data_6980 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical Shift Assignment of human allograft inflammatory factor I ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Song Jikui . . 2 Tyler Robert C. . 3 "Loushin Newman" Carrie . . 4 Vinarov Dmitriy . . 5 Markley John L. . stop_ _BMRB_accession_number 6980 _BMRB_flat_file_name bmr6980.str _Entry_type new _Submission_date 2006-02-13 _Accession_date 2006-02-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 724 "13C chemical shifts" 591 "15N chemical shifts" 144 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Solution Structure of Human Allograft Inflammatory Factor I ; _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 Song Jikui . . 2 Tyler Robert C. . 3 "Loushin Newman" Carrie . . 4 Vinarov Dmitriy . . 5 Markley John L. . 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 BC009474 _Abbreviation_common BC009474 loop_ _Mol_system_component_name _Mol_label BC009474 $BC009474 "CALCIUM (II) ION" $CA_2+ stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state "not present" loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component diamagnetic "CALCIUM (II) ION" stop_ save_ ######################## # Monomeric polymers # ######################## save_BC009474 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "Allograft inflammatory factor 1" _Mol_thiol_state "not present" ############################## # Polymer residue sequence # ############################## _Residue_count 150 _Mol_residue_sequence ; GPLESQTRDLQGGKAFGLLK AQQEERLDEINKQFLDDPKY SSDEDLPSKLEGFKEKYMEF DLNGNGDIDIMSLKRMLEKL GVPKTHLELKKLIGEVSSGS GETFSYPDFLRMMLGKRSAI LKMILMYEEKAREKEKPTGP PAKKAISELP ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 LEU 4 GLU 5 SER 6 GLN 7 THR 8 ARG 9 ASP 10 LEU 11 GLN 12 GLY 13 GLY 14 LYS 15 ALA 16 PHE 17 GLY 18 LEU 19 LEU 20 LYS 21 ALA 22 GLN 23 GLN 24 GLU 25 GLU 26 ARG 27 LEU 28 ASP 29 GLU 30 ILE 31 ASN 32 LYS 33 GLN 34 PHE 35 LEU 36 ASP 37 ASP 38 PRO 39 LYS 40 TYR 41 SER 42 SER 43 ASP 44 GLU 45 ASP 46 LEU 47 PRO 48 SER 49 LYS 50 LEU 51 GLU 52 GLY 53 PHE 54 LYS 55 GLU 56 LYS 57 TYR 58 MET 59 GLU 60 PHE 61 ASP 62 LEU 63 ASN 64 GLY 65 ASN 66 GLY 67 ASP 68 ILE 69 ASP 70 ILE 71 MET 72 SER 73 LEU 74 LYS 75 ARG 76 MET 77 LEU 78 GLU 79 LYS 80 LEU 81 GLY 82 VAL 83 PRO 84 LYS 85 THR 86 HIS 87 LEU 88 GLU 89 LEU 90 LYS 91 LYS 92 LEU 93 ILE 94 GLY 95 GLU 96 VAL 97 SER 98 SER 99 GLY 100 SER 101 GLY 102 GLU 103 THR 104 PHE 105 SER 106 TYR 107 PRO 108 ASP 109 PHE 110 LEU 111 ARG 112 MET 113 MET 114 LEU 115 GLY 116 LYS 117 ARG 118 SER 119 ALA 120 ILE 121 LEU 122 LYS 123 MET 124 ILE 125 LEU 126 MET 127 TYR 128 GLU 129 GLU 130 LYS 131 ALA 132 ARG 