION' _Abbreviation_common Zn _Name_IUPAC . _BMRB_code ZN_2+ _PDB_code ZN _Mol_empirical_formula ZN1 _Mol_charge 2+ _Mol_paramagnetic no _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons ZN ZN ZN ? 2+ ? ? stop_ save_ save_crosslink_bonds _Saveframe_category crosslink_bonds loop_ _Bond_order _Bond_type _Atom_one_mol_system_component_name _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_atom_name _Atom_two_mol_system_component_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_atom_name SING "coordinate covalent" protein CYS 35 SG "1st Zn+2" ? ? ZN stop_ save_ save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 ? ? ? ? ? ? YfgJ stop_ save_ save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 "recombinant technology" ? ? ? ? pET stop_ save_ save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM "[U-100% 13C]" TRIS 10 mM "natural abundance" "sodium chloride" 250 mM "natural abundance" $ZN 10 uM "natural abundance" DTT 10 mM "natural abundance" "sodium azide" 0.01 % "natural abundance" stop_ save_ save_AutoStructure _Saveframe_category software _Name AutoStructure _Version 2.1.1 loop_ _Vendor _Address _Electronic_address "Huang, Swapana, Rajan, Ke, Xia, Shukla, Inouye and Montelione" ? ? stop_ loop_ _Task "data analysis" stop_ save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version 2.15.0 loop_ _Vendor _Address _Electronic_address "Schwieters, Kuszewski, Tjandra and Clore" ? ? stop_ loop_ _Task "structure solution" stop_ save_ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address "Brunger, Adams, Clore, Gros, Nilges and Read" ? ? stop_ loop_ _Task refinement stop_ save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.1 loop_ _Vendor _Address _Electronic_address Goddard ? ? stop_ loop_ _Task "peak picking" stop_ save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version linux9 loop_ _Vendor _Address _Electronic_address "Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax" ? ? stop_ loop_ _Task processing stop_ save_ save_nmr_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details "at PNNL" save_ save_nmr_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details "at PNNL" save_ save_nmr_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details "at PNNL" save_ save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name "3D 1H-15N NOESY" _Sample_label $sample_1 save_ save_sample_conditions_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 1 K pH 7.3 0.2 pH pressure 1 ? atm "ionic strength" 250 1 mM stop_ save_ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 "methyl protons" ppm 0.00 internal direct ? ? ? 1.000000000 DSS C 13 "methyl protons" ppm 0.00 n/a indirect ? ? ? 0.251449530 DSS N 15 "methyl protons" ppm 0.00 n/a indirect ? ? ? 0.101329118 stop_ save_ save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts loop_ _Software_label $autoassign stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name protein 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 1 31 MET H H 8.21 0.02 1 2 1 31 MET HA H 4.43 0.02 1 3 1 31 MET HB2 H 1.99 0.02 2 4 1 31 MET HB3 H 2.08 0.02 2 5 1 31 MET HG2 H 2.46 0.02 1 6 1 31 MET HG3 H 2.46 0.02 1 7 1 31 MET C C 175.4 0.2 1 8 1 31 MET CA C 55.3 0.2 1 9 1 31 MET CB C 32.8 0.2 1 10 1 31 MET CG C 31.9 0.2 1 11 1 31 MET N N 120.8 0.2 1 12 2 32 GLU H H 8.37 0.02 1 13 2 32 GLU HA H 4.28 0.02 1 14 2 32 GLU HB2 H 1.9 0.02 1 15 2 32 GLU HB3 H 1.9 0.02 1 16 2 32 GLU HG2 H 2.16 0.02 2 17 2 32 GLU HG3 H 2.25 0.02 2 18 2 32 GLU C C 175.1 0.2 1 19 2 32 GLU CA C 56.1 0.2 1 20 2 32 GLU CB C 