data_6514 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for Psuedomonas Aeruginosa protein PA4608 ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ramelot Theresa A. . 2 Yee Adelinda A. . 3 Arrowsmith Cheryl H. . 4 Kennedy Michael A. . stop_ _BMRB_accession_number 6514 _BMRB_flat_file_name bmr6514.str _Entry_type new _Submission_date 2005-02-17 _Accession_date 2005-02-18 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details "Northeast Structural Genomics Target PaT7" loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 coupling_constants 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 639 '13C chemical shifts' 486 '15N chemical shifts' 108 'coupling constants' 66 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Solution NMR Structure of Pseudomonas Aeruginosa PA4608. Northeast Structural Genomics Target PaT7. ; _Citation_status published _Citation_type "BMRB only" _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ramelot Theresa A. . 2 Yee Adelinda A. . 3 Arrowsmith Cheryl H. . 4 Kennedy Michael A. . stop_ _Journal_abbreviation ? _Journal_volume ? _Journal_issue ? _Page_first ? _Page_last ? _Year ? save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PA4608 _Abbreviation_common ? loop_ _Mol_system_component_name _Mol_label PA4608 $PA4608 stop_ _System_molecular_weight 14.6 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state "all free" _Details "protein monomer" save_ ######################## # Monomeric polymers # ######################## save_PA4608 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PA4608 _Mol_thiol_state "all free" ############################## # Polymer residue sequence # ############################## _Residue_count 125 _Mol_residue_sequence ; MSDQHDERRRFHRIAFDADS EILQGERRWEVLLHDVSLHG ILVGQPQDWNGDPQRPFEAR LYLGLDVLIRMEISLAWARD GLLGFECQHIDLDSISHLRR LVELNLGDEELLERELALLV SAHDD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 ASP 4 GLN 5 HIS 6 ASP 7 GLU 8 ARG 9 ARG 10 ARG 11 PHE 12 HIS 13 ARG 14 ILE 15 ALA 16 PHE 17 ASP 18 ALA 19 ASP 20 SER 21 GLU 22 ILE 23 LEU 24 GLN 25 GLY 26 GLU 27 ARG 28 ARG 29 TRP 30 GLU 31 VAL 32 LEU 33 LEU 34 HIS 35 ASP 36 VAL 37 SER 38 LEU 39 HIS 40 GLY 41 ILE 42 LEU 43 VAL 44 GLY 45 GLN 46 PRO 47 GLN 48 ASP 49 TRP 50 ASN 51 GLY 52 ASP 53 PRO 54 GLN 55 ARG 56 PRO 57 PHE 58 GLU 59 ALA 60 ARG 61 LEU 62 TYR 63 LEU 64 GLY 65 LEU 66 ASP 67 VAL 68 LEU 69 ILE 70 ARG 71 MET 72 GLU 73 ILE 74 SER 75 LEU 76 ALA 77 TRP 78 ALA 79 ARG 80 ASP 81 GLY 82 LEU 83 LEU 84 GLY 85 PHE 86 GLU 87 CYS 88 GLN 89 HIS 90 ILE 91 ASP 92 LEU 93 ASP 94 SER 95 ILE 96 SER 97 HIS 98 LEU 99 ARG 100 ARG 101 LEU 102 VAL 103 GLU 104 LEU 105 ASN 106 LEU 107 GLY 108 ASP 109 GLU 110 GLU 111 LEU 112 LEU 113 GLU 114 ARG 115 GLU 116 LEU 117 ALA 118 LEU 119 LEU 120 VAL 121 SER 122 ALA 123 HIS 124 ASP 125 ASP stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PA4608 "Pseudomonas Aeruginosa" ? Eubacteria ? Pseudomonas Aeruginosa stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $PA4608 "recombinant technology" E.coli Escherichia coli BL21 plasmid pet11 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PA4608 1 mM "[U-13C; U-15N]" stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model "Unity Inova" _Field_strength 600 save_ save_750MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model "Unity Inova" _Field_strength 750 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Saveframe_category NMR_applied_experiment _Experiment_name ; 1H15N HSQC ; save_ save_1H15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name "1H15N HSQC" _Sample_label ? save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.1 0.1 pH temperature 293 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 0.0 internal direct ? ? ? 1.0 DSS C 13 "methyl protons" ppm 0.0 . indirect ? ? ? 0.251449530 DSS N 15 "methyl protons" ppm 0.0 . indirect ? ? ? 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts loop_ _Experiment_label $NMR_experiment_list stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name PA4608 loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 14 ILE HA H 3.84 0.02 1 2 14 ILE HB H 2.05 0.02 1 3 14 ILE HG12 H 0.83 0.02 2 4 14 ILE HG13 H 1.61 0.02 2 5 14 ILE HG2 H 0.54 0.02 1 6 14 ILE HD1 H 0.76 0.02 1 7 14 ILE C C 172.7 0.2 1 8 14 ILE CA C 61.9 0.2 1 9 14 ILE CB C 36.7 0.2 1 10 14 ILE CG1 C 27.6 0.2 1 11 14 ILE CG2 C 17.8 0.2 1 12 14 ILE CD1 C 13.0 0.2 1 13 15 ALA H H 7.44 0.02 1 14 15 ALA HA H 4.22 0.02 1 15 15 ALA HB H 1.11 0.02 1 16 15 ALA CA C 51.1 0.2 1 17 15 ALA CB C 20.3 0.2 1 18 15 ALA N N 126.2 0.2 1 19 16 PHE H H 7.24 0.02 1 20 16 PHE HA H 4.60 0.02 1 21 16 PHE HB2 H 2.84 0.02 2 22 16 PHE HB3 H 3.09 0.02 2 23 16 PHE HD1 H 6.85 0.02 1 24 16 PHE HD2 H 6.85 0.02 1 25 16 PHE HE1 H 6.85 0.02 1 26 16 PHE HE2 H 6.85 0.02 1 27 16 PHE HZ H 6.80 0.02 1 28 16 PHE CA C 55.9 0.2 1 29 16 PHE CB C 39.9 0.2 1 30 16 PHE CD1 C 132.2 0.2 1 31 16 PHE CD2 C 132.2 0.2 1 32 16 PHE CE1 C 130.6 0.2 1 33 16 PHE CE2 C 130.6 0.2 1 34 16 PHE CZ C 128.8 0.2 1 35 16 PHE N N 117.2 0.2 1 36 17 ASP HA H 4.64 0.02 1 37 17 ASP HB2 H 2.57 0.02 2 38 17 ASP HB3 H 2.70 0.02 2 39 17 ASP C C 174.8 0.2 1 40 17 ASP CA C 54.2 0.2 1 41 17 ASP CB C 40.4 0.2 1 42 18 ALA H H 7.81 0.02 1 43 18 ALA HA H 4.62 0.02 1 44 18 ALA HB