133 GLU 134 LYS 135 GLU 136 LYS 137 PRO 138 THR 139 GLY 140 PRO 141 PRO 142 ALA 143 LYS 144 LYS 145 ALA 146 ILE 147 SER 148 GLU 149 LEU 150 PRO stop_ save_ ############# # Ligands # ############# save_CA_2+ _Saveframe_category ligand _Mol_type non-polymer _Name_common "CALCIUM (II) ION" _Abbreviation_common "CALCIUM (II) ION" _PDB_code CA _Mol_empirical_formula CA1 _Mol_charge 2+ _Mol_paramagnetic no _Mol_aromatic no _Details . loop_ _Atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA ? 2+ ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $BC009474 Human 9606 Eukaryota Metazoa Homo sapiens 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 $BC009474 "cell free synthesis" ? ? ? ? ? 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 $BC009474 0.5 mM ? MOPS 10 mM ? NaCl 100 mM ? stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600III _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 save_ save_500II _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 save_ save_750 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.1 pH temperature 298 0.1 K pressure 1 0.1 atm "ionic strength" 100 10 mM 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 (geminal atoms and geminal methyl # # groups with identical chemical shifts # # are assumed to be assigned to # # stereospecific atoms) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 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) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name BC009474 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 2 PRO HA H 4.436 0.05 1 2 2 PRO HB2 H 1.938 0.05 2 3 2 PRO HB3 H 2.313 0.05 2 4 2 PRO HG3 H 1.973 0.05 2 5 2 PRO HD2 H 3.572 0.05 2 6 2 PRO C C 177.136 0.15 1 7 2 PRO CA C 63.271 0.15 1 8 2 PRO CB C 32.344 0.15 1 9 2 PRO CG C 27.048 0.15 1 10 2 PRO CD C 48.194 0.15 1 11 3 LEU H H 8.511 0.05 1 12 3 LEU HA H 4.287 0.05 1 13 3 LEU HB3 H 1.615 0.05 2 14 3 LEU HD2 H 0.915 0.05 2 15 3 LEU C C 177.857 0.15 1 16 3 LEU CA C 55.697 0.15 1 17 3 LEU CB C 42.088 0.15 1 18 3 LEU CG C 23.467 0.15 1 19 3 LEU N N 121.565 0.15 1 20 4 GLU H H 8.353 0.05 1 21 4 GLU HA H 4.258 0.05 1 22 4 GLU HB3 H 2.026 0.05 2 23 4 GLU HG3 H 2.253 0.05 2 24 4 GLU C C 176.826 0.15 1 25 4 GLU CA C 57.159 0.15 1 26 4 GLU CB C 30.032 0.15 1 27 4 GLU CG C 36.424 0.15 1 28 4 GLU N N 121.397 0.15 1 29 5 SER H H 8.265 0.05 1 30 5 SER HA H 4.392 0.05 1 31 5 SER HB2 H 3.866 0.05 2 32 5 SER C C 174.768 0.15 1 33 5 SER CA C 58.742 0.15 1 34 5 SER CB C 63.592 0.15 1 35 5 SER N N 116.061 0.15 1 36 6 GLN H H 8.357 0.05 1 37 6 GLN HA H 4.395 0.05 1 38 6 GLN HB3 H 2.077 0.05 2 39 6 GLN C C 176.335 0.15 1 40 6 GLN CA C 56.154 0.15 1 41 6 GLN CB