30.7 0.2 1 21 2 32 GLU CG C 36.5 0.2 1 22 2 32 GLU N N 122.2 0.2 1 23 3 33 LEU H H 8.53 0.02 1 24 3 33 LEU HA H 4.6 0.02 1 25 3 33 LEU HB2 H 1.3 0.02 2 26 3 33 LEU HB3 H 1.57 0.02 2 27 3 33 LEU HG H 1.63 0.02 1 28 3 33 LEU HD1 H 0.75 0.02 1 29 3 33 LEU HD2 H 0.87 0.02 1 30 3 33 LEU C C 175.7 0.2 1 31 3 33 LEU CA C 53.7 0.2 1 32 3 33 LEU CB C 44.8 0.2 1 33 3 33 LEU CG C 26.9 0.2 1 34 3 33 LEU CD1 C 25.9 0.02 1 35 3 33 LEU CD2 C 23.4 0.02 1 36 3 33 LEU N N 123.5 0.2 1 37 4 34 HIS H H 8.42 0.02 1 38 4 34 HIS HA H 4.82 0.02 1 39 4 34 HIS HB2 H 2.65 0.02 2 40 4 34 HIS HB3 H 2.79 0.02 2 41 4 34 HIS HD2 H 6.87 0.02 1 42 4 34 HIS C C 173.5 0.2 1 43 4 34 HIS CA C 55.3 0.2 1 44 4 34 HIS CB C 32.3 0.2 1 45 4 34 HIS CD2 C 120.8 0.2 1 46 4 34 HIS N N 119.6 0.2 1 47 5 35 CYS H H 9.32 0.02 1 48 5 35 CYS HA H 4.31 0.02 1 49 5 35 CYS HB2 H 3.11 0.02 2 50 5 35 CYS HB3 H 3.21 0.02 2 51 5 35 CYS CA C 57.3 0.2 1 52 5 35 CYS CB C 31.9 0.2 1 53 5 35 CYS N N 125.6 0.2 1 54 6 36 PRO HA H 4.46 0.02 1 55 6 36 PRO HB2 H 2.08 0.02 2 56 6 36 PRO HB3 H 2.4 0.02 2 57 6 36 PRO HG2 H 2.14 0.02 1 58 6 36 PRO HG3 H 2.14 0.02 1 59 6 36 PRO HD2 H 3.94 0.02 2 60 6 36 PRO HD3 H 4.13 0.02 2 61 6 36 PRO C C 177 0.2 1 62 6 36 PRO CA C 64.2 0.2 1 63 6 36 PRO CB C 32.3 0.2 1 64 6 36 PRO CG C 27.4 0.2 1 65 6 36 PRO CD C 51.5 0.2 1 66 7 37 GLN H H 9.28 0.02 1 67 7 37 GLN HA H 4.51 0.02 1 68 7 37 GLN HB2 H 2.18 0.02 2 69 7 37 GLN HB3 H 2.28 0.02 2 70 7 37 GLN HG2 H 2.33 0.02 2 71 7 37 GLN HG3 H 2.38 0.02 2 72 7 37 GLN HE21 H 7.74 0.02 2 73 7 37 GLN HE22 H 6.84 0.02 2 74 7 37 GLN C C 177.6 0.2 1 75 7 37 GLN CA C 57.4 0.2 1 76 7 37 GLN CB C 29.9 0.2 1 77 7 37 GLN CG C 33.6 0.2 1 78 7 37 GLN CD C 179.8 0.2 1 79 7 37 GLN N N 119.8 0.2 1 80 7 37 GLN NE2 N 112.6 0.2 1 81 8 38 CYS H H 8.77 0.02 1 82 8 38 CYS HA H 5.04 0.02 1 83 8 38 CYS HB2 H 2.55 0.02 2 84 8 38 CYS HB3 H 3.25 0.02 2 85 8 38 CYS C C 176.4 0.2 1 86 8 38 CYS CA C 59.2 0.2 1 87 8 38 CYS CB C 32.8 0.2 1 88 8 38 CYS N N 119.8 0.2 1 89 9 39 GLN H H 8.21 0.02 1 90 9 39 GLN HA H 4.17 0.02 1 91 9 39 GLN HB2 H 2.34 0.02 2 92 9 39 GLN HB3 H 2.47 0.02 2 93 9 39 GLN HG2 H 2.26 0.02 1 94 9 39 GLN HG3 H 2.26 0.02 1 95 9 39 GLN HE21 H 7.24 0.02 2 96 9 39 GLN HE22 H 6.48 0.02 2 97 9 39 GLN C C 174.7 0.2 1 98 9 39 GLN CA C 59.1 0.2 1 99 9 39 GLN CB C 26.1 0.2 1 100 9 39 GLN CG C 34.5 0.2 1 101 9 39 GLN CD C 180.4 0.2 1 102 9 39 GLN N N 116.2 0.2 1 103 9 39 GLN NE2 N 112.4 0.2 1 104 10 40 HIS H H 8.67 0.02 1 105 10 40 HIS HA H 4.54 0.02 1 106 10 40 HIS HB2 H 3.39 0.02 1 107 10 40 HIS HB3 H 3.39 0.02 1 108 10 40 HIS HD2 H 7.26 0.02 1 109 10 40 HIS C C 175.2 0.2 1 110 10 40 HIS CA C 58 0.2 1 111 10 40 HIS CB C 31.2 0.2 1 112 10 40 HIS CD2 C 123.7 0.2 1 113 10 40 HIS N N 123.2 0.2 1 114 11 41 VAL H H 8.18 0.02 1 115 11 41 VAL HA H 3.88 0.02 1 116 11 41 VAL HB H 1.85 0.02 1 117 11 41 VAL HG1 H 0.88 0.02 1 118 11 41 VAL HG2 H 0.87 0.02 1 119 11 41 VAL C C 176.3 0.2 1 120 11 41 VAL CA C 64.1 0.2 1 121 11 41 VAL CB C 32.1 0.2 1 122 11 41 VAL CG1 C 21.1 0.02 1 123 11 41 VAL CG2 C 22.2 0.02 1 124 11 41 VAL N N 123.4 0.2 1 125 12 42 LEU H H 8.34 0.02 1 126 12 42 LEU HA H 4.48 0.02 1 127 12 42 LEU HB2 H 1.16 0.02 2 128 12 42 LEU HB3 H 1.5 0.02 2 129 12 42 LEU HG H 1.55 0.02 1 130 12 42 LEU HD1 H 0.66 0.02 1 131 12 42 LEU HD2 H 0.75 0.02 1 132 12 42 LEU C C 176.7 0.2 1 133 12 42 LEU CA C 54.3 0.2 1 134 12 42 LEU CB C 43.8 0.2 1 135 12 42 LEU CG C 26.8 0.2 1 136 12 42 LEU CD1 C 26.7 0.02 1 137 12 42 LEU CD2 C 23.6 0.02 1 138 12 42 LEU N N 126.6 0.2 1 139 13 43 ASP H H 8.66 0.02 1 140 13 43 ASP HA H 4.91 0.02 