H 1.19 0.02 1 45 18 ALA C C 176.4 0.2 1 46 18 ALA CA C 51.5 0.2 1 47 18 ALA CB C 21.5 0.2 1 48 18 ALA N N 123.98 0.2 1 49 19 ASP H H 8.32 0.02 1 50 19 ASP HA H 5.01 0.02 1 51 19 ASP HB2 H 2.67 0.02 2 52 19 ASP HB3 H 2.78 0.02 2 53 19 ASP C C 175.5 0.2 1 54 19 ASP CA C 54.5 0.2 1 55 19 ASP CB C 41.7 0.2 1 56 19 ASP N N 121.5 0.2 1 57 20 SER H H 8.95 0.02 1 58 20 SER HA H 5.56 0.02 1 59 20 SER HB2 H 3.40 0.02 2 60 20 SER HB3 H 3.91 0.02 2 61 20 SER C C 173.6 0.2 1 62 20 SER CA C 58.1 0.2 1 63 20 SER CB C 64.9 0.2 1 64 20 SER N N 119.0 0.2 1 65 21 GLU H H 9.14 0.02 1 66 21 GLU HA H 5.55 0.02 1 67 21 GLU HB2 H 1.99 0.02 2 68 21 GLU HB3 H 2.13 0.02 2 69 21 GLU HG2 H 2.24 0.02 2 70 21 GLU HG3 H 2.44 0.02 2 71 21 GLU C C 174.1 0.2 1 72 21 GLU CA C 54.1 0.2 1 73 21 GLU CB C 34.3 0.2 1 74 21 GLU CG C 36.3 0.2 1 75 21 GLU N N 122.56 0.2 1 76 22 ILE H H 9.09 0.02 1 77 22 ILE HA H 5.25 0.02 1 78 22 ILE HB H 2.10 0.02 1 79 22 ILE HG12 H 1.26 0.02 2 80 22 ILE HG13 H 1.38 0.02 2 81 22 ILE HG2 H 1.02 0.02 1 82 22 ILE HD1 H 0.25 0.02 1 83 22 ILE C C 174.5 0.2 1 84 22 ILE CA C 58.0 0.2 1 85 22 ILE CB C 39.5 0.2 1 86 22 ILE CG1 C 27.5 0.2 1 87 22 ILE CG2 C 18.9 0.2 1 88 22 ILE CD1 C 11.0 0.2 1 89 22 ILE N N 119.9 0.2 1 90 23 LEU H H 9.79 0.02 1 91 23 LEU HA H 5.57 0.02 1 92 23 LEU HB2 H 1.69 0.02 2 93 23 LEU HB3 H 1.83 0.02 2 94 23 LEU HG H 1.64 0.02 1 95 23 LEU HD1 H 0.84 0.02 1 96 23 LEU HD2 H 0.84 0.02 1 97 23 LEU C C 177.1 0.2 1 98 23 LEU CA C 54.5 0.2 1 99 23 LEU CB C 45.5 0.2 1 100 23 LEU CG C 28.9 0.2 1 101 23 LEU CD1 C 25.2 0.2 1 102 23 LEU CD2 C 25.2 0.2 1 103 23 LEU N N 125.8 0.2 1 104 24 GLN H H 8.53 0.02 1 105 24 GLN HA H 4.45 0.02 1 106 24 GLN HB2 H 2.22 0.02 2 107 24 GLN HB3 H 2.33 0.02 2 108 24 GLN HG2 H 1.79 0.02 2 109 24 GLN HG3 H 2.13 0.02 2 110 24 GLN CA C 56.8 0.2 1 111 24 GLN CB C 32.8 0.2 1 112 24 GLN CG C 34.2 0.2 1 113 24 GLN N N 121.1 0.2 1 114 25 GLY HA2 H 3.66 0.02 2 115 25 GLY HA3 H 3.95 0.02 2 116 25 GLY CA C 47.1 0.2 1 117 26 GLU HA H 4.26 0.02 1 118 26 GLU HB2 H 1.85 0.02 2 119 26 GLU HB3 H 2.15 0.02 2 120 26 GLU HG2 H 2.22 0.02 1 121 26 GLU HG3 H 2.22 0.02 1 122 26 GLU C C 176.2 0.2 1 123 26 GLU CA C 56.5 0.2 1 124 26 GLU CB C 29.7 0.2 1 125 26 GLU CG C 36.3 0.2 1 126 27 ARG H H 7.96 0.02 1 127 27 ARG HA H 4.08 0.02 1 128 27 ARG HB2 H 0.77 0.02 2 129 27 ARG HB3 H 1.63 0.02 2 130 27 ARG HG2 H 1.30 0.02 2 131 27 ARG HG3 H 1.46 0.02 2 132 27 ARG HD2 H 3.09 0.02 1 133 27 ARG HD3 H 3.09 0.02 1 134 27 ARG C C 174.6 0.2 1 135 27 ARG CA C 55.4 0.2 1 136 27 ARG CB C 31.7 0.2 1 137 27 ARG CG C 27.1 0.2 1 138 27 ARG CD C 42.8 0.2 1 139 27 ARG N N 120.8 0.2 1 140 28 ARG H H 7.56 0.02 1 141 28 ARG HA H 5.10 0.02 1 142 28 ARG HB2 H 1.55 0.02 1 143 28 ARG HB3 H 1.55 0.02 1 144 28 ARG HG2 H 1.28 0.02 2 145 28 ARG HG3 H 1.39 0.02 2 146 28 ARG HD2 H 3.01 0.02 1 147 28 ARG HD3 H 3.01 0.02 1 148 28 ARG C C 174.4 0.2 1 149 28 ARG CA C 54.3 0.2 1 150 28 ARG CB C 34.0 0.2 1 151 28 ARG CG C 26.5 0.2 1 152 28 ARG CD C 43.5 0.2 1 153 28 ARG N N 120.6 0.2 1 154 29 TRP H H 9.70 0.02 1 155 29 TRP HA H 5.01 0.02 1 156 29 TRP HB2 H 3.18 0.02 1 157 29 TRP HB3 H 3.18 0.02 1 158 29 TRP HD1 H 7.50 0.02 1 159 29 TRP HE1 H 9.63 0.02 1 160 29 TRP HE3 H 7.90 0.02 1 161 29 TRP HZ2 H 7.20 0.02 1 162 29 TRP HZ3 H 6.96 0.02 1 163 29 TRP HH2 H 6.94 0.02 1 164 29 TRP C C 175.2 0.2 1 165 29 TRP CA C 58.1 0.2 1 166 29 TRP CB C 32.6 0.2 1 167 29 TRP CD1 C 127.1 0.2 1 168 29 TRP CE3 C 122.4 0.2 1 169 29 TRP CZ2 C 113.9 0.2 1 170 29 TRP CZ3 C 120.8 0.2 1 171 29 TRP CH2 C 124.0 0.2 1 172 29 TRP N N 123.2 0.2 1 173 29 TRP NE1 N 128.0 0.2 1 174 30 GLU H H 8.91 0.02 1 175 30 GLU HA H 4.73 0.02 1 176 30 GLU HB2 H 2.11 0.02 1 177 30 GLU HB3 H 2.11 0.02 1 178 30 GLU HG2 H 2.31 0.02 2 179 30 GLU HG3 H 2.46 0.02 2 180 30 GLU C C 176.9 0.2 1 181 30 GLU CA C 57.0 0.2 1 182 30 GLU CB C 30.2 0.2 1 183 30 GLU CG C 36.5 0.2 1 184 30 GLU N N 125.3 0.2 1 185 31 VAL H H 8.02 0.02 1 186 31 VAL HA H 5.07 0.02 1 187 31 VAL HB H 2.15 0.02 1 188 31 VAL HG1 H 0.52 0.02 1 189 31 VAL HG2 H 0.81 0.02 1 190 31 VAL C C 173.9 0.2 1 191 31 VAL CA C 58.4 0.2 1 192 31 VAL CB C 36.8 0.2 1 193 31 VAL CG1 C 17.9 0.2 1 194 31 VAL CG2 C 21.9 0.2 1 195 31 VAL N N 114.4 0.2 1 196 32 LEU H H 8.79 0.02 1 197 32 LEU HA H 4.57 0.02 1 198 32 LEU HB2 H 1.48 0.02 2 199 32 LEU HB3 H 1.57 0.02 2 200 32 LEU HG H 1.26 0.02 1 201 32 LEU HD1 H 0.87 0.02 1 202 32 LEU HD2 H 0.73 0.02 1 203 32 LEU C C 176.2 0.2 1 204 32 LEU CA C 53.4 0.2 1 205 32 LEU CB C 43.0 0.2 1 206 32 LEU CG C 27.0 0.2 1 207 32 LEU CD1 C 23.9 0.2 1 208 32 LEU CD2 C 24.8 0.2 1 209 32 LEU N N 123.1 0.2 1 210 33 LEU H H 8.73 0.02 1 211 33 LEU HA H 4.25 0.02 1 212 33 LEU HB2 H 1.46 0.02 1 213 33 LEU HB3 H 1.84 0.02 1 214 33 LEU HG H 1.30 0.02 1 215 33 LEU HD1 H 0.80 0.02 1 216 33 LEU HD2 H 0.57 0.02 1 217 33 LEU C C 176.0 0.2 1 218 33 LEU CA C 56.0 0.2 1 219 33 LEU CB C 43.1 0.2 1 220 33 LEU CG C 26.9 0.2 1 221 33 LEU CD1 C 24.8 0.2 1 222 33 LEU CD2 C 26.5 0.2 1 223 33 LEU N N 128.6 0.2 1 224 34 HIS H H 9.01 0.02 1 225 34 HIS HA H 4.47 0.02 1 226 34 HIS HB2 H 2.73 0.02 2 227 34 HIS HB3 H 3.10 0.02 2 228 34 HIS HD2 H 6.86 0.02 1 229 34 HIS HE1 H 7.27 0.02 1 230 34 HIS C C 174.0 0.2 1 231 34 HIS CA C 59.0 0.2 1 232 34 HIS CB C 33.1 0.2 1 233 34 HIS CD2 C 115.5 0.2 1 234 34 