C 29.467 0.15 1 42 6 GLN N N 121.968 0.15 1 43 7 THR H H 8.137 0.05 1 44 7 THR HG2 H 1.196 0.05 1 45 7 THR C C 174.695 0.15 1 46 7 THR CA C 62.269 0.15 1 47 7 THR CB C 69.581 0.15 1 48 7 THR CG2 C 21.680 0.15 1 49 7 THR N N 114.993 0.15 1 50 8 ARG H H 8.282 0.05 1 51 8 ARG HA H 4.282 0.05 1 52 8 ARG HB3 H 1.789 0.05 2 53 8 ARG HG2 H 1.609 0.05 2 54 8 ARG HD3 H 3.184 0.05 2 55 8 ARG C C 176.002 0.15 1 56 8 ARG CA C 56.457 0.15 1 57 8 ARG CB C 30.827 0.15 1 58 8 ARG CG C 27.082 0.15 1 59 8 ARG N N 123.136 0.15 1 60 9 ASP H H 8.329 0.05 1 61 9 ASP HA H 4.565 0.05 1 62 9 ASP HB3 H 2.626 0.05 2 63 9 ASP C C 176.481 0.15 1 64 9 ASP CA C 54.432 0.15 1 65 9 ASP CB C 41.004 0.15 1 66 9 ASP N N 121.071 0.15 1 67 10 LEU H H 8.211 0.05 1 68 10 LEU HA H 4.272 0.05 1 69 10 LEU HB3 H 1.635 0.05 2 70 10 LEU HG H 1.627 0.05 1 71 10 LEU HD2 H 0.872 0.05 2 72 10 LEU C C 177.851 0.15 1 73 10 LEU CA C 55.588 0.15 1 74 10 LEU CB C 42.057 0.15 1 75 10 LEU CG C 27.059 0.15 1 76 10 LEU CD1 C 23.136 0.15 2 77 10 LEU CD2 C 24.999 0.15 2 78 10 LEU N N 122.733 0.15 1 79 11 GLN H H 8.371 0.05 1 80 11 GLN HA H 4.256 0.05 1 81 11 GLN HB3 H 2.059 0.05 2 82 11 GLN HG3 H 2.343 0.05 2 83 11 GLN C C 176.779 0.15 1 84 11 GLN CA C 56.161 0.15 1 85 11 GLN CB C 29.106 0.15 1 86 11 GLN CG C 33.888 0.15 1 87 11 GLN N N 119.854 0.15 1 88 12 GLY H H 8.345 0.05 1 89 12 GLY HA2 H 3.936 0.05 2 90 12 GLY C C 174.923 0.15 1 91 12 GLY CA C 45.641 0.15 1 92 12 GLY N N 109.387 0.15 1 93 13 GLY H H 8.284 0.05 1 94 13 GLY HA2 H 3.955 0.05 2 95 13 GLY C C 174.499 0.15 1 96 13 GLY CA C 45.506 0.15 1 97 13 GLY N N 108.657 0.15 1 98 14 LYS H H 8.137 0.05 1 99 14 LYS HA H 4.253 0.05 1 100 14 LYS HB2 H 1.754 0.05 2 101 14 LYS HG3 H 1.445 0.05 2 102 14 LYS HD2 H 1.680 0.05 2 103 14 LYS C C 176.627 0.15 1 104 14 LYS CA C 56.570 0.15 1 105 14 LYS CB C 32.988 0.15 1 106 14 LYS CG C 24.862 0.15 1 107 14 LYS CD C 29.107 0.15 1 108 14 LYS CE C 42.135 0.15 1 109 14 LYS N N 120.776 0.15 1 110 15 ALA H H 8.264 0.05 1 111 15 ALA HA H 4.241 0.05 1 112 15 ALA HB H 1.313 0.05 1 113 15 ALA C C 177.790 0.15 1 114 15 ALA CA C 52.876 0.15 1 115 15 ALA CB C 18.958 0.15 1 116 15 ALA N N 124.074 0.15 1 117 16 PHE H H 8.166 0.05 1 118 16 PHE HA H 4.500 0.05 1 119 16 PHE HB3 H 3.102 0.05 2 120 16 PHE C C 176.689 0.15 1 121 16 PHE CA C 58.668 0.15 1 122 16 PHE CB C 39.552 0.15 1 123 16 PHE N N 119.524 0.15 1 124 17 GLY H H 8.309 0.05 1 125 17 GLY HA2 H 3.871 0.05 2 126 17 GLY C C 174.826 0.15 1 127 17 GLY CA C 45.856 0.15 1 128 17 GLY N N 109.156 0.15 1 129 18 LEU H H 7.980 0.05 1 130 18 LEU HA H 4.251 0.05 1 131 18 LEU HB2 H 1.638 0.05 2 132 18 LEU HD2 H 0.898 0.05 2 133 18 LEU C C 178.166 0.15 