1 141 13 43 ASP HB2 H 2.68 0.02 1 142 13 43 ASP HB3 H 2.68 0.02 1 143 13 43 ASP C C 175.7 0.2 1 144 13 43 ASP CA C 53.8 0.2 1 145 13 43 ASP CB C 42.4 0.2 1 146 13 43 ASP N N 121.8 0.2 1 147 14 44 GLN H H 8.74 0.02 1 148 14 44 GLN HA H 4.8 0.02 1 149 14 44 GLN HB2 H 1.83 0.02 2 150 14 44 GLN HB3 H 2.04 0.02 2 151 14 44 GLN HG2 H 2.1 0.02 2 152 14 44 GLN HG3 H 2.2 0.02 2 153 14 44 GLN HE21 H 7.54 0.02 2 154 14 44 GLN HE22 H 6.66 0.02 2 155 14 44 GLN C C 175 0.2 1 156 14 44 GLN CA C 55.7 0.2 1 157 14 44 GLN CB C 30.6 0.2 1 158 14 44 GLN CG C 34.4 0.2 1 159 14 44 GLN CD C 179 0.2 1 160 14 44 GLN N N 122.6 0.2 1 161 14 44 GLN NE2 N 111.2 0.2 1 162 15 45 ASP H H 8.46 0.02 1 163 15 45 ASP HA H 4.64 0.02 1 164 15 45 ASP HB2 H 2.54 0.02 1 165 15 45 ASP HB3 H 2.54 0.02 1 166 15 45 ASP CA C 54 0.2 1 167 15 45 ASP CB C 42.8 0.2 1 168 15 45 ASP N N 122.8 0.2 1 169 16 46 ASN HA H 4.33 0.02 1 170 16 46 ASN HB2 H 2.7 0.02 2 171 16 46 ASN HB3 H 2.95 0.02 2 172 16 46 ASN HD21 H 7.7 0.02 2 173 16 46 ASN HD22 H 6.91 0.02 2 174 16 46 ASN CA C 54.4 0.2 1 175 16 46 ASN CB C 38.5 0.2 1 176 16 46 ASN ND2 N 113.7 0.2 1 177 17 47 GLY H H 8.36 0.02 1 178 17 47 GLY HA2 H 2.96 0.02 2 179 17 47 GLY HA3 H 3.27 0.02 2 180 17 47 GLY C C 173.5 0.2 1 181 17 47 GLY CA C 45.5 0.2 1 182 17 47 GLY N N 106.8 0.2 1 183 18 48 HIS H H 7.94 0.02 1 184 18 48 HIS HA H 5.05 0.02 1 185 18 48 HIS HB2 H 2.97 0.02 2 186 18 48 HIS HB3 H 3.14 0.02 2 187 18 48 HIS HD2 H 6.79 0.02 1 188 18 48 HIS HE1 H 7.80 0.02 1 189 18 48 HIS C C 173.4 0.2 1 190 18 48 HIS CA C 54.7 0.2 1 191 18 48 HIS CB C 32.4 0.2 1 192 18 48 HIS CD2 C 120.8 0.2 1 193 18 48 HIS N N 119.1 0.2 1 194 19 49 ALA H H 8.94 0.02 1 195 19 49 ALA HA H 5.18 0.02 1 196 19 49 ALA HB H 1.26 0.02 1 197 19 49 ALA C C 175.3 0.2 1 198 19 49 ALA CA C 50.6 0.2 1 199 19 49 ALA CB C 22.2 0.2 1 200 19 49 ALA N N 124.7 0.2 1 201 20 50 ARG H H 8.54 0.02 1 202 20 50 ARG HA H 5.18 0.02 1 203 20 50 ARG HB2 H 1.69 0.02 1 204 20 50 ARG HB3 H 1.69 0.02 1 205 20 50 ARG HG2 H 1.37 0.02 1 206 20 50 ARG HG3 H 1.37 0.02 1 207 20 50 ARG HD2 H 2.98 0.02 2 208 20 50 ARG HD3 H 3.08 0.02 2 209 20 50 ARG C C 174.4 0.2 1 210 20 50 ARG CA C 54.2 0.2 1 211 20 50 ARG CB C 34.2 0.2 1 212 20 50 ARG CG C 27.4 0.2 1 213 20 50 ARG CD C 43.2 0.2 1 214 20 50 ARG N N 120 0.2 1 215 21 51 CYS H H 8.94 0.02 1 216 21 51 CYS HA H 4.66 0.02 1 217 21 51 CYS HB2 H 2.68 0.02 2 218 21 51 CYS HB3 H 3.16 0.02 2 219 21 51 CYS C C 178 0.2 1 220 21 51 CYS CA C 59.1 0.2 1 221 21 51 CYS CB C 31.7 0.2 1 222 21 51 CYS N N 127.7 0.2 1 223 22 52 ARG H H 9.32 0.02 1 224 22 52 ARG HA H 4.13 0.02 1 225 22 52 ARG HB2 H 1.86 0.02 2 226 22 52 ARG HB3 H 1.91 0.02 2 227 22 52 ARG HG2 H 1.68 0.02 1 228 22 52 ARG HG3 H 1.68 0.02 1 229 22 52 ARG HD2 H 3.2 0.02 1 230 22 52 ARG HD3 H 3.2 0.02 1 231 22 52 ARG C C 176.4 0.2 1 232 22 52 ARG CA C 57.9 0.2 1 233 22 52 ARG CB C 30.3 0.2 1 234 22 52 ARG CG C 27.5 0.2 1 235 22 52 ARG CD C 43.4 0.2 1 236 22 52 ARG N N 130.2 0.2 1 237 23 53 SER H H 8.72 0.02 1 238 23 53 SER HA H 4.36 0.02 1 239 23 53 SER HB2 H 3.1 0.02 2 240 23 53 SER HB3 H 3.84 0.02 2 241 23 53 SER C C 176 0.2 1 242 23 53 SER CA C 59.9 0.2 1 243 23 53 SER CB C 62.9 0.2 1 244 23 53 SER N N 116.8 0.2 1 245 24 54 CYS H H 9.29 0.02 1 246 24 54 CYS C C 177.2 0.2 1 247 24 54 CYS N N 121 0.2 1 248 25 55 GLY H H 7.63 0.02 1 249 25 55 GLY HA2 H 3.81 0.02 2 250 25 55 GLY HA3 H 4.22 0.02 2 251 25 55 GLY CA C 46 0.2 1 252 25 55 GLY N N 111.5 0.2 1 253 26 56 GLU HA H 4.29 0.02 1 254 26 56 GLU HB2 H 1.97 0.02 2 255 26 56 GLU HB3 H 2.03 0.02 2 256 26 56 GLU HG2 