HIS CE1 C 137.6 0.2 1 235 34 HIS N N 125.7 0.2 1 236 35 ASP H H 8.09 0.02 1 237 35 ASP HA H 5.15 0.02 1 238 35 ASP HB2 H 2.37 0.02 2 239 35 ASP HB3 H 3.61 0.02 2 240 35 ASP C C 173.5 0.2 1 241 35 ASP CA C 53.0 0.2 1 242 35 ASP CB C 43.7 0.2 1 243 35 ASP N N 115.0 0.2 1 244 36 VAL H H 8.98 0.02 1 245 36 VAL HA H 4.80 0.02 1 246 36 VAL HB H 2.07 0.02 1 247 36 VAL HG1 H 0.76 0.02 1 248 36 VAL HG2 H 1.04 0.02 1 249 36 VAL C C 169.8 0.2 1 250 36 VAL CA C 60.4 0.2 1 251 36 VAL CB C 35.5 0.2 1 252 36 VAL CG1 C 19.4 0.2 1 253 36 VAL CG2 C 22.5 0.2 1 254 36 VAL N N 121.4 0.2 1 255 37 SER H H 8.69 0.02 1 256 37 SER HA H 4.53 0.02 1 257 37 SER HB2 H 3.89 0.02 2 258 37 SER HB3 H 4.47 0.02 2 259 37 SER C C 171.7 0.2 1 260 37 SER CA C 56.3 0.2 1 261 37 SER CB C 66.4 0.2 1 262 37 SER N N 118.3 0.2 1 263 38 LEU H H 8.69 0.02 1 264 38 LEU HA H 3.93 0.02 1 265 38 LEU HB2 H 1.04 0.02 2 266 38 LEU HB3 H 1.10 0.02 2 267 38 LEU HG H 1.62 0.02 1 268 38 LEU HD1 H 0.73 0.02 1 269 38 LEU HD2 H 0.78 0.02 1 270 38 LEU C C 176.0 0.2 1 271 38 LEU CA C 56.7 0.2 1 272 38 LEU CB C 40.7 0.2 1 273 38 LEU CG C 27.4 0.2 1 274 38 LEU CD1 C 25.4 0.2 1 275 38 LEU CD2 C 23.9 0.2 1 276 38 LEU N N 112.7 0.2 1 277 39 HIS H H 8.01 0.02 1 278 39 HIS HA H 4.73 0.02 1 279 39 HIS HB2 H 2.90 0.02 2 280 39 HIS HB3 H 3.42 0.02 2 281 39 HIS HD2 H 6.61 0.02 1 282 39 HIS HE1 H 5.90 0.02 1 283 39 HIS C C 177.5 0.2 1 284 39 HIS CA C 55.8 0.2 1 285 39 HIS CB C 32.2 0.2 1 286 39 HIS CD2 C 119.8 0.2 1 287 39 HIS CE1 C 138.6 0.2 1 288 39 HIS N N 111.0 0.2 1 289 40 GLY H H 7.71 0.02 1 290 40 GLY HA2 H 4.03 0.02 2 291 40 GLY HA3 H 4.34 0.02 2 292 40 GLY C C 168.1 0.2 1 293 40 GLY CA C 46.4 0.2 1 294 40 GLY N N 111.4 0.2 1 295 41 ILE H H 8.48 0.02 1 296 41 ILE HA H 4.66 0.02 1 297 41 ILE HB H 1.73 0.02 1 298 41 ILE HG12 H 0.81 0.02 2 299 41 ILE HG13 H 1.64 0.02 2 300 41 ILE HG2 H 0.71 0.02 1 301 41 ILE HD1 H 0.54 0.02 1 302 41 ILE C C 170.4 0.2 1 303 41 ILE CA C 60.8 0.2 1 304 41 ILE CB C 41.8 0.2 1 305 41 ILE CG1 C 27.8 0.2 1 306 41 ILE CG2 C 16.8 0.2 1 307 41 ILE CD1 C 14.2 0.2 1 308 41 ILE N N 113.1 0.2 1 309 42 LEU H H 8.45 0.02 1 310 42 LEU HA H 5.25 0.02 1 311 42 LEU HB2 H 1.79 0.02 2 312 42 LEU HB3 H 1.05 0.02 2 313 42 LEU HG H 1.15 0.02 1 314 42 LEU HD1 H 0.86 0.02 1 315 42 LEU HD2 H 0.64 0.02 1 316 42 LEU C C 175.8 0.2 1 317 42 LEU CA C 53.4 0.2 1 318 42 LEU CB C 46.3 0.2 1 319 42 LEU CG C 27.5 0.2 1 320 42 LEU CD1 C 25.3 0.2 1 321 42 LEU CD2 C 25.4 0.2 1 322 42 LEU N N 128.5 0.2 1 323 43 VAL H H 8.65 0.02 1 324 43 VAL HA H 5.46 0.02 1 325 43 VAL HB H 2.13 0.02 1 326 43 VAL HG1 H 0.79 0.02 1 327 43 VAL HG2 H 0.67 0.02 1 328 43 VAL C C 174.5 0.2 1 329 43 VAL CA C 57.5 0.2 1 330 43 VAL CB C 35.9 0.2 1 331 43 VAL CG1 C 21.6 0.2 1 332 43 VAL CG2 C 19.7 0.2 1 333 43 VAL N N 117.5 0.2 1 334 44 GLY H H 8.96 0.02 1 335 44 GLY HA2 H 3.78 0.02 2 336 44 GLY HA3 H 4.27 0.02 2 337 44 GLY C C 174.3 0.2 1 338 44 GLY CA C 44.9 0.2 1 339 44 GLY N N 106.9 0.2 1 340 45 GLN H H 8.61 0.02 1 341 45 GLN HA H 3.73 0.02 1 342 45 GLN HB2 H 1.31 0.02 2 343 45 GLN HB3 H 1.64 0.02 2 344 45 GLN HG2 H 2.32 0.02 1 345 45 GLN HG3 H 2.32 0.02 1 346 45 GLN HE21 H 7.70 0.02 1 347 45 GLN HE22 H 6.87 0.02 1 348 45 GLN CA C 54.0 0.2 1 349 45 GLN CB C 29.2 0.2 1 350 45 GLN CG C 33.2 0.2 1 351 45 GLN N N 126.8 0.2 1 352 45 GLN NE2 N 112.6 0.2 1 353 46 PRO HD2 H 3.05 0.02 2 354 46 PRO HD3 H 3.75 0.02 2 355 46 PRO CD C 50.2 0.2 1 356 47 GLN HA H 4.14 0.02 1 357 47 GLN HB2 H 2.15 0.02 1 358 47 GLN HB3 H 2.15 0.02 1 359 47 GLN HG2 H 2.49 0.02 1 360 47 GLN HG3 H 2.49 0.02 1 361 47 GLN C C 176.2 0.2 1 362 47 GLN CA C 57.9 0.2 1 363 47 GLN CB C 28.7 0.2 1 364 47 GLN CG C 33.7 0.2 1 365 48 ASP H H 8.96 0.02 1 366 48 ASP HA H 4.61 0.02 1 367 48 ASP HB2 H 2.85 0.02 1 368 48 ASP HB3 H 2.85 0.02 1 369 48 ASP C C 176.3 0.2 1 370 48 ASP CA C 53.5 0.2 1 371 48 ASP CB C 39.4 0.2 1 372 48 ASP N N 118.1 0.2 1 373 49 TRP H H 7.66 0.02 1 374 49 TRP HA H 4.27 0.02 1 375 49 TRP HB2 H 3.07 0.02 2 376 49 TRP HB3 H 3.10 0.02 2 377 49 TRP HD1 H 6.98 0.02 1 378 49 TRP HE1 H 10.13 0.02 1 379 49 TRP HE3 H 5.94 0.02 1 380 49 TRP HZ2 H 6.77 0.02 1 381 49 TRP HZ3 H 5.46 0.02 1 382 49 TRP HH2 H 6.35 0.02 1 383 49 TRP CA C 57.5 0.2 1 384 49 TRP CB C 30.3 0.2 1 385 49 TRP CD1 C 128.0 0.2 1 386 49 TRP CE3 C 119.1 0.2 1 387 49 TRP CZ2 C 113.3 0.2 1 388 49 TRP CZ3 C 121.0 0.2 1 389 49 TRP CH2 C 124.5 0.2 1 390 49 TRP N N 118.9 0.2 1 391 49 TRP NE1 N 130.4 0.2 1 392 50 ASN H H 5.62 0.02 1 393 50 ASN HB2 H 2.50 0.02 2 394 50 ASN HB3 H 2.74 0.02 2 395 50 ASN HD21 H 7.70 0.02 2 396 50 ASN HD22 H 6.92 0.02 2 397 50 ASN C C 178.6 0.2 1 398 50 ASN N N 118.1 0.2 1 399 50 ASN ND2 N 112.8 0.2 1 400 51 GLY H H 6.64 0.02 1 401 51 GLY HA2 H 2.40 0.02 2 402 51 GLY HA3 H 3.63 0.02 2 403 51 GLY C C 170.9 0.2 1 404 51 GLY CA C 45.91 0.2 1 405 51 GLY N N 118.0 0.2 1 406 52 ASP H H 9.41 0.02 1 407 52 ASP HA H 4.96 0.02 1 408 52 ASP HB2 H 2.52 0.02 2 409 52 ASP HB3 H 2.76 0.02 2 410 52 ASP CA C 50.5 0.2 1 411 52 ASP CB C 41.5 0.2 1 412 52 ASP N N 123.6 0.2 1 413 53 PRO HA H 4.58 0.02 1 414 53 PRO HB2 H 2.13 0.02 2 415 53 PRO HB3 H 2.41 0.02 2 416 53 PRO HG2 H 1.99 0.02 2 417 53 PRO HG3 H 2.06 0.02 2 418 53 PRO HD2 H 3.96 0.02 2 419 53 PRO HD3 H 4.29 0.02 2 420 53 PRO C C 177.8 0.2 1 421 53 PRO CA C 