1 134 18 LEU CA C 56.448 0.15 1 135 18 LEU CB C 42.131 0.15 1 136 18 LEU CG C 27.031 0.15 1 137 18 LEU CD1 C 23.565 0.15 2 138 18 LEU CD2 C 24.793 0.15 2 139 18 LEU N N 122.078 0.15 1 140 19 LEU H H 8.067 0.05 1 141 19 LEU HB3 H 1.634 0.05 2 142 19 LEU HD1 H 0.908 0.05 2 143 19 LEU HD2 H 0.889 0.05 2 144 19 LEU C C 178.757 0.15 1 145 19 LEU CA C 57.061 0.15 1 146 19 LEU CB C 41.875 0.15 1 147 19 LEU CG C 27.185 0.15 1 148 19 LEU CD1 C 24.609 0.15 2 149 19 LEU CD2 C 23.811 0.15 2 150 19 LEU N N 121.229 0.15 1 151 20 LYS H H 8.161 0.05 1 152 20 LYS HA H 4.048 0.05 1 153 20 LYS HB2 H 1.760 0.05 2 154 20 LYS HD2 H 1.530 0.05 2 155 20 LYS HE2 H 2.992 0.05 2 156 20 LYS C C 178.139 0.15 1 157 20 LYS CA C 58.916 0.15 1 158 20 LYS CB C 32.406 0.15 1 159 20 LYS CG C 25.114 0.15 1 160 20 LYS CD C 29.257 0.15 1 161 20 LYS CE C 42.287 0.15 1 162 20 LYS N N 121.210 0.15 1 163 21 ALA H H 8.099 0.05 1 164 21 ALA HA H 4.236 0.05 1 165 21 ALA HB H 1.469 0.05 1 166 21 ALA C C 180.352 0.15 1 167 21 ALA CA C 54.803 0.15 1 168 21 ALA CB C 18.327 0.15 1 169 21 ALA N N 121.195 0.15 1 170 22 GLN H H 7.964 0.05 1 171 22 GLN HA H 4.153 0.05 1 172 22 GLN HB2 H 2.243 0.05 2 173 22 GLN HB3 H 2.111 0.05 2 174 22 GLN HG2 H 2.518 0.05 2 175 22 GLN HG3 H 2.402 0.05 2 176 22 GLN HE21 H 6.781 0.05 2 177 22 GLN HE22 H 7.534 0.05 2 178 22 GLN C C 178.859 0.15 1 179 22 GLN CA C 58.456 0.15 1 180 22 GLN CB C 28.734 0.15 1 181 22 GLN CG C 34.403 0.15 1 182 22 GLN N N 117.827 0.15 1 183 22 GLN NE2 N 111.483 0.15 1 184 23 GLN H H 8.218 0.05 1 185 23 GLN HA H 4.066 0.05 1 186 23 GLN HB2 H 2.252 0.05 2 187 23 GLN HB3 H 2.001 0.05 2 188 23 GLN HG2 H 2.397 0.05 2 189 23 GLN HG3 H 2.375 0.05 2 190 23 GLN HE21 H 7.131 0.05 2 191 23 GLN HE22 H 6.779 0.05 2 192 23 GLN C C 178.470 0.15 1 193 23 GLN CA C 58.492 0.15 1 194 23 GLN CB C 28.128 0.15 1 195 23 GLN CG C 33.701 0.15 1 196 23 GLN N N 119.534 0.15 1 197 23 GLN NE2 N 110.242 0.15 1 198 24 GLU H H 8.383 0.05 1 199 24 GLU HA H 3.727 0.05 1 200 24 GLU HB3 H 2.073 0.05 2 201 24 GLU HG3 H 2.315 0.05 2 202 24 GLU C C 177.644 0.15 1 203 24 GLU CA C 60.532 0.15 1 204 24 GLU CB C 29.417 0.15 1 205 24 GLU CG C 37.089 0.15 1 206 24 GLU N N 119.575 0.15 1 207 25 GLU H H 7.873 0.05 1 208 25 GLU HA H 4.116 0.05 1 209 25 GLU HB3 H 2.127 0.05 2 210 25 GLU HG2 H 2.457 0.05 2 211 25 GLU HG3 H 2.356 0.05 2 212 25 GLU C C 179.287 0.15 1 213 25 GLU CA C 59.472 0.15 1 214 25 GLU CB C 29.603 0.15 1 215 25 GLU CG C 36.499 0.15 1 216 25 GLU N N 117.954 0.15 1 217 26 ARG H H 7.541 0.05 1 218 26 ARG HA H 4.182 0.05 1 219 26 ARG HB3 H 2.007 0.05 2 220 26 ARG HG2 H 1.713 0.05 2 221 26 ARG HG3 H 1.784 0.05 2 222 26 ARG HD2 H 3.310 0.05 