H 2.28 0.02 1 257 26 56 GLU HG3 H 2.28 0.02 1 258 26 56 GLU C C 175 0.2 1 259 26 56 GLU CA C 57.5 0.2 1 260 26 56 GLU CB C 30.3 0.2 1 261 27 57 PHE H H 8.61 0.02 1 262 27 57 PHE HA H 5.21 0.02 1 263 27 57 PHE HB2 H 3 0.02 2 264 27 57 PHE HB3 H 3.06 0.02 2 265 27 57 PHE HD1 H 7.18 0.02 1 266 27 57 PHE HD2 H 7.18 0.02 1 267 27 57 PHE HE1 H 6.97 0.02 1 268 27 57 PHE HE2 H 6.97 0.02 1 269 27 57 PHE HZ H 6.96 0.02 1 270 27 57 PHE C C 175 0.2 1 271 27 57 PHE CA C 57.1 0.2 1 272 27 57 PHE CB C 40.8 0.2 1 273 27 57 PHE CD1 C 131.7 0.02 1 274 27 57 PHE CD2 C 131.7 0.02 1 275 27 57 PHE CE1 C 129.4 0.02 1 276 27 57 PHE CE2 C 129.4 0.02 1 277 27 57 PHE CZ C 132.2 0.2 1 278 27 57 PHE N N 124.5 0.2 1 279 28 58 ILE H H 8.73 0.02 1 280 28 58 ILE HA H 4.3 0.02 1 281 28 58 ILE HB H 1.66 0.02 1 282 28 58 ILE HG12 H 1.2 0.02 2 283 28 58 ILE HG13 H 1.39 0.02 2 284 28 58 ILE HG2 H 0.84 0.02 1 285 28 58 ILE HD1 H 0.85 0.02 1 286 28 58 ILE C C 174.6 0.2 1 287 28 58 ILE CA C 59.7 0.2 1 288 28 58 ILE CB C 41.7 0.2 1 289 28 58 ILE CG1 C 27.7 0.2 1 290 28 58 ILE CG2 C 18.5 0.2 1 291 28 58 ILE CD1 C 14.1 0.2 1 292 28 58 ILE N N 126.1 0.2 1 293 29 59 GLU H H 8.64 0.02 1 294 29 59 GLU HA H 4.29 0.02 1 295 29 59 GLU HB2 H 1.95 0.02 2 296 29 59 GLU HB3 H 2.03 0.02 2 297 29 59 GLU HG2 H 2.21 0.02 1 298 29 59 GLU HG3 H 2.21 0.02 1 299 29 59 GLU C C 175.6 0.2 1 300 29 59 GLU CA C 56.4 0.2 1 301 29 59 GLU CB C 30.3 0.2 1 302 29 59 GLU CG C 36.6 0.2 1 303 29 59 GLU N N 127.1 0.2 1 304 30 60 MET H H 8.41 0.02 1 305 30 60 MET HA H 4.86 0.02 1 306 30 60 MET HB2 H 1.79 0.02 2 307 30 60 MET HB3 H 2.15 0.02 2 308 30 60 MET HG2 H 2 0.02 2 309 30 60 MET HG3 H 2.28 0.02 2 310 30 60 MET HE H 1.56 0.02 1 311 30 60 MET C C 175.2 0.2 1 312 30 60 MET CA C 55.3 0.2 1 313 30 60 MET CB C 35.3 0.2 1 314 30 60 MET CG C 32.6 0.2 1 315 30 60 MET CE C 17.4 0.2 1 316 30 60 MET N N 123.8 0.2 1 317 31 61 LYS H H 9.18 0.02 1 318 31 61 LYS HA H 4.65 0.02 1 319 31 61 LYS HB2 H 1.66 0.02 1 320 31 61 LYS HB3 H 1.66 0.02 1 321 31 61 LYS HG2 H 1.3 0.02 2 322 31 61 LYS HG3 H 1.44 0.02 2 323 31 61 LYS HD2 H 1.68 0.02 1 324 31 61 LYS HD3 H 1.68 0.02 1 325 31 61 LYS HE2 H 2.95 0.02 1 326 31 61 LYS HE3 H 2.95 0.02 1 327 31 61 LYS C C 174.3 0.2 1 328 31 61 LYS CA C 55.2 0.2 1 329 31 61 LYS CB C 34.4 0.2 1 330 31 61 LYS CG C 24.5 0.2 1 331 31 61 LYS CD C 29.4 0.2 1 332 31 61 LYS CE C 41.7 0.2 1 333 31 61 LYS N N 122.6 0.2 1 334 32 62 ALA H H 8.35 0.02 1 335 32 62 ALA HA H 4.21 0.02 1 336 32 62 ALA HB H 1.1 0.02 1 337 32 62 ALA C C 176 0.2 1 338 32 62 ALA CA C 50.9 0.2 1 339 32 62 ALA CB C 21.1 0.2 1 340 32 62 ALA N N 127.2 0.2 1 341 33 63 LEU H H 9.18 0.02 1 342 33 63 LEU HA H 4.61 0.02 1 343 33 63 LEU HB2 H 1.88 0.02 2 344 33 63 LEU HB3 H 0.83 0.02 2 345 33 63 LEU HG H 1.52 0.02 1 346 33 63 LEU HD1 H 0.76 0.02 1 347 33 63 LEU HD2 H 0.57 0.02 1 348 33 63 LEU C C 175 0.2 1 349 33 63 LEU CA C 52.8 0.2 1 350 33 63 LEU CB C 44.2 0.2 1 351 33 63 LEU CG C 26.7 0.2 1 352 33 63 LEU CD1 C 26 0.02 1 353 33 63 LEU CD2 C 21.9 0.02 1 354 33 63 LEU N N 125.1 0.2 1 355 34 64 CYS H H 8.05 0.02 1 356 34 64 CYS HA H 4.37 0.02 1 357 34 64 CYS HB2 H 2.84 0.02 2 358 34 64 CYS HB3 H 3.27 0.02 2 359 34 64 CYS CA C 56.5 0.2 1 360 34 64 CYS CB C 31.5 0.2 1 361 34 64 CYS N N 123.4 0.2 1 362 35 65 PRO HA H 4.24 0.02 1 363 35 65 PRO HB2 H 1.88 0.02 2 364 35 65 PRO HB3 H 2.35 0.02 2 365 35 65 PRO HG2 H 1.79 0.02 1 366 35 65 PRO HG3 H 1.79 0.02 1 367 35 65 PRO HD2 H 3.4 0.02 2 368 35 65 PRO HD3 H 4.32 0.02 2 369 35 65 PRO C C 175.5 0.2 1 370 35 65 PRO CA C 63.8 0.2 1 371 35 65 PRO CB C 32 0.2 