64.0 0.2 1 422 53 PRO CB C 32.9 0.2 1 423 53 PRO CG C 27.1 0.2 1 424 53 PRO CD C 51.1 0.2 1 425 54 GLN H H 8.51 0.02 1 426 54 GLN HA H 4.39 0.02 1 427 54 GLN HB2 H 2.08 0.02 1 428 54 GLN HB3 H 2.32 0.02 1 429 54 GLN HG2 H 2.32 0.02 2 430 54 GLN HG3 H 2.43 0.02 2 431 54 GLN C C 175.3 0.2 1 432 54 GLN CA C 55.8 0.2 1 433 54 GLN CB C 28.9 0.2 1 434 54 GLN CG C 34.7 0.2 1 435 54 GLN N N 116.2 0.2 1 436 55 ARG H H 7.39 0.02 1 437 55 ARG HA H 4.83 0.02 1 438 55 ARG HB2 H 1.42 0.02 2 439 55 ARG HB3 H 1.77 0.02 2 440 55 ARG HG2 H 1.47 0.02 2 441 55 ARG HG3 H 1.54 0.02 2 442 55 ARG HD2 H 3.10 0.02 1 443 55 ARG HD3 H 3.10 0.02 1 444 55 ARG CA C 53.1 0.2 1 445 55 ARG CB C 32.6 0.2 1 446 55 ARG CG C 27.3 0.2 1 447 55 ARG CD C 43.5 0.2 1 448 55 ARG N N 119.4 0.2 1 449 56 PRO HA H 4.75 0.02 1 450 56 PRO HB2 H 2.02 0.02 2 451 56 PRO HB3 H 2.53 0.02 2 452 56 PRO HG2 H 2.01 0.02 1 453 56 PRO HG3 H 2.01 0.02 1 454 56 PRO HD2 H 3.53 0.02 2 455 56 PRO HD3 H 3.78 0.02 2 456 56 PRO C C 176.4 0.2 1 457 56 PRO CA C 63.3 0.2 1 458 56 PRO CB C 33.3 0.2 1 459 56 PRO CG C 27.4 0.2 1 460 56 PRO CD C 50.3 0.2 1 461 57 PHE H H 8.98 0.02 1 462 57 PHE HA H 5.39 0.02 1 463 57 PHE HB2 H 2.73 0.02 2 464 57 PHE HB3 H 3.01 0.02 2 465 57 PHE HD1 H 7.36 0.02 1 466 57 PHE HD2 H 7.36 0.02 1 467 57 PHE HE1 H 6.67 0.02 1 468 57 PHE HE2 H 6.67 0.02 1 469 57 PHE C C 175.3 0.2 1 470 57 PHE CA C 56.1 0.2 1 471 57 PHE CB C 43.7 0.2 1 472 57 PHE CD1 C 132.7 0.2 1 473 57 PHE CD2 C 132.7 0.2 1 474 57 PHE CE1 C 129.3 0.2 1 475 57 PHE CE2 C 129.3 0.2 1 476 57 PHE N N 117.8 0.2 1 477 58 GLU H H 9.32 0.02 1 478 58 GLU HA H 5.37 0.02 1 479 58 GLU HB2 H 2.06 0.02 1 480 58 GLU HB3 H 2.06 0.02 1 481 58 GLU HG2 H 2.07 0.02 2 482 58 GLU HG3 H 2.27 0.02 2 483 58 GLU C C 174.6 0.2 1 484 58 GLU CA C 55.1 0.2 1 485 58 GLU CB C 34.4 0.2 1 486 58 GLU CG C 37.6 0.2 1 487 58 GLU N N 122.5 0.2 1 488 59 ALA H H 9.31 0.02 1 489 59 ALA HA H 5.40 0.02 1 490 59 ALA HB H 1.05 0.02 1 491 59 ALA C C 176.2 0.2 1 492 59 ALA CA C 49.9 0.2 1 493 59 ALA CB C 21.1 0.2 1 494 59 ALA N N 125.7 0.2 1 495 60 ARG H H 8.82 0.02 1 496 60 ARG HA H 4.98 0.02 1 497 60 ARG HB2 H 1.26 0.02 2 498 60 ARG HB3 H 1.55 0.02 2 499 60 ARG HG2 H 1.40 0.02 1 500 60 ARG HG3 H 1.40 0.02 1 501 60 ARG HD2 H 3.14 0.02 1 502 60 ARG HD3 H 3.14 0.02 1 503 60 ARG C C 173.4 0.2 1 504 60 ARG CA C 55.3 0.2 1 505 60 ARG CB C 33.5 0.2 1 506 60 ARG CG C 28.3 0.2 1 507 60 ARG CD C 43.5 0.2 1 508 60 ARG N N 119.4 0.2 1 509 61 LEU H H 9.02 0.02 1 510 61 LEU HA H 4.98 0.02 1 511 61 LEU HB2 H 1.10 0.02 2 512 61 LEU HB3 H 1.77 0.02 2 513 61 LEU HG H 1.57 0.02 1 514 61 LEU HD1 H 0.72 0.02 1 515 61 LEU HD2 H 0.74 0.02 1 516 61 LEU C C 175.0 0.2 1 517 61 LEU CA C 52.8 0.2 1 518 61 LEU CB C 42.3 0.2 1 519 61 LEU CG C 27.4 0.2 1 520 61 LEU CD1 C 24.6 0.2 1 521 61 LEU CD2 C 23.7 0.2 1 522 61 LEU N N 123.1 0.2 1 523 62 TYR H H 9.03 0.02 1 524 62 TYR HA H 4.89 0.02 1 525 62 TYR HB2 H 3.05 0.02 1 526 62 TYR HB3 H 3.05 0.02 1 527 62 TYR HD1 H 7.13 0.02 1 528 62 TYR HD2 H 7.13 0.02 1 529 62 TYR HE1 H 6.63 0.02 1 530 62 TYR HE2 H 6.63 0.02 1 531 62 TYR C C 176.1 0.2 1 532 62 TYR CA C 57.4 0.2 1 533 62 TYR CB C 38.5 0.2 1 534 62 TYR CD1 C 133.8 0.2 1 535 62 TYR CD2 C 133.8 0.2 1 536 62 TYR CE1 C 117.9 0.2 1 537 62 TYR CE2 C 117.9 0.2 1 538 62 TYR N N 122.6 0.2 1 539 63 LEU H H 8.20 0.02 1 540 63 LEU HA H 4.56 0.02 1 541 63 LEU HB2 H 1.23 0.02 2 542 63 LEU HB3 H 1.56 0.02 2 543 63 LEU HG H 1.46 0.02 1 544 63 LEU HD1 H 0.52 0.02 2 545 63 LEU HD2 H 0.53 0.02 2 546 63 LEU C C 176.2 0.2 1 547 63 LEU CA C 54.6 0.2 1 548 63 LEU CB C 42.2 0.2 1 549 63 LEU CG C 28.1 0.2 1 550 63 LEU CD1 C 25.1 0.2 2 551 63 LEU CD2 C 25.3 0.2 2 552 63 LEU N N 126.1 0.2 1 553 64 GLY H H 7.82 0.02 1 554 64 GLY HA2 H 3.72 0.02 2 555 64 GLY HA3 H 4.01 0.02 2 556 64 GLY CA C 44.7 0.2 1 557 64 GLY N N 108.5 0.2 1 558 65 LEU HA H 4.09 0.02 1 559 65 LEU HB2 H 1.50 0.02 2 560 65 LEU HB3 H 1.64 0.02 2 561 65 LEU HG H 1.55 0.02 1 562 65 LEU HD1 H 0.82 0.02 2 563 65 LEU HD2 H 0.85 0.02 2 564 65 LEU C C 177.5 0.2 1 565 65 LEU CA C 56.4 0.2 1 566 65 LEU CB C 41.2 0.2 1 567 65 LEU CG C 26.9 0.2 1 568 65 LEU CD1 C 23.4 0.2 2 569 65 LEU CD2 C 24.8 0.2 2 570 66 ASP H H 8.43 0.02 1 571 66 ASP HA H 4.55 0.02 1 572 66 ASP HB2 H 2.73 0.02 1 573 66 ASP HB3 H 2.73 0.02 1 574 66 ASP C C 175.3 0.2 1 575 66 ASP CA C 54.7 0.2 1 576 66 ASP CB C 40.8 0.2 1 577 66 ASP N N 115.5 0.2 1 578 67 VAL H H 7.37 0.02 1 579 67 VAL HA H 3.63 0.02 1 580 67 VAL HB H 1.81 0.02 1 581 67 VAL HG1 H 0.12 0.02 1 582 67 VAL HG2 H 0.60 0.02 1 583 67 VAL C C 173.0 0.2 1 584 67 VAL CA C 62.9 0.2 1 585 67 VAL CB C 32.0 0.2 1 586 67 VAL CG1 C 20.6 0.2 1 587 67 VAL CG2 C 20.7 0.2 1 588 67 VAL N N 120.2 0.2 1 589 68 LEU H H 7.88 0.02 1 590 68 LEU HA H 4.92 0.02 1 591 68 LEU HB2 H 1.22 0.02 2 592 68 LEU HB3 H 1.57 0.02 2 593 68 LEU HG H 1.16 0.02 1 594 68 LEU HD1 H 0.40 0.02 1 595 68 LEU HD2 H 0.70 0.02 1 596 68 LEU C C 174.8 0.2 1 597 68 LEU CA C 53.6 0.2 1 598 68 LEU CB C 44.5 0.2 1 599 68 LEU CG C 27.6 0.2 1 600 68 LEU CD1 C 23.8 0.2 1 601 68 LEU CD2 C 25.7 0.2 1 602 68 LEU N N 130.5 0.2 1 603 69 ILE H H 8.81 0.02 1 604 69 ILE HA H 4.29 0.02 1 605 69 ILE HB H 1.76 0.02 1 606 69 ILE HG12 H 1.22 0.02 2 607 69 ILE HG13 H 1.42 0.02 2 608 69 ILE HG2 H 0.77 0.02 1 609 69 ILE