2 223 26 ARG C C 179.131 0.15 1 224 26 ARG CA C 58.879 0.15 1 225 26 ARG CB C 29.985 0.15 1 226 26 ARG CG C 27.310 0.15 1 227 26 ARG CD C 43.375 0.15 1 228 26 ARG N N 118.958 0.15 1 229 27 LEU H H 7.747 0.05 1 230 27 LEU HA H 3.891 0.05 1 231 27 LEU HB2 H 1.701 0.05 2 232 27 LEU HB3 H 0.831 0.05 2 233 27 LEU HG H 1.757 0.05 1 234 27 LEU HD1 H 0.611 0.05 2 235 27 LEU HD2 H 0.164 0.05 2 236 27 LEU C C 179.152 0.15 1 237 27 LEU CA C 58.169 0.15 1 238 27 LEU CB C 39.210 0.15 1 239 27 LEU CG C 25.796 0.15 1 240 27 LEU CD1 C 26.592 0.15 2 241 27 LEU CD2 C 21.642 0.15 2 242 27 LEU N N 118.801 0.15 1 243 28 ASP H H 8.434 0.05 1 244 28 ASP HA H 4.413 0.05 1 245 28 ASP HB2 H 2.647 0.05 2 246 28 ASP HB3 H 2.910 0.05 2 247 28 ASP C C 179.473 0.15 1 248 28 ASP CA C 57.947 0.15 1 249 28 ASP CB C 40.114 0.15 1 250 28 ASP N N 119.759 0.15 1 251 29 GLU H H 7.864 0.05 1 252 29 GLU HA H 4.109 0.05 1 253 29 GLU HB3 H 2.246 0.05 2 254 29 GLU HG2 H 2.472 0.05 2 255 29 GLU HG3 H 2.339 0.05 2 256 29 GLU C C 179.520 0.15 1 257 29 GLU CA C 59.457 0.15 1 258 29 GLU CB C 29.491 0.15 1 259 29 GLU CG C 36.352 0.15 1 260 29 GLU N N 120.829 0.15 1 261 30 ILE H H 7.878 0.05 1 262 30 ILE HA H 3.976 0.05 1 263 30 ILE HB H 2.249 0.05 1 264 30 ILE HG12 H 1.933 0.05 2 265 30 ILE HG2 H 1.063 0.05 1 266 30 ILE HD1 H 1.049 0.05 1 267 30 ILE C C 178.610 0.15 1 268 30 ILE CA C 64.678 0.15 1 269 30 ILE CB C 37.317 0.15 1 270 30 ILE CG1 C 29.161 0.15 1 271 30 ILE CG2 C 19.301 0.15 1 272 30 ILE CD1 C 13.347 0.15 1 273 30 ILE N N 121.880 0.15 1 274 31 ASN H H 8.928 0.05 1 275 31 ASN HA H 4.535 0.05 1 276 31 ASN HB2 H 3.360 0.05 2 277 31 ASN HB3 H 2.701 0.05 2 278 31 ASN HD21 H 8.513 0.05 2 279 31 ASN C C 177.814 0.15 1 280 31 ASN CA C 55.928 0.15 1 281 31 ASN CB C 36.902 0.15 1 282 31 ASN N N 121.134 0.15 1 283 31 ASN ND2 N 105.370 0.15 1 284 32 LYS H H 7.888 0.05 1 285 32 LYS HA H 3.990 0.05 1 286 32 LYS HB2 H 2.019 0.05 2 287 32 LYS HG2 H 1.491 0.05 2 288 32 LYS HG3 H 1.667 0.05 2 289 32 LYS HE2 H 2.974 0.05 2 290 32 LYS C C 178.629 0.15 1 291 32 LYS CA C 59.792 0.15 1 292 32 LYS CB C 32.124 0.15 1 293 32 LYS CG C 25.544 0.15 1 294 32 LYS CD C 29.232 0.15 1 295 32 LYS CE C 42.314 0.15 1 296 32 LYS N N 118.484 0.15 1 297 33 GLN H H 7.737 0.05 1 298 33 GLN HA H 4.161 0.05 1 299 33 GLN HB2 H 2.274 0.05 2 300 33 GLN HB3 H 2.572 0.05 2 301 33 GLN HG2 H 2.688 0.05 2 302 33 GLN HG3 H 2.430 0.05 2 303 33 GLN HE21 H 7.468 0.05 2 304 33 GLN HE22 H 6.729 0.05 2 305 33 GLN C C 179.786 0.15 1 306 33 GLN CA C 58.843 0.15 1 307 33 GLN CB C 28.085 0.15 1 308 33 GLN CG C 33.941 0.15 1 309 33 GLN N N 118.413 0.15 1 310 33 GLN NE2 N 110.685 0.15 1 311 34 PHE H H 8.382 0.05 