1 372 35 65 PRO CG C 26.8 0.2 1 373 35 65 PRO CD C 51 0.2 1 374 36 66 ASP H H 8.79 0.02 1 375 36 66 ASP HA H 4.52 0.02 1 376 36 66 ASP HB2 H 1.09 0.02 2 377 36 66 ASP HB3 H 1.59 0.02 2 378 36 66 ASP C C 176.6 0.2 1 379 36 66 ASP CA C 56.3 0.2 1 380 36 66 ASP CB C 40.8 0.2 1 381 36 66 ASP N N 121.7 0.2 1 382 37 67 CYS H H 7.75 0.02 1 383 37 67 CYS HA H 4.9 0.02 1 384 37 67 CYS HB2 H 2.96 0.02 2 385 37 67 CYS HB3 H 3.29 0.02 2 386 37 67 CYS C C 175.8 0.2 1 387 37 67 CYS CA C 58.2 0.2 1 388 37 67 CYS CB C 32.8 0.2 1 389 37 67 CYS N N 116 0.2 1 390 38 68 HIS H H 7.93 0.02 1 391 38 68 HIS HA H 4.49 0.02 1 392 38 68 HIS HB2 H 3.34 0.02 1 393 38 68 HIS HB3 H 3.34 0.02 1 394 38 68 HIS HD2 H 6.93 0.02 1 395 38 68 HIS C C 172.9 0.2 1 396 38 68 HIS CA C 57.6 0.2 1 397 38 68 HIS CB C 26.6 0.2 1 398 38 68 HIS CD2 C 119.6 0.2 1 399 38 68 HIS N N 118.1 0.2 1 400 39 69 GLN H H 7.65 0.02 1 401 39 69 GLN HA H 4.83 0.02 1 402 39 69 GLN HB2 H 2.07 0.02 2 403 39 69 GLN HB3 H 2.11 0.02 2 404 39 69 GLN HG2 H 1.84 0.02 2 405 39 69 GLN HG3 H 2.25 0.02 2 406 39 69 GLN HE21 H 6.7 0.02 2 407 39 69 GLN HE22 H 7.17 0.02 2 408 39 69 GLN CA C 53.6 0.2 1 409 39 69 GLN CB C 28.5 0.2 1 410 39 69 GLN CG C 33.7 0.2 1 411 39 69 GLN CD C 180 0.2 1 412 39 69 GLN N N 116.7 0.2 1 413 39 69 GLN NE2 N 112.9 0.2 1 414 40 70 PRO HA H 4.68 0.02 1 415 40 70 PRO HB2 H 2.07 0.02 2 416 40 70 PRO HB3 H 2.33 0.02 2 417 40 70 PRO HG2 H 1.88 0.02 2 418 40 70 PRO HG3 H 2.31 0.02 2 419 40 70 PRO HD2 H 3.81 0.02 2 420 40 70 PRO HD3 H 3.91 0.02 2 421 40 70 PRO C C 176.7 0.2 1 422 40 70 PRO CA C 63.9 0.2 1 423 40 70 PRO CB C 32.2 0.2 1 424 40 70 PRO CG C 28.1 0.2 1 425 40 70 PRO CD C 50.9 0.2 1 426 41 71 LEU H H 8.24 0.02 1 427 41 71 LEU HA H 4.55 0.02 1 428 41 71 LEU HB2 H 1.47 0.02 2 429 41 71 LEU HB3 H 1.54 0.02 2 430 41 71 LEU HG H 1.67 0.02 1 431 41 71 LEU HD1 H 0.58 0.02 1 432 41 71 LEU HD2 H 0.89 0.02 1 433 41 71 LEU C C 177.7 0.2 1 434 41 71 LEU CA C 54.6 0.2 1 435 41 71 LEU CB C 43.5 0.2 1 436 41 71 LEU CG C 27.8 0.2 1 437 41 71 LEU CD1 C 28.4 0.02 1 438 41 71 LEU CD2 C 25.5 0.02 1 439 41 71 LEU N N 124.6 0.2 1 440 42 72 GLN H H 9.24 0.02 1 441 42 72 GLN HA H 4.54 0.02 1 442 42 72 GLN HB2 H 2.2 0.02 2 443 42 72 GLN HB3 H 2.38 0.02 2 444 42 72 GLN HG2 H 2.31 0.02 2 445 42 72 GLN HG3 H 2.51 0.02 2 446 42 72 GLN HE21 H 7.32 0.02 2 447 42 72 GLN HE22 H 6.6 0.02 2 448 42 72 GLN C C 175 0.2 1 449 42 72 GLN CA C 55.6 0.2 1 450 42 72 GLN CB C 29.7 0.2 1 451 42 72 GLN CG C 33.9 0.2 1 452 42 72 GLN CD C 179.3 0.2 1 453 42 72 GLN N N 122 0.2 1 454 42 72 GLN NE2 N 110.1 0.2 1 455 43 73 VAL H H 8.57 0.02 1 456 43 73 VAL HA H 4.31 0.02 1 457 43 73 VAL HB H 2.01 0.02 1 458 43 73 VAL HG1 H 0.7 0.02 1 459 43 73 VAL HG2 H 1.06 0.02 1 460 43 73 VAL C C 175.7 0.2 1 461 43 73 VAL CA C 62.3 0.2 1 462 43 73 VAL CB C 32.1 0.2 1 463 43 73 VAL CG1 C 21.6 0.02 1 464 43 73 VAL CG2 C 20.9 0.02 1 465 43 73 VAL N N 126.6 0.2 1 466 44 74 LEU H H 9.01 0.02 1 467 44 74 LEU HA H 4.54 0.02 1 468 44 74 LEU HB2 H 1.34 0.02 2 469 44 74 LEU HB3 H 1.6 0.02 2 470 44 74 LEU HG H 1.41 0.02 1 471 44 74 LEU HD1 H 0.65 0.02 1 472 44 74 LEU HD2 H 0.66 0.02 1 473 44 74 LEU C C 175.7 0.2 1 474 44 74 LEU CA C 53.6 0.2 1 475 44 74 LEU CB C 42.6 0.2 1 476 44 74 LEU CG C 27 0.2 1 477 44 74 LEU CD1 C 25.5 0.02 1 478 44 74 LEU CD2 C 23.5 0.02 1 479 44 74 LEU N N 130.5 0.2 1 480 45 75 LYS H H 8.48 0.02 1 481 45 75 LYS HA H 4.88 0.02 1 482 45 75 LYS HB2 H 1.7 0.02 2 483 45 75 LYS HB3 H 1.82 0.02 2 484 45 75 LYS HG2 H 1.3 0.02 2 485 45 75 LYS HG3 H 1.38 0.02 2 486 45 75 LYS HD2 H 1.68 0.02 1 