HD1 H 0.65 0.02 1 610 69 ILE C C 173.4 0.2 1 611 69 ILE CA C 60.1 0.2 1 612 69 ILE CB C 39.4 0.2 1 613 69 ILE CG1 C 28.3 0.2 1 614 69 ILE CG2 C 17.3 0.2 1 615 69 ILE CD1 C 14.2 0.2 1 616 69 ILE N N 126.2 0.2 1 617 70 ARG H H 8.85 0.02 1 618 70 ARG HA H 5.43 0.02 1 619 70 ARG HB2 H 1.55 0.02 2 620 70 ARG HB3 H 1.75 0.02 2 621 70 ARG HG2 H 1.37 0.02 2 622 70 ARG HG3 H 1.55 0.02 2 623 70 ARG HD2 H 3.12 0.02 1 624 70 ARG HD3 H 3.12 0.02 1 625 70 ARG C C 175.3 0.2 1 626 70 ARG CA C 54.1 0.2 1 627 70 ARG CB C 33.6 0.2 1 628 70 ARG CG C 27.7 0.2 1 629 70 ARG CD C 43.4 0.2 1 630 70 ARG N N 126.8 0.2 1 631 71 MET H H 8.62 0.02 1 632 71 MET HA H 4.95 0.02 1 633 71 MET HB2 H 1.59 0.02 2 634 71 MET HB3 H 2.13 0.02 2 635 71 MET HG2 H 2.25 0.02 1 636 71 MET HG3 H 2.25 0.02 1 637 71 MET HE H 1.91 0.02 1 638 71 MET C C 174.8 0.2 1 639 71 MET CA C 54.8 0.2 1 640 71 MET CB C 38.9 0.2 1 641 71 MET CG C 32.1 0.2 1 642 71 MET CE C 17.0 0.2 1 643 71 MET N N 119.1 0.2 1 644 72 GLU H H 9.19 0.02 1 645 72 GLU HA H 4.93 0.02 1 646 72 GLU HB2 H 2.22 0.02 2 647 72 GLU HB3 H 2.32 0.02 2 648 72 GLU HG2 H 2.33 0.02 2 649 72 GLU HG3 H 2.49 0.02 2 650 72 GLU C C 176.9 0.2 1 651 72 GLU CA C 56.8 0.2 1 652 72 GLU CB C 30.0 0.2 1 653 72 GLU CG C 36.1 0.2 1 654 72 GLU N N 125.1 0.2 1 655 73 ILE H H 8.71 0.02 1 656 73 ILE HA H 5.64 0.02 1 657 73 ILE HB H 1.84 0.02 1 658 73 ILE HG12 H 0.80 0.02 2 659 73 ILE HG13 H 1.14 0.02 2 660 73 ILE HG2 H 0.62 0.02 1 661 73 ILE HD1 H -0.34 0.02 1 662 73 ILE C C 173.9 0.2 1 663 73 ILE CA C 59.4 0.2 1 664 73 ILE CB C 43.1 0.2 1 665 73 ILE CG1 C 25.5 0.2 1 666 73 ILE CG2 C 18.7 0.2 1 667 73 ILE CD1 C 12.5 0.2 1 668 73 ILE N N 118.8 0.2 1 669 74 SER H H 9.18 0.02 1 670 74 SER HA H 5.25 0.02 1 671 74 SER HB2 H 3.84 0.02 2 672 74 SER HB3 H 3.92 0.02 2 673 74 SER C C 174.0 0.2 1 674 74 SER CA C 56.3 0.2 1 675 74 SER CB C 65.5 0.2 1 676 74 SER N N 114.3 0.2 1 677 75 LEU H H 9.44 0.02 1 678 75 LEU HA H 3.65 0.02 1 679 75 LEU HB2 H 1.16 0.02 2 680 75 LEU HB3 H 1.92 0.02 2 681 75 LEU HG H 1.00 0.02 1 682 75 LEU HD1 H -0.23 0.02 1 683 75 LEU HD2 H 0.77 0.02 1 684 75 LEU C C 174.8 0.2 1 685 75 LEU CA C 56.3 0.2 1 686 75 LEU CB C 41.9 0.2 1 687 75 LEU CG C 26.8 0.2 1 688 75 LEU CD1 C 22.7 0.2 1 689 75 LEU CD2 C 26.8 0.2 1 690 75 LEU N N 127.2 0.2 1 691 76 ALA H H 8.98 0.02 1 692 76 ALA HA H 4.50 0.02 1 693 76 ALA HB H 1.09 0.02 1 694 76 ALA C C 177.7 0.2 1 695 76 ALA CA C 52.9 0.2 1 696 76 ALA CB C 20.9 0.2 1 697 76 ALA N N 134.0 0.2 1 698 77 TRP H H 7.36 0.02 1 699 77 TRP HA H 4.51 0.02 1 700 77 TRP HB2 H 2.99 0.02 2 701 77 TRP HB3 H 3.55 0.02 2 702 77 TRP HD1 H 6.88 0.02 1 703 77 TRP HE1 H 9.91 0.02 1 704 77 TRP HE3 H 7.03 0.02 1 705 77 TRP HZ2 H 7.10 0.02 1 706 77 TRP HZ3 H 6.64 0.02 1 707 77 TRP HH2 H 6.94 0.02 1 708 77 TRP C C 173.2 0.2 1 709 77 TRP CA C 55.1 0.2 1 710 77 TRP CB C 31.4 0.2 1 711 77 TRP CD1 C 128.9 0.2 1 712 77 TRP CE3 C 121.7 0.2 1 713 77 TRP CZ2 C 113.8 0.2 1 714 77 TRP CZ3 C 121.0 0.2 1 715 77 TRP CH2 C 125.0 0.2 1 716 77 TRP N N 112.6 0.2 1 717 77 TRP NE1 N 128.8 0.2 1 718 78 ALA H H 8.41 0.02 1 719 78 ALA HA H 5.18 0.02 1 720 78 ALA HB H 1.20 0.02 1 721 78 ALA C C 176.2 0.2 1 722 78 ALA CA C 51.4 0.2 1 723 78 ALA CB C 21.6 0.2 1 724 78 ALA N N 122.5 0.2 1 725 79 ARG H H 8.47 0.02 1 726 79 ARG HA H 4.59 0.02 1 727 79 ARG HB2 H 1.49 0.02 1 728 79 ARG HB3 H 1.82 0.02 1 729 79 ARG HG2 H 1.39 0.02 1 730 79 ARG HG3 H 1.39 0.02 1 731 79 ARG HD2 H 2.64 0.02 1 732 79 ARG HD3 H 2.64 0.02 1 733 79 ARG CA C 55.8 0.2 1 734 79 ARG CB C 32.7 0.2 1 735 79 ARG CG C 26.4 0.2 1 736 79 ARG CD C 43.1 0.2 1 737 79 ARG N N 121.3 0.2 1 738 80 ASP HA H 4.27 0.02 1 739 80 ASP HB2 H 2.59 0.02 2 740 80 ASP HB3 H 2.87 0.02 2 741 80 ASP C C 175.1 0.2 1 742 80 ASP CA C 55.4 0.2 1 743 80 ASP CB C 39.9 0.2 1 744 81 GLY H H 8.42 0.02 1 745 81 GLY HA2 H 3.51 0.02 2 746 81 GLY HA3 H 4.10 0.02 2 747 81 GLY C C 174.2 0.2 1 748 81 GLY CA C 46.0 0.2 1 749 81 GLY N N 104.0 0.2 1 750 82 LEU H H 8.35 0.02 1 751 82 LEU HA H 4.85 0.02 1 752 82 LEU HB2 H 1.22 0.02 2 753 82 LEU HB3 H 2.11 0.02 2 754 82 LEU HG H 1.50 0.02 1 755 82 LEU HD1 H 0.77 0.02 1 756 82 LEU HD2 H 0.25 0.02 1 757 82 LEU C C 175.5 0.2 1 758 82 LEU CA C 53.4 0.2 1 759 82 LEU CB C 45.3 0.2 1 760 82 LEU CG C 26.3 0.2 1 761 82 LEU CD1 C 25.9 0.2 1 762 82 LEU CD2 C 22.3 0.2 1 763 82 LEU N N 123.5 0.2 1 764 83 LEU H H 8.79 0.02 1 765 83 LEU HA H 4.32 0.02 1 766 83 LEU HB2 H 0.12 0.02 2 767 83 LEU HB3 H 1.20 0.02 2 768 83 LEU HG H 0.59 0.02 1 769 83 LEU HD1 H -0.83 0.02 1 770 83 LEU HD2 H 0.07 0.02 1 771 83 LEU C C 173.4 0.2 1 772 83 LEU CA C 53.1 0.2 1 773 83 LEU CB C 43.9 0.2 1 774 83 LEU CG C 25.8 0.2 1 775 83 LEU CD1 C 24.0 0.2 1 776 83 LEU CD2 C 22.5 0.2 1 777 83 LEU N N 119.9 0.2 1 778 84 GLY H H 7.68 0.02 1 779 84 GLY HA2 H 1.15 0.02 2 780 84 GLY HA3 H 4.07 0.02 2 781 84 GLY C C 171.3 0.2 1 782 84 GLY CA C 44.1 0.2 1 783 84 GLY N N 109.9 0.2 1 784 85 PHE H H 8.61 0.02 1 785 85 PHE HA H 5.15 0.02 1 786 85 PHE HB2 H 2.60 0.02 2 787 85 PHE HB3 H 2.80 0.02 2 788 85 PHE HD1 H 6.54 0.02 1 789 85 PHE HD2 H 6.54 0.02 1 790 85 PHE HE1 H 6.14 0.02 1 791 85 PHE HE2 H 6.14 0.02 1 792 85 PHE C C 175.3 0.2 1 793 85 PHE CA C 55.8 0.2 1 794 85 PHE CB C 42.0 0.2 1 795 85 PHE CD1 C 131.5 0.2 1 796 85 PHE CD2 C 131.5 0.2 1 797 85 PHE