1 312 34 PHE HA H 4.130 0.05 1 313 34 PHE HB2 H 2.544 0.05 2 314 34 PHE HB3 H 3.317 0.05 2 315 34 PHE HD1 H 7.049 0.05 4 316 34 PHE HD2 H 7.049 0.05 4 317 34 PHE C C 177.700 0.15 1 318 34 PHE CA C 62.382 0.15 1 319 34 PHE CB C 39.915 0.15 1 320 34 PHE N N 120.821 0.15 1 321 35 LEU H H 8.138 0.05 1 322 35 LEU HA H 4.026 0.05 1 323 35 LEU HB2 H 1.594 0.05 2 324 35 LEU HB3 H 1.844 0.05 2 325 35 LEU HD2 H 0.842 0.05 2 326 35 LEU C C 177.627 0.15 1 327 35 LEU CA C 57.529 0.15 1 328 35 LEU CB C 41.934 0.15 1 329 35 LEU CG C 26.460 0.15 1 330 35 LEU CD1 C 25.078 0.15 2 331 35 LEU CD2 C 24.553 0.15 2 332 35 LEU N N 117.877 0.15 1 333 36 ASP H H 7.173 0.05 1 334 36 ASP HA H 4.792 0.05 1 335 36 ASP HB2 H 2.534 0.05 2 336 36 ASP HB3 H 2.827 0.05 2 337 36 ASP C C 175.896 0.15 1 338 36 ASP CA C 53.672 0.15 1 339 36 ASP CB C 41.909 0.15 1 340 36 ASP N N 115.016 0.15 1 341 37 ASP H H 7.481 0.05 1 342 37 ASP HA H 4.839 0.05 1 343 37 ASP HB2 H 3.406 0.05 2 344 37 ASP HB3 H 2.650 0.05 2 345 37 ASP CA C 51.644 0.15 1 346 37 ASP CB C 42.487 0.15 1 347 37 ASP N N 124.220 0.15 1 348 38 PRO HA H 4.551 0.05 1 349 38 PRO HB2 H 2.339 0.05 2 350 38 PRO HB3 H 1.962 0.05 2 351 38 PRO HD2 H 3.936 0.05 2 352 38 PRO HD3 H 4.125 0.05 2 353 38 PRO C C 178.364 0.15 1 354 38 PRO CA C 64.157 0.15 1 355 38 PRO CB C 32.214 0.15 1 356 38 PRO CG C 27.158 0.15 1 357 38 PRO CD C 51.454 0.15 1 358 39 LYS H H 8.683 0.05 1 359 39 LYS HA H 3.850 0.05 1 360 39 LYS HB2 H 0.974 0.05 2 361 39 LYS HB3 H 1.192 0.05 2 362 39 LYS HG2 H 0.913 0.05 2 363 39 LYS HG3 H 1.099 0.05 2 364 39 LYS HD2 H 1.483 0.05 2 365 39 LYS HE2 H 2.873 0.05 2 366 39 LYS HE3 H 2.885 0.05 2 367 39 LYS C C 177.547 0.15 1 368 39 LYS CA C 58.785 0.15 1 369 39 LYS CB C 31.932 0.15 1 370 39 LYS CG C 24.857 0.15 1 371 39 LYS CD C 28.946 0.15 1 372 39 LYS CE C 41.749 0.15 1 373 39 LYS N N 119.257 0.15 1 374 40 TYR H H 7.664 0.05 1 375 40 TYR HA H 4.966 0.05 1 376 40 TYR HB2 H 2.917 0.05 2 377 40 TYR HB3 H 3.556 0.05 2 378 40 TYR HD1 H 7.191 0.05 4 379 40 TYR HD2 H 7.191 0.05 4 380 40 TYR HE1 H 6.630 0.05 4 381 40 TYR HE2 H 6.630 0.05 4 382 40 TYR C C 177.372 0.15 1 383 40 TYR CA C 57.498 0.15 1 384 40 TYR CB C 40.382 0.15 1 385 40 TYR N N 115.114 0.15 1 386 41 SER H H 8.063 0.05 1 387 41 SER HB2 H 3.868 0.05 2 388 41 SER C C 175.135 0.15 1 389 41 SER CA C 61.013 0.15 1 390 41 SER CB C 63.494 0.15 1 391 41 SER N N 113.629 0.15 1 392 42 SER H H 8.245 0.05 1 393 42 SER HA H 4.433 0.05 1 394 42 SER HB2 H 4.023 0.05 2 395 42 SER HB3 H 3.931 0.05 2 396 42 SER C C 174.148 0.15 1 397 42 SER CA C 59.377 0.15 1 398 42 SER CB C 63.144 0.15 1 399 42 SER N N 116.127 0.15 1 400 43 ASP H H 7.643 0.05 1 401 43 ASP