487 45 75 LYS HD3 H 1.68 0.02 1 488 45 75 LYS HE2 H 2.94 0.02 1 489 45 75 LYS HE3 H 2.94 0.02 1 490 45 75 LYS C C 175.7 0.2 1 491 45 75 LYS CA C 55.8 0.2 1 492 45 75 LYS CB C 33.8 0.2 1 493 45 75 LYS CG C 25.3 0.2 1 494 45 75 LYS CD C 29.5 0.2 1 495 45 75 LYS CE C 41.9 0.2 1 496 45 75 LYS N N 124.1 0.2 1 497 46 76 ALA H H 8.25 0.02 1 498 46 76 ALA HA H 4.56 0.02 1 499 46 76 ALA HB H 1.36 0.02 1 500 46 76 ALA CA C 52.1 0.2 1 501 46 76 ALA CB C 20.9 0.2 1 502 46 76 ALA N N 126.6 0.2 1 503 47 77 CYS HA H 4.14 0.02 1 504 47 77 CYS HB2 H 2.93 0.02 2 505 47 77 CYS HB3 H 3.1 0.02 2 506 47 77 CYS CA C 59.9 0.2 1 507 47 77 CYS CB C 25.9 0.2 1 508 48 78 GLY HA2 H 3.72 0.02 2 509 48 78 GLY HA3 H 4.11 0.02 2 510 48 78 GLY C C 173.3 0.2 1 511 48 78 GLY CA C 45.6 0.2 1 512 49 79 ALA H H 7.83 0.02 1 513 49 79 ALA HA H 4.66 0.02 1 514 49 79 ALA HB H 1.41 0.02 1 515 49 79 ALA C C 176.2 0.2 1 516 49 79 ALA CA C 51.3 0.2 1 517 49 79 ALA CB C 21.4 0.2 1 518 49 79 ALA N N 124.1 0.2 1 519 50 80 VAL H H 8.09 0.02 1 520 50 80 VAL HA H 4.63 0.02 1 521 50 80 VAL HB H 1.83 0.02 1 522 50 80 VAL HG1 H 0.57 0.02 1 523 50 80 VAL HG2 H 0.76 0.02 1 524 50 80 VAL C C 174.3 0.2 1 525 50 80 VAL CA C 61.5 0.2 1 526 50 80 VAL CB C 34.2 0.2 1 527 50 80 VAL CG1 C 21.3 0.02 1 528 50 80 VAL CG2 C 21.1 0.02 1 529 50 80 VAL N N 119.8 0.2 1 530 51 81 ASP H H 8.55 0.02 1 531 51 81 ASP HA H 5.08 0.02 1 532 51 81 ASP HB2 H 2.39 0.02 2 533 51 81 ASP HB3 H 2.52 0.02 2 534 51 81 ASP C C 173.6 0.2 1 535 51 81 ASP CA C 52.9 0.2 1 536 51 81 ASP CB C 45.5 0.2 1 537 51 81 ASP N N 125.5 0.2 1 538 52 82 TYR H H 8.97 0.02 1 539 52 82 TYR HA H 5.14 0.02 1 540 52 82 TYR HB2 H 2.76 0.02 2 541 52 82 TYR HB3 H 3.07 0.02 2 542 52 82 TYR HD1 H 6.97 0.02 1 543 52 82 TYR HD2 H 6.97 0.02 1 544 52 82 TYR HE1 H 6.75 0.02 1 545 52 82 TYR HE2 H 6.75 0.02 1 546 52 82 TYR C C 174.6 0.2 1 547 52 82 TYR CA C 57.4 0.2 1 548 52 82 TYR CB C 41.2 0.2 1 549 52 82 TYR CD1 C 133.3 0.02 1 550 52 82 TYR CD2 C 133.3 0.02 1 551 52 82 TYR CE1 C 117.6 0.02 1 552 52 82 TYR CE2 C 117.6 0.02 1 553 52 82 TYR N N 118.7 0.2 1 554 53 83 PHE H H 9.21 0.02 1 555 53 83 PHE HA H 5.08 0.02 1 556 53 83 PHE HB2 H 2.69 0.02 2 557 53 83 PHE HB3 H 2.98 0.02 2 558 53 83 PHE HD1 H 6.98 0.02 1 559 53 83 PHE HD2 H 6.98 0.02 1 560 53 83 PHE HE1 H 7.28 0.02 1 561 53 83 PHE HE2 H 7.28 0.02 1 562 53 83 PHE HZ H 7.29 0.02 1 563 53 83 PHE C C 173.2 0.2 1 564 53 83 PHE CA C 56.6 0.2 1 565 53 83 PHE CB C 44.4 0.2 1 566 53 83 PHE CD1 C 131.5 0.02 1 567 53 83 PHE CD2 C 131.5 0.02 1 568 53 83 PHE CE1 C 131.6 0.02 1 569 53 83 PHE CE2 C 131.6 0.02 1 570 53 83 PHE CZ C 130 0.2 1 571 53 83 PHE N N 123.3 0.2 1 572 54 84 CYS H H 9.13 0.02 1 573 54 84 CYS HA H 4.82 0.02 1 574 54 84 CYS HB2 H 2.78 0.02 2 575 54 84 CYS HB3 H 2.82 0.02 2 576 54 84 CYS C C 175.9 0.2 1 577 54 84 CYS CA C 58.3 0.2 1 578 54 84 CYS CB C 29.7 0.2 1 579 54 84 CYS N N 131 0.2 1 580 55 85 GLN H H 9.5 0.02 1 581 55 85 GLN HA H 4.2 0.02 1 582 55 85 GLN HB2 H 1.89 0.02 2 583 55 85 GLN HB3 H 2.03 0.02 2 584 55 85 GLN HG2 H 2.04 0.02 2 585 55 85 GLN HG3 H 2.29 0.02 2 586 55 85 GLN HE21 H 7.45 0.02 2 587 55 85 GLN HE22 H 6.87 0.02 2 588 55 85 GLN C C 174.7 0.2 1 589 55 85 GLN CA C 56.7 0.2 1 590 55 85 GLN CB C 29 0.2 1 591 55 85 GLN CG C 33.8 0.2 1 592 55 85 GLN CD C 180.1 0.2 1 593 55 85 GLN N N 129 0.2 1 594 55 85 GLN NE2 N 112.1 0.2 1 595 56 86 HIS H H 8.88 0.02 1 596 56 86 HIS HA H 4.6 0.02 1 597 56 86 HIS HB2 H 3.09 0.02 2 598 56 86 HIS HB3 H 3.32 0.02 2 599 56 86 HIS HD2 H 7.26 0.02 1 600 56 86 HIS C C 175 0.2 1 601 56 86 HIS CA C 55.3 0.2 1 