CE1 C 128.7 0.2 1 798 85 PHE CE2 C 128.7 0.2 1 799 85 PHE N N 122.5 0.2 1 800 86 GLU H H 8.97 0.02 1 801 86 GLU HA H 4.69 0.02 1 802 86 GLU HB2 H 1.97 0.02 2 803 86 GLU HB3 H 2.06 0.02 2 804 86 GLU HG2 H 2.28 0.02 1 805 86 GLU HG3 H 2.28 0.02 1 806 86 GLU C C 176.1 0.2 1 807 86 GLU CA C 55.2 0.2 1 808 86 GLU CB C 32.1 0.2 1 809 86 GLU CG C 37.4 0.2 1 810 86 GLU N N 120.9 0.2 1 811 87 CYS H H 8.16 0.02 1 812 87 CYS HA H 4.51 0.02 1 813 87 CYS HB2 H 2.30 0.02 2 814 87 CYS HB3 H 2.80 0.02 2 815 87 CYS C C 174.3 0.2 1 816 87 CYS CA C 58.5 0.2 1 817 87 CYS CB C 27.8 0.2 1 818 87 CYS N N 124.2 0.2 1 819 88 GLN H H 9.41 0.02 1 820 88 GLN HA H 4.54 0.02 1 821 88 GLN HB2 H 1.78 0.02 2 822 88 GLN HB3 H 2.19 0.02 2 823 88 GLN HG2 H 2.33 0.02 2 824 88 GLN HG3 H 2.46 0.02 2 825 88 GLN HE21 H 7.49 0.02 1 826 88 GLN HE22 H 6.81 0.02 1 827 88 GLN C C 176.1 0.2 1 828 88 GLN CA C 56.4 0.2 1 829 88 GLN CB C 29.7 0.2 1 830 88 GLN CG C 33.3 0.2 1 831 88 GLN N N 128.4 0.2 1 832 88 GLN NE2 N 112.4 0.2 1 833 89 HIS H H 7.90 0.02 1 834 89 HIS HA H 4.72 0.02 1 835 89 HIS HB2 H 2.79 0.02 2 836 89 HIS HB3 H 3.22 0.02 2 837 89 HIS HD2 H 6.83 0.02 1 838 89 HIS C C 172.0 0.2 1 839 89 HIS CA C 58.0 0.2 1 840 89 HIS CB C 33.1 0.2 1 841 89 HIS CD2 C 121.1 0.2 1 842 89 HIS N N 118.0 0.2 1 843 90 ILE H H 7.45 0.02 1 844 90 ILE HA H 4.41 0.02 1 845 90 ILE HB H 1.67 0.02 1 846 90 ILE HG12 H 1.23 0.02 2 847 90 ILE HG13 H 1.94 0.02 2 848 90 ILE HG2 H 0.81 0.02 1 849 90 ILE HD1 H 0.66 0.02 1 850 90 ILE C C 172.2 0.2 1 851 90 ILE CA C 59.9 0.2 1 852 90 ILE CB C 40.9 0.2 1 853 90 ILE CG1 C 27.9 0.2 1 854 90 ILE CG2 C 14.1 0.2 1 855 90 ILE CD1 C 13.7 0.2 1 856 90 ILE N N 126.3 0.2 1 857 91 ASP H H 8.23 0.02 1 858 91 ASP HA H 4.51 0.02 1 859 91 ASP HB2 H 2.77 0.02 1 860 91 ASP HB3 H 3.06 0.02 1 861 91 ASP C C 175.4 0.2 1 862 91 ASP CA C 53.5 0.2 1 863 91 ASP CB C 42.2 0.2 1 864 91 ASP N N 124.7 0.2 1 865 92 LEU H H 8.52 0.02 1 866 92 LEU HA H 3.94 0.02 1 867 92 LEU HB2 H 1.57 0.02 2 868 92 LEU HB3 H 1.78 0.02 2 869 92 LEU HG H 1.78 0.02 1 870 92 LEU HD1 H 0.95 0.02 1 871 92 LEU HD2 H 0.90 0.02 1 872 92 LEU C C 179.8 0.2 1 873 92 LEU CA C 58.5 0.2 1 874 92 LEU CB C 41.8 0.2 1 875 92 LEU CG C 27.1 0.2 1 876 92 LEU CD1 C 24.8 0.2 1 877 92 LEU CD2 C 23.6 0.2 1 878 92 LEU N N 118.8 0.2 1 879 93 ASP H H 8.38 0.02 1 880 93 ASP HA H 4.29 0.02 1 881 93 ASP HB2 H 2.59 0.02 2 882 93 ASP HB3 H 2.77 0.02 2 883 93 ASP C C 178.2 0.2 1 884 93 ASP CA C 57.5 0.2 1 885 93 ASP CB C 39.9 0.2 1 886 93 ASP N N 120.3 0.2 1 887 94 SER H H 8.27 0.02 1 888 94 SER HA H 4.28 0.02 1 889 94 SER HB2 H 3.77 0.02 2 890 94 SER HB3 H 3.87 0.02 2 891 94 SER C C 175.9 0.2 1 892 94 SER CA C 63.7 0.2 1 893 94 SER CB C 62.4 0.2 1 894 94 SER N N 119.7 0.2 1 895 95 ILE H H 8.26 0.02 1 896 95 ILE HA H 3.35 0.02 1 897 95 ILE HB H 1.83 0.02 1 898 95 ILE HG12 H 0.68 0.02 2 899 95 ILE HG13 H 1.75 0.02 2 900 95 ILE HG2 H 0.84 0.02 1 901 95 ILE HD1 H 0.78 0.02 1 902 95 ILE C C 177.4 0.2 1 903 95 ILE CA C 66.6 0.2 1 904 95 ILE CB C 38.2 0.2 1 905 95 ILE CG1 C 29.1 0.2 1 906 95 ILE CG2 C 16.9 0.2 1 907 95 ILE CD1 C 13.5 0.2 1 908 95 ILE N N 121.5 0.2 1 909 96 SER H H 7.90 0.02 1 910 96 SER HA H 4.08 0.02 1 911 96 SER HB2 H 3.87 0.02 2 912 96 SER HB3 H 3.93 0.02 2 913 96 SER C C 177.6 0.2 1 914 96 SER CA C 62.0 0.2 1 915 96 SER CB C 62.2 0.2 1 916 96 SER N N 114.7 0.2 1 917 97 HIS H H 8.03 0.02 1 918 97 HIS HA H 4.58 0.02 1 919 97 HIS HB2 H 2.66 0.02 2 920 97 HIS HB3 H 3.10 0.02 2 921 97 HIS HD2 H 6.97 0.02 1 922 97 HIS CA C 59.1 0.2 1 923 97 HIS CB C 31.3 0.2 1 924 97 HIS CD2 C 119.5 0.2 1 925 97 HIS N N 120.4 0.2 1 926 98 LEU H H 8.08 0.02 1 927 98 LEU HA H 3.93 0.02 1 928 98 LEU HB2 H 1.35 0.02 2 929 98 LEU HB3 H 1.72 0.02 2 930 98 LEU HG H 0.63 0.02 1 931 98 LEU HD1 H 0.68 0.02 1 932 98 LEU HD2 H 0.67 0.02 1 933 98 LEU C C 178.3 0.2 1 934 98 LEU CA C 58.1 0.2 1 935 98 LEU CB C 41.8 0.2 1 936 98 LEU CG C 27.3 0.2 1 937 98 LEU CD1 C 24.6 0.2 1 938 98 LEU CD2 C 24.4 0.2 1 939 98 LEU N N 120.4 0.2 1 940 99 ARG H H 8.67 0.02 1 941 99 ARG HA H 3.80 0.02 1 942 99 ARG HB2 H 1.79 0.02 1 943 99 ARG HB3 H 1.79 0.02 1 944 99 ARG HG2 H 1.51 0.02 2 945 99 ARG HG3 H 1.78 0.02 2 946 99 ARG HD2 H 3.07 0.02 2 947 99 ARG HD3 H 3.18 0.02 2 948 99 ARG C C 178.9 0.2 1 949 99 ARG CA C 60.5 0.2 1 950 99 ARG CB C 29.6 0.2 1 951 99 ARG CG C 28.5 0.2 1 952 99 ARG CD C 43.2 0.2 1 953 99 ARG N N 117.0 0.2 1 954 100 ARG H H 7.99 0.02 1 955 100 ARG HA H 4.09 0.02 1 956 100 ARG HB2 H 1.93 0.02 2 957 100 ARG HB3 H 2.01 0.02 2 958 100 ARG HG2 H 1.56 0.02 2 959 100 ARG HG3 H 1.65 0.02 2 960 100 ARG HD2 H 3.15 0.02 2 961 100 ARG HD3 H 3.31 0.02 2 962 100 ARG C C 178.3 0.2 1 963 100 ARG CA C 58.9 0.2 1 964 100 ARG CB C 30.0 0.2 1 965 100 ARG CG C 27.0 0.2 1 966 100 ARG CD C 43.0 0.2 1 967 100 ARG N N 119.5 0.2 1 968 101 LEU H H 8.12 0.02 1 969 101 LEU HA H 3.93 0.02 1 970 101 LEU HB2 H 1.37 0.02 2 971 101 LEU HB3 H 1.72 0.02 2 972 101 LEU HG H 1.56 0.02 1 973 101 LEU HD1 H 0.33 0.02 1 974 101 LEU HD2 H 0.56 0.02 1 975 101 LEU C C 179.7 0.2 1 976 101 LEU CA C 58.0 0.2 1 977 101 LEU CB C 41.8 0.2 1 978 101 LEU CG C 27.2 0.2 1 979 101 LEU CD1 C 25.0 0.2 1 980 101 LEU CD2 C 23.5 0.2 1 981 101 LEU N N 119.8 0.2 1 982 102 VAL H H 7.99 0.02 1 983 102 VAL HA H 3.65 0.02 1 984 102 VAL