HA H 4.669 0.05 1 402 43 ASP HB2 H 3.062 0.05 2 403 43 ASP HB3 H 2.775 0.05 2 404 43 ASP C C 177.100 0.15 1 405 43 ASP CA C 53.714 0.15 1 406 43 ASP CB C 41.113 0.15 1 407 43 ASP N N 121.688 0.15 1 408 44 GLU H H 9.130 0.05 1 409 44 GLU HA H 4.134 0.05 1 410 44 GLU HB2 H 2.130 0.05 2 411 44 GLU HB3 H 2.059 0.05 2 412 44 GLU HG2 H 2.336 0.05 2 413 44 GLU C C 176.612 0.15 1 414 44 GLU CA C 58.338 0.15 1 415 44 GLU CB C 29.654 0.15 1 416 44 GLU CG C 36.250 0.15 1 417 44 GLU N N 128.109 0.15 1 418 45 ASP H H 8.508 0.05 1 419 45 ASP HA H 4.953 0.05 1 420 45 ASP HB2 H 2.525 0.05 2 421 45 ASP HB3 H 2.881 0.05 2 422 45 ASP C C 175.863 0.15 1 423 45 ASP CA C 53.501 0.15 1 424 45 ASP CB C 41.523 0.15 1 425 45 ASP N N 117.764 0.15 1 426 46 LEU H H 7.592 0.05 1 427 46 LEU HA H 4.011 0.05 1 428 46 LEU HB2 H 1.772 0.05 2 429 46 LEU HB3 H 2.034 0.05 2 430 46 LEU HD1 H 1.074 0.05 2 431 46 LEU HD2 H 1.007 0.05 2 432 46 LEU CA C 59.424 0.15 1 433 46 LEU CB C 39.819 0.15 1 434 46 LEU CD1 C 27.464 0.15 2 435 46 LEU CD2 C 24.128 0.15 2 436 46 LEU N N 121.180 0.15 1 437 47 PRO HA H 4.101 0.05 1 438 47 PRO HB2 H 2.015 0.05 2 439 47 PRO HB3 H 2.361 0.05 2 440 47 PRO HG2 H 2.210 0.05 2 441 47 PRO HD2 H 3.725 0.05 2 442 47 PRO C C 179.597 0.15 1 443 47 PRO CA C 67.456 0.15 1 444 47 PRO CB C 30.463 0.15 1 445 47 PRO CG C 28.704 0.15 1 446 48 SER H H 7.541 0.05 1 447 48 SER HA H 4.186 0.05 1 448 48 SER HB3 H 3.859 0.05 2 449 48 SER C C 177.861 0.15 1 450 48 SER CA C 61.083 0.15 1 451 48 SER CB C 62.511 0.15 1 452 48 SER N N 111.719 0.15 1 453 49 LYS H H 7.974 0.05 1 454 49 LYS HA H 3.608 0.05 1 455 49 LYS HB2 H 1.328 0.05 2 456 49 LYS HG2 H 1.129 0.05 2 457 49 LYS HG3 H 1.477 0.05 2 458 49 LYS HD2 H 1.754 0.05 2 459 49 LYS C C 178.638 0.15 1 460 49 LYS CA C 59.518 0.15 1 461 49 LYS CB C 32.516 0.15 1 462 49 LYS CG C 25.993 0.15 1 463 49 LYS CD C 29.779 0.15 1 464 49 LYS CE C 42.090 0.15 1 465 49 LYS N N 123.951 0.15 1 466 50 LEU H H 8.518 0.05 1 467 50 LEU HA H 3.872 0.05 1 468 50 LEU HB2 H 1.284 0.05 2 469 50 LEU HB3 H 1.847 0.05 2 470 50 LEU HG H 0.832 0.05 1 471 50 LEU HD1 H 0.734 0.05 2 472 50 LEU C C 179.377 0.15 1 473 50 LEU CA C 58.129 0.15 1 474 50 LEU CB C 40.198 0.15 1 475 50 LEU CG C 27.832 0.15 1 476 50 LEU CD1 C 23.355 0.15 2 477 50 LEU N N 116.861 0.15 1 478 51 GLU H H 7.522 0.05 1 479 51 GLU HA H 3.943 0.05 1 480 51 GLU HB3 H 2.068 0.05 2 481 51 GLU HG2 H 2.531 0.05 2 482 51 GLU HG3 H 2.346 0.05 2 483 51 GLU C C 179.028 0.15 1 484 51 GLU CA C 59.592 0.15 1 485 51 GLU CB C 29.193 0.15 1 486 51 GLU CG C 35.548 0.15 1 487 51 GLU N N 119.165 0.15 1 488 52 GLY H H 7.598 0.05 1 489 52 GLY HA2 H 3.826 0.05 2 490 52 GLY C C 177.520 0.15 1 491 52 GLY CA C 46.922 0.15 1 492 52 GLY N N 105.654 0.15 1 493 53 PHE H H 8.523 0.05 1 494 53 PHE HA H 4.931 0.05 1 495 53 PHE HB2 H 3.347 0.05 2 496 53 PHE HB3 H 3.194 0.05 2 497 53 PHE HD1 H 6.973 0.05 4 498 53 PHE HD2 H 6.973 0.05 4 499 53 PHE HE1 H 6.570 0.05 4 500 53 PHE HE2 H 6.570 0.05 4 501 53 PHE C C 177.755 0.15 1 502 53 PHE CA C 58.361 0.15 1 503 53 PHE CB C 37.331 0.15 1 504 53 PHE N N 122.382 0.15 1 505 54 LYS H H 8.484 0.05 1 506 54 LYS HA H 4.091 0.05 1 507 54 LYS HB2 H 2.089 0.05 2 508 54 LYS HG2 H 1.142 0.05 2 509 54 LYS HD2 H 1.664 0.05 2 510 54 LYS C C 177.599 0.15 1 511 54 LYS CA C 60.362 0.15 1 512 54 LYS CB C 32.214 0.15 1 513 54 LYS CG C 25.381 0.15 1 514 54 LYS CD C 29.470 0.15 1 515 54 LYS CE C 41.861 0.15 1 516 54 LYS N N 124.295 0.15 1 517 55 GLU H H 7.643 0.05 1 518 55 GLU HA H 3.938 0.05 1 519 55 GLU HB3 H 2.204 0.05 2 520 55 GLU HG3 H 2.532 0.05 2 521 55 GLU C C 179.397 0.15 1 522 55 GLU CA C 59.518 0.15 1 523 55 GLU CB C 29.455 0.15 1 524 55 GLU CG C 36.348 0.15 1 525 55 GLU N N 117.130 0.15 1 526 56 LYS H H 8.018 0.05 1 527 56 LYS HA H 4.246 0.05 1 528 56 LYS HB2 H 2.361 0.05 2 529 56 LYS HB3 H 2.312 0.05 2 530 56 LYS HG2 H 1.791 0.05 2 531 56 LYS HG3 H 1.894 0.05 2 532 56 LYS HE2 H 3.032 0.05 2 533 56 LYS C C 178.984 0.15 1 534 56 LYS CA C 58.088 0.15 1 535 56 LYS CB C 31.701 0.15 1 536 56 LYS CG C 24.620 0.15 1 537 56 LYS CD C 27.892 0.15 1 538 56 LYS CE C 41.379 0.15 1 539 56 LYS N N 117.807 0.15 1 540 57 TYR H H 8.740 0.05 1 541 57 TYR HA H 3.615 0.05 1 542 57 TYR HB3 H 2.893 0.05 2 543 57 TYR HD1 H 6.539 0.05 4 544 57 TYR HD2 H 6.539 0.05 4 545 57 TYR HE1 H 6.411 0.05 4 546 57 TYR HE2 H 6.411 0.05 4 547 57 TYR HH H 8.946 0.05 1 548 57 TYR C C 176.710 0.15 1 549 57 TYR CA C 62.237 0.15 1 550 57 TYR CB C 39.393 0.15 1 551 57 TYR N N 121.830 0.15 1 552 58 MET H H 7.814 0.05 1 553 58 MET HA H 4.172 0.05 1 554 58 MET HB2 H 2.255 0.05 2 555 58 MET HB3 H 2.300 0.05 2 556 58 MET HG2 H 2.872 0.05 2 557 58 MET HG3 H 2.292 0.05 2 558 58 MET HE H 2.057 0.05 1 559 58 MET C C 177.062 0.15 1 560 58 MET CA C 57.046 0.15 1 561 58 MET CB C 32.412 0.15 1 562 58 MET CG C 33.052 0.15 1 563 58 MET CE C 16.271 0.15 1 564 58 MET N N 110.404 0.15 1 565 59 GLU H H 7.599 0.05 1 566 59 GLU HA H 4.050 0.05 1 567 59 GLU HB3 H 1.903 0.05 2 568 59 GLU HG2 H 2.764 0.05 2 569 59 GLU HG3 H 2.175 0.05 2 570 59 GLU C C 178.343 0.15 1 571 59 GLU CA C 58.008 0.15 1 572 59 GLU CB C 30.238 0.15 1 573 59 GLU CG C 36.960 0.15 1 574 59 GLU N N 118.144 0.15 1 575 60 PHE H H 7.662 0.05 1 576 60 PHE HA H 4.179 0.05 1 577 60 PHE HB2 H 2.797 0.05 2 578 60 PHE HB3 H 2.488 0.05 2 579 60 PHE HD1 H 7.362 0.05 4 580 60