602 56 86 HIS CB C 30.3 0.2 1 603 56 86 HIS CD2 C 121.2 0.2 1 604 56 86 HIS N N 122.5 0.2 1 605 57 87 GLY H H 7.29 0.02 1 606 57 87 GLY HA2 H 3.48 0.02 2 607 57 87 GLY HA3 H 4.17 0.02 2 608 57 87 GLY C C 175.8 0.2 1 609 57 87 GLY CA C 45.1 0.2 1 610 57 87 GLY N N 105.8 0.2 1 611 58 88 HIS H H 7.49 0.02 1 612 58 88 HIS HA H 4.68 0.02 1 613 58 88 HIS HB2 H 3.09 0.02 2 614 58 88 HIS HB3 H 3.42 0.02 2 615 58 88 HIS HD2 H 7.18 0.02 1 616 58 88 HIS HE1 H 7.66 0.02 1 617 58 88 HIS C C 174.2 0.2 1 618 58 88 HIS CA C 59.9 0.2 1 619 58 88 HIS CB C 30.1 0.2 1 620 58 88 HIS CD2 C 118 0.2 1 621 58 88 HIS CE1 C 137.6 0.2 1 622 58 88 HIS N N 116.4 0.2 1 623 59 89 GLY H H 7.61 0.02 1 624 59 89 GLY HA2 H 3 0.02 2 625 59 89 GLY HA3 H 3.77 0.02 2 626 59 89 GLY C C 173.1 0.2 1 627 59 89 GLY CA C 45.7 0.2 1 628 59 89 GLY N N 108 0.2 1 629 60 90 LEU H H 8.43 0.02 1 630 60 90 LEU HA H 4.72 0.02 1 631 60 90 LEU HB2 H 1.69 0.02 2 632 60 90 LEU HB3 H 1.73 0.02 2 633 60 90 LEU HG H 1.72 0.02 1 634 60 90 LEU HD1 H 1.01 0.02 1 635 60 90 LEU HD2 H 0.99 0.02 1 636 60 90 LEU C C 176.9 0.2 1 637 60 90 LEU CA C 55.9 0.2 1 638 60 90 LEU CB C 42.4 0.2 1 639 60 90 LEU CG C 27.4 0.2 1 640 60 90 LEU CD1 C 25 0.02 1 641 60 90 LEU CD2 C 24.7 0.02 1 642 60 90 LEU N N 124.4 0.2 1 643 61 91 ILE H H 8.75 0.02 1 644 61 91 ILE HA H 4.3 0.02 1 645 61 91 ILE HB H 1.85 0.02 1 646 61 91 ILE HG12 H 1.25 0.02 2 647 61 91 ILE HG13 H 1.84 0.02 2 648 61 91 ILE HG2 H 0.78 0.02 1 649 61 91 ILE HD1 H 0.64 0.02 1 650 61 91 ILE C C 175.7 0.2 1 651 61 91 ILE CA C 57.3 0.2 1 652 61 91 ILE CB C 37.9 0.2 1 653 61 91 ILE CG1 C 27.2 0.2 1 654 61 91 ILE CG2 C 18.2 0.2 1 655 61 91 ILE CD1 C 9.8 0.2 1 656 61 91 ILE N N 128.4 0.2 1 657 62 92 SER H H 8.46 0.02 1 658 62 92 SER HA H 4.45 0.02 1 659 62 92 SER HB2 H 3.84 0.02 2 660 62 92 SER HB3 H 4.1 0.02 2 661 62 92 SER C C 176.5 0.2 1 662 62 92 SER CA C 58.6 0.2 1 663 62 92 SER CB C 63.7 0.2 1 664 62 92 SER N N 121.7 0.2 1 665 63 93 LYS H H 9.04 0.02 1 666 63 93 LYS HA H 3.88 0.02 1 667 63 93 LYS HB2 H 2.06 0.02 2 668 63 93 LYS HB3 H 2.21 0.02 2 669 63 93 LYS HG2 H 1.7 0.02 1 670 63 93 LYS HG3 H 1.7 0.02 1 671 63 93 LYS HD2 H 1.96 0.02 1 672 63 93 LYS HD3 H 1.96 0.02 1 673 63 93 LYS HE2 H 3.15 0.02 2 674 63 93 LYS HE3 H 3.2 0.02 2 675 63 93 LYS C C 178.1 0.2 1 676 63 93 LYS CA C 60.4 0.2 1 677 63 93 LYS CB C 32.3 0.2 1 678 63 93 LYS CG C 25.5 0.2 1 679 63 93 LYS CD C 29.5 0.2 1 680 63 93 LYS CE C 42.3 0.2 1 681 63 93 LYS N N 126.7 0.2 1 682 64 94 LYS H H 8.04 0.02 1 683 64 94 LYS HA H 4.22 0.02 1 684 64 94 LYS HB2 H 1.84 0.02 2 685 64 94 LYS HB3 H 1.9 0.02 2 686 64 94 LYS HG2 H 1.5 0.02 1 687 64 94 LYS HG3 H 1.5 0.02 1 688 64 94 LYS HD2 H 1.74 0.02 1 689 64 94 LYS HD3 H 1.74 0.02 1 690 64 94 LYS HE2 H 3.04 0.02 1 691 64 94 LYS HE3 H 3.04 0.02 1 692 64 94 LYS C C 176.9 0.2 1 693 64 94 LYS CA C 57.9 0.2 1 694 64 94 LYS CB C 32.4 0.2 1 695 64 94 LYS CG C 25.1 0.2 1 696 64 94 LYS CD C 29.1 0.2 1 697 64 94 LYS CE C 42 0.2 1 698 64 94 LYS N N 114.8 0.2 1 699 65 95 ARG H H 7.99 0.02 1 700 65 95 ARG HA H 4.35 0.02 1 701 65 95 ARG HB2 H 1.69 0.02 2 702 65 95 ARG HB3 H 1.94 0.02 2 703 65 95 ARG HG2 H 1.53 0.02 2 704 65 95 ARG HG3 H 1.63 0.02 2 705 65 95 ARG HD2 H 3.2 0.02 2 706 65 95 ARG HD3 H 3.35 0.02 2 707 65 95 ARG C C 176.1 0.2 1 708 65 95 ARG CA C 56 0.2 1 709 65 95 ARG CB C 32.4 0.2 1 710 65 95 ARG CG C 28.7 0.2 1 711 65 95 ARG CD C 43.5 0.2 1 712 65 95 ARG N N 116.5 0.2 1 713 66 96 VAL H H 6.82 0.02 1 714 66 96 VAL HA H 2.85 0.02 1 715 66 96 VAL HB H 1.33 0.02 1 716 66 96 VAL HG1 H -0.55 0.02 1 717 66 96 VAL