HB H 2.17 0.02 1 985 102 VAL HG1 H 0.80 0.02 1 986 102 VAL HG2 H 1.06 0.02 1 987 102 VAL C C 177.9 0.2 1 988 102 VAL CA C 66.7 0.2 1 989 102 VAL CB C 31.5 0.2 1 990 102 VAL CG1 C 21.8 0.2 1 991 102 VAL CG2 C 23.8 0.2 1 992 102 VAL N N 119.4 0.2 1 993 103 GLU H H 8.09 0.02 1 994 103 GLU HA H 4.06 0.02 1 995 103 GLU HB2 H 2.15 0.02 1 996 103 GLU HB3 H 2.15 0.02 1 997 103 GLU HG2 H 2.36 0.02 1 998 103 GLU HG3 H 2.36 0.02 1 999 103 GLU C C 180.1 0.2 1 1000 103 GLU CA C 59.4 0.2 1 1001 103 GLU CB C 29.6 0.2 1 1002 103 GLU CG C 36.1 0.2 1 1003 103 GLU N N 121.4 0.2 1 1004 104 LEU H H 8.43 0.02 1 1005 104 LEU HA H 4.12 0.02 1 1006 104 LEU HB2 H 1.56 0.02 1 1007 104 LEU HB3 H 1.77 0.02 1 1008 104 LEU HG H 1.71 0.02 1 1009 104 LEU HD1 H 0.84 0.02 1 1010 104 LEU HD2 H 0.84 0.02 1 1011 104 LEU C C 177.9 0.2 1 1012 104 LEU CA C 57.2 0.2 1 1013 104 LEU CB C 42.3 0.2 1 1014 104 LEU CG C 26.8 0.2 1 1015 104 LEU CD1 C 23.5 0.2 2 1016 104 LEU CD2 C 24.8 0.2 2 1017 104 LEU N N 119.8 0.2 1 1018 105 ASN H H 7.52 0.02 1 1019 105 ASN HA H 4.68 0.02 1 1020 105 ASN HB2 H 2.54 0.02 2 1021 105 ASN HB3 H 2.72 0.02 2 1022 105 ASN HD21 H 7.66 0.02 1 1023 105 ASN HD22 H 7.25 0.02 1 1024 105 ASN C C 174.0 0.2 1 1025 105 ASN CA C 53.9 0.2 1 1026 105 ASN CB C 39.7 0.2 1 1027 105 ASN N N 114.9 0.2 1 1028 105 ASN ND2 N 113.7 0.2 1 1029 106 LEU H H 8.14 0.02 1 1030 106 LEU HA H 4.22 0.02 1 1031 106 LEU HB2 H 1.61 0.02 2 1032 106 LEU HB3 H 1.96 0.02 2 1033 106 LEU HG H 1.50 0.02 1 1034 106 LEU HD1 H 0.89 0.02 1 1035 106 LEU HD2 H 0.82 0.02 1 1036 106 LEU C C 177.4 0.2 1 1037 106 LEU CA C 55.7 0.2 1 1038 106 LEU CB C 40.0 0.2 1 1039 106 LEU CG C 31.3 0.2 1 1040 106 LEU CD1 C 25.6 0.2 1 1041 106 LEU CD2 C 23.3 0.2 1 1042 106 LEU N N 117.4 0.2 1 1043 107 GLY H H 8.33 0.02 1 1044 107 GLY HA2 H 3.65 0.02 2 1045 107 GLY HA3 H 4.17 0.02 2 1046 107 GLY C C 172.9 0.2 1 1047 107 GLY CA C 44.9 0.2 1 1048 107 GLY N N 106.1 0.2 1 1049 108 ASP H H 7.64 0.02 1 1050 108 ASP HA H 4.70 0.02 1 1051 108 ASP HB2 H 2.62 0.02 2 1052 108 ASP HB3 H 2.81 0.02 2 1053 108 ASP C C 176.5 0.2 1 1054 108 ASP CA C 53.2 0.2 1 1055 108 ASP CB C 41.9 0.2 1 1056 108 ASP N N 119.0 0.2 1 1057 109 GLU H H 8.99 0.02 1 1058 109 GLU HA H 3.96 0.02 1 1059 109 GLU HB2 H 2.10 0.02 1 1060 109 GLU HB3 H 2.10 0.02 1 1061 109 GLU HG2 H 2.28 0.02 1 1062 109 GLU HG3 H 2.28 0.02 1 1063 109 GLU C C 178.6 0.2 1 1064 109 GLU CA C 58.9 0.2 1 1065 109 GLU CB C 29.4 0.2 1 1066 109 GLU CG C 36.2 0.2 1 1067 109 GLU N N 123.9 0.2 1 1068 110 GLU H H 8.91 0.02 1 1069 110 GLU HA H 4.06 0.02 1 1070 110 GLU HB2 H 2.04 0.02 1 1071 110 GLU HB3 H 2.04 0.02 1 1072 110 GLU HG2 H 2.30 0.02 1 1073 110 GLU HG3 H 2.30 0.02 1 1074 110 GLU C C 179.6 0.2 1 1075 110 GLU CA C 59.1 0.2 1 1076 110 GLU CB C 28.8 0.2 1 1077 110 GLU CG C 36.6 0.2 1 1078 110 GLU N N 121.1 0.2 1 1079 111 LEU H H 8.21 0.02 1 1080 111 LEU HA H 4.03 0.02 1 1081 111 LEU HB2 H 1.85 0.02 1 1082 111 LEU HB3 H 1.85 0.02 1 1083 111 LEU HG H 1.80 0.02 1 1084 111 LEU HD1 H 0.86 0.02 1 1085 111 LEU HD2 H 0.75 0.02 1 1086 111 LEU C C 181.5 0.2 1 1087 111 LEU CA C 57.1 0.2 1 1088 111 LEU CB C 42.5 0.2 1 1089 111 LEU CG C 27.3 0.2 1 1090 111 LEU CD1 C 26.1 0.2 1 1091 111 LEU CD2 C 22.4 0.2 1 1092 111 LEU N N 119.3 0.2 1 1093 112 LEU H H 8.07 0.02 1 1094 112 LEU HA H 4.00 0.02 1 1095 112 LEU HB2 H 2.14 0.02 1 1096 112 LEU HB3 H 2.14 0.02 1 1097 112 LEU HG H 1.66 0.02 1 1098 112 LEU HD1 H 0.96 0.02 1 1099 112 LEU HD2 H 0.78 0.02 1 1100 112 LEU C C 177.0 0.2 1 1101 112 LEU CA C 57.3 0.2 1 1102 112 LEU CB C 41.4 0.2 1 1103 112 LEU CG C 27.6 0.2 1 1104 112 LEU CD1 C 25.9 0.2 1 1105 112 LEU CD2 C 23.4 0.2 1 1106 112 LEU N N 117.8 0.2 1 1107 113 GLU H H 7.40 0.02 1 1108 113 GLU HA H 4.60 0.02 1 1109 113 GLU HB2 H 1.83 0.02 2 1110 113 GLU HB3 H 2.49 0.02 2 1111 113 GLU HG2 H 2.19 0.02 2 1112 113 GLU HG3 H 2.40 0.02 2 1113 113 GLU C C 175.7 0.2 1 1114 113 GLU CA C 55.5 0.2 1 1115 113 GLU CB C 29.2 0.2 1 1116 113 GLU CG C 35.2 0.2 1 1117 113 GLU N N 115.2 0.2 1 1118 114 ARG H H 6.59 0.02 1 1119 114 ARG HA H 4.10 0.02 1 1120 114 ARG HB2 H 1.65 0.02 2 1121 114 ARG HB3 H 1.75 0.02 2 1122 114 ARG HG2 H 1.55 0.02 1 1123 114 ARG HG3 H 1.55 0.02 1 1124 114 ARG HD2 H 2.89 0.02 2 1125 114 ARG HD3 H 3.36 0.02 2 1126 114 ARG HE H 8.27 0.02 1 1127 114 ARG C C 176.1 0.2 1 1128 114 ARG CA C 56.7 0.2 1 1129 114 ARG CB C 32.4 0.2 1 1130 114 ARG CG C 27.3 0.2 1 1131 114 ARG CD C 43.1 0.2 1 1132 114 ARG N N 117.3 0.2 1 1133 114 ARG NE N 84.1 0.2 1 1134 115 GLU H H 8.59 0.02 1 1135 115 GLU HA H 4.13 0.02 1 1136 115 GLU HB2 H 2.01 0.02 2 1137 115 GLU HB3 H 2.15 0.02 2 1138 115 GLU HG2 H 2.15 0.02 1 1139 115 GLU HG3 H 2.15 0.02 1 1140 115 GLU C C 175.9 0.2 1 1141 115 GLU CA C 55.6 0.2 1 1142 115 GLU CB C 29.9 0.2 1 1143 115 GLU CG C 36.1 0.2 1 1144 115 GLU N N 121.5 0.2 1 1145 116 LEU H H 8.89 0.02 1 1146 116 LEU HA H 3.86 0.02 1 1147 116 LEU HB2 H 1.42 0.02 2 1148 116 LEU HB3 H 1.87 0.02 2 1149 116 LEU HG H 1.61 0.02 1 1150 116 LEU HD1 H 0.75 0.02 1 1151 116 LEU HD2 H 0.44 0.02 1 1152 116 LEU C C 178.3 0.2 1 1153 116 LEU CA C 58.2 0.2 1 1154 116 LEU CB C 41.2 0.2 1 1155 116 LEU CG C 27.6 0.2 1 1156 116 LEU CD1 C 22.3 0.2 1 1157 116 LEU CD2 C 26.8 0.2 1 1158 116 LEU N N 121.5 0.2 1 1159 117 ALA H H 8.55 0.02 1 1160 117 ALA HA H 4.15 0.02 1 1161 117 ALA HB H 1.37 0.02 1 1162 117 ALA C C 177.6 0.2 1 1163 117 ALA CA C 54.1 0.2 1 1164 117 ALA CB C 18.8 0.2 1 1165 117 ALA N N 117.6 0.2 1 1166 118 LEU H H 7.91 0.02 1 1167 118 LEU HA H 4.43 0.02 1 1168 118 LEU HB2 H 1.70 0.02 1 1169 118 LEU HB3 H 1.70 0.02 1 1170 118 LEU HG H 1.55 0.02 1 1171 118 LEU HD1 H 0.93 0.02 1 1172 118 LEU HD2 H 0.80 0.02 1 1173 118 LEU C C 176.7 0.2 1 1174 118 LEU CA C 53.9 0.2 1 1175 118 LEU CB C 42.6 0.2 1 1176 118 LEU CG C 27.7 0.2 1 1177 118 LEU CD1 C 25.6 0.2 1 1178 118 LEU CD2 C 22.8 0.2 1 1179 118 LEU N N 116.4 0.2 1 1180 119 LEU H H 7.63 0.02 1 1181 119 LEU HA H 4.41 0.02 1 1182 119 LEU HB2 H 1.32 0.02 2 1183 119 LEU HB3 H 1.92 0.02 2 1184 119 LEU HG H 1.85 0.02 1 1185 119 LEU HD1 H 0.59 0.02 1 1186 119 LEU HD2 H 0.46 0.02 1 1187 119 LEU C C 177.2 0.2 1 1188 119 LEU CA C 55.5 0.2 1 1189 119 LEU CB C 40.3 0.2 1 1190 119 LEU CG C 27.2 0.2 1 1191 119 LEU CD1 C 25.0 0.2 1 1192 119 LEU CD2 C 21.7 0.2 1 1193 119 LEU N N 120.3 0.2 1 1194 120 VAL H H 10.11 0.02 1 1195 120 VAL HA H 4.18 0.02 1 1196 120 VAL HB H 1.88 0.02 1 1197 120 VAL HG1 H 0.89 0.02 1 1198 120 VAL HG2 H 0.85 0.02 1 1199 120 VAL C C 173.8 0.2 1 1200 120 VAL CA C 61.6 0.2 1 1201 120 VAL CB C 35.2 0.2 1 1202 120 VAL CG1 C 21.5 0.2 1 1203 120 VAL CG2 C 21.2 0.2 1 1204 120 VAL N N 124.3 0.2 1 1205 121 SER H H 8.05 0.02 1 1206 121 SER HA H 4.42 0.02 1 1207 121 SER HB2 H 3.62 0.02 2 1208 121 SER HB3 H 3.78 0.02 2 1209 121 SER C C 175.8 0.2 1 1210 121 SER CA C 56.9 0.2 1 1211 121 SER CB C 65.0 0.2 1 1212 121 SER N N 116.1 0.2 1 1213 122 ALA H H 10.94 0.02 1 1214 122 ALA HA H 4.05 0.02 1 1215 122 ALA HB H 1.11 0.02 1 1216 122 ALA C C 178.2 0.2 1 1217 122 ALA CA C 53.3 0.2 1 1218 122 ALA CB C 18.5 0.2 1 1219 122 ALA N N 128.4 0.2 1 1220 123 HIS H H 7.95 0.02 1 1221 123 HIS HA H 4.55 0.02 1 1222 123 HIS HB2 H 2.93 0.02 1 1223 123 HIS HB3 H 3.08 0.02 1 1224 123 HIS HD2 H 6.89 0.02 1 1225 123 HIS CA C 56.0 0.2 1 1226 123 HIS CB C 31.0 0.2 1 1227 123 HIS CD2 C 119.7 0.2 1 1228 123 HIS N N 116.5 0.2 1 1229 124 ASP HA H 4.54 0.02 1 1230 124 ASP HB2 H 2.57 0.02 2 1231 124 ASP HB3 H 2.72 0.02 2 1232 124 ASP CA C 54.3 0.2 1 1233 124 ASP CB C 41.3 0.2 1 stop_ save_ ######################## # Coupling constants # ######################## save_coupling_constants_set_1 _Saveframe_category coupling_constants loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Spectrometer_frequency_1H 600 loop_ _Coupling_constant_code _Atom_one_residue_seq_code _Atom_one_residue_label _Atom_one_name _Atom_two_residue_seq_code _Atom_two_residue_label _Atom_two_name _Coupling_constant_value _Coupling_constant_min_value _Coupling_constant_max_value _Coupling_constant_value_error 3JHNHA 16 PHE H 16 PHE HA 10.5 ? ? 1.5 3JHNHA 18 ALA H 18 ALA HA 6.9 ? ? 1.5 3JHNHA 19 ASP H 19 ASP HA 8.2 ? ? 1.5 3JHNHA 20 SER H 20 SER HA 8.2 ? ? 1.5 3JHNHA 21 GLU H 21 GLU HA 8.0 ? ? 1.5 3JHNHA 22 ILE H 22 ILE HA 9.1 ? ? 1.5 3JHNHA 23 LEU H 23 LEU HA 9.2 ? ? 1.5 3JHNHA 24 GLN H 24 GLN HA 6.8 ? ? 1.5 3JHNHA 27 ARG H 27 ARG HA 8.2 ? ? 1.5 3JHNHA 28 ARG H 28 ARG HA 8.6 ? ? 1.5 3JHNHA 29 TRP H 29 TRP HA 9.8 ? ? 1.5 3JHNHA 30 GLU H 30 GLU HA 6.9 ? ? 1.5 3JHNHA 31 VAL H 31 VAL HA 9.8 ? ? 1.5 3JHNHA 32 LEU H 32 LEU HA 7.7 ? ? 1.5 3JHNHA 33 LEU H 33 LEU HA 5.5 ? ? 1.5 3JHNHA 34 HIS H 34 HIS HA 10.5 ? ? 1.5 3JHNHA 35 ASP H 35 ASP HA 5.7 ? ? 1.5 3JHNHA 38 LEU H 38 LEU HA 6.0 ? ? 1.5 3JHNHA 39 HIS H 39 HIS HA 10.1 ? ? 1.5 3JHNHA 41 ILE H 41 ILE HA 6.7 ? ? 1.5 3JHNHA 42 LEU H 42 LEU HA 9.3 ? ? 1.5 3JHNHA 45 GLN H 45 GLN HA 4.0 ? ? 1.5 3JHNHA 52 ASP H 52 ASP HA 7.6 ? ? 1.5 3JHNHA 54 GLN H 54 GLN HA 8.7 ? ? 1.5 3JHNHA 55 ARG H 55 ARG HA 8.6 ? ? 1.5 3JHNHA 57 PHE H 57 PHE HA 9.7 ? ? 1.5 3JHNHA 58 GLU H 58 GLU HA 8.8 ? ? 1.5 3JHNHA 59 ALA H 59 ALA HA 9.1 ? ? 1.5 3JHNHA 60 ARG H 60 ARG HA 8.0 ? ? 1.5 3JHNHA 63 LEU H 63 LEU HA 8.8 ? ? 1.5 3JHNHA 66 ASP H 66 ASP HA 8.7 ? ? 1.5 3JHNHA 67 VAL H 67 VAL HA 7.8 ? ? 1.5 3JHNHA 68 LEU H 68 LEU HA 8.4 ? ? 1.5 3JHNHA 69 ILE H 69 ILE HA 9.4 ? ? 1.5 3JHNHA 70 ARG H 70 ARG HA 9.5 ? ? 1.5 3JHNHA 71 MET H 71 MET HA 7.7 ? ? 1.5 3JHNHA 72 GLU H 72 GLU HA 8.4 ? ? 1.5 3JHNHA 79 ARG H 79 ARG HA 6.8 ? ? 1.5 3JHNHA 82 LEU H 82 LEU HA 8.4 ? ? 1.5 3JHNHA 83 LEU H 83 LEU HA 9.0 ? ? 1.5 3JHNHA 85 PHE H 85 PHE HA 8.4 ? ? 1.5 3JHNHA 87 CYS H 87 CYS HA 5.7 ? ? 1.5 3JHNHA 88 GLN H 88 GLN HA 11.5 ? ? 1.5 3JHNHA 89 HIS H 89 HIS HA 6.2 ? ? 1.5 3JHNHA 90 ILE H 90 ILE HA 7.1 ? ? 1.5 3JHNHA 91 ASP H 91 ASP HA 4.6 ? ? 1.5 3JHNHA 93 ASP H 93 ASP HA 4.9 ? ? 1.5 3JHNHA 94 SER H 94 SER HA 3.8 ? ? 1.5 3JHNHA 95 ILE H 95 ILE HA 4.0 ? ? 1.5 3JHNHA 96 SER H 96 SER HA 3.5 ? ? 1.5 3JHNHA 97 HIS H 97 HIS HA 3.5 ? ? 1.5 3JHNHA 100 ARG H 100 ARG HA 3.3 ? ? 1.5 3JHNHA 101 LEU H 101 LEU HA 4.2 ? ? 1.5 3JHNHA 103 GLU H 103 GLU HA 4.4 ? ? 1.5 3JHNHA 105 ASN H 105 ASN HA 8.0 ? ? 1.5 3JHNHA 106 LEU H 106 LEU HA 8.0 ? ? 1.5 3JHNHA 109 GLU H 109 GLU HA 4.2 ? ? 1.5 3JHNHA 111 LEU H 111 LEU HA 3.4 ? ? 1.5 3JHNHA 112 LEU H 112 LEU HA 6.4 ? ? 1.5 3JHNHA 113 GLU H 113 GLU HA 8.1 ? ? 1.5 3JHNHA 114 ARG H 114 ARG HA 3.8 ? ? 1.5 3JHNHA 115 GLU H 115 GLU HA 5.3 ? ? 1.5 3JHNHA 117 ALA H 117 ALA HA 2.6 ? ? 1.5 3JHNHA 118 LEU H 118 LEU HA 9.6 ? ? 1.5 3JHNHA 119 LEU H 119 LEU HA 5.8 ? ? 1.5 3JHNHA 121 SER H 121 SER HA 5.8 ? ? 1.5 stop_ save_