HG2 H 0.21 0.02 1 718 66 96 VAL C C 174.4 0.2 1 719 66 96 VAL CA C 65.2 0.2 1 720 66 96 VAL CB C 32.3 0.2 1 721 66 96 VAL CG1 C 21.1 0.02 1 722 66 96 VAL CG2 C 23.1 0.02 1 723 66 96 VAL N N 120 0.2 1 724 67 97 GLU H H 7.29 0.02 1 725 67 97 GLU HA H 4.38 0.02 1 726 67 97 GLU HB2 H 1.62 0.02 2 727 67 97 GLU HB3 H 1.84 0.02 2 728 67 97 GLU HG2 H 1.99 0.02 2 729 67 97 GLU HG3 H 2.09 0.02 2 730 67 97 GLU C C 173.8 0.2 1 731 67 97 GLU CA C 54.5 0.2 1 732 67 97 GLU CB C 30.7 0.2 1 733 67 97 GLU CG C 35.9 0.2 1 734 67 97 GLU N N 126.2 0.2 1 735 68 98 PHE H H 8.35 0.02 1 736 68 98 PHE HA H 5.4 0.02 1 737 68 98 PHE HB2 H 2.71 0.02 2 738 68 98 PHE HB3 H 2.87 0.02 2 739 68 98 PHE HD1 H 6.98 0.02 1 740 68 98 PHE HD2 H 6.98 0.02 1 741 68 98 PHE HE1 H 7.2 0.02 1 742 68 98 PHE HE2 H 7.2 0.02 1 743 68 98 PHE HZ H 6.95 0.02 1 744 68 98 PHE C C 176.2 0.2 1 745 68 98 PHE CA C 57.8 0.2 1 746 68 98 PHE CB C 41.1 0.2 1 747 68 98 PHE CD1 C 132.1 0.02 1 748 68 98 PHE CD2 C 132.1 0.02 1 749 68 98 PHE CE1 C 131.5 0.02 1 750 68 98 PHE CE2 C 131.5 0.02 1 751 68 98 PHE CZ C 129.1 0.2 1 752 68 98 PHE N N 124.5 0.2 1 753 69 99 VAL H H 8.8 0.02 1 754 69 99 VAL HA H 4.72 0.02 1 755 69 99 VAL HB H 2.25 0.02 1 756 69 99 VAL HG1 H 0.85 0.02 1 757 69 99 VAL HG2 H 0.8 0.02 1 758 69 99 VAL C C 175.1 0.2 1 759 69 99 VAL CA C 58.9 0.2 1 760 69 99 VAL CB C 35.7 0.2 1 761 69 99 VAL CG1 C 21.7 0.02 1 762 69 99 VAL CG2 C 19 0.02 1 763 69 99 VAL N N 115.6 0.2 1 764 70 100 LEU H H 8.51 0.02 1 765 70 100 LEU HA H 4.46 0.02 1 766 70 100 LEU HB2 H 1.66 0.02 1 767 70 100 LEU HB3 H 1.66 0.02 1 768 70 100 LEU HG H 1.74 0.02 1 769 70 100 LEU HD1 H 0.96 0.02 1 770 70 100 LEU HD2 H 0.83 0.02 1 771 70 100 LEU C C 176.5 0.2 1 772 70 100 LEU CA C 55.8 0.2 1 773 70 100 LEU CB C 41.8 0.2 1 774 70 100 LEU CG C 27.2 0.2 1 775 70 100 LEU CD1 C 25.7 0.02 1 776 70 100 LEU CD2 C 23.5 0.02 1 777 70 100 LEU N N 122.1 0.2 1 778 71 101 ALA H H 7.99 0.02 1 779 71 101 ALA HA H 4.07 0.02 1 780 71 101 ALA HB H 1.3 0.02 1 781 71 101 ALA CA C 53.8 0.2 1 782 71 101 ALA CB C 20.5 0.2 1 783 71 101 ALA N N 129.7 0.2 1 stop_ save_ save_spectral_peak_list_1 _Saveframe_category spectral_peak_list _Experiment_label $3D_1H-15N_NOESY_1 _Number_of_spectral_dimensions ? loop_ _Expt_dimension_ID _Atom_type _Spectral_region 1 H H 2 H H 3 N HN stop_ _Sample_label $sample_1 _Sample_conditions_label $sample_conditions_1 _Text_data_format text _Text_data ; YfgJ_n15_noesy.list w1 w2 w3 Data Height 125.088 1.051 9.177 1583689 119.981 1.604 8.544 1785142 124.101 4.765 7.831 17168572 124.278 2.928 7.841 505915 126.591 4.786 8.230 17716636 124.081 4.771 8.483 12963020 126.638 2.464 8.571 1603256 116.718 7.977 7.648 3121958 121.642 2.749 8.775 1358839 122.520 9.199 8.718 430472 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53.045 1.933 1.635 443185 41.148 3.396 2.861 324258 41.085 4.308 2.860 179739 41.167 0.572 2.854 183746 41.160 0.798 2.860 371032 41.151 6.862 2.853 255890 41.191 1.370 2.869 289505 41.192 -0.548 2.858 685272 41.180 0.220 2.851 648682 41.190 7.317 2.858 1383315 41.171 2.854 2.862 7728132 32.131 3.924 1.343 121411 32.276 6.847 1.350 628764 32.180 2.864 1.354 177148 32.277 1.354 1.358 5305140 32.277 -0.541 1.356 683242 32.282 0.224 1.354 859176 32.319 7.226 1.359 155837 45.158 4.209 -0.536 257127 45.191 1.066 -0.532 731555 45.234 9.201 -0.530 167799 45.087 0.569 -0.575 382050 45.112 6.825 -0.528 86174 45.167 2.856 -0.529 435426 45.175 1.357 -0.530 671051 45.195 -0.536 -0.532 22533818 45.192 0.231 -0.530 980264 45.222 7.310 -0.528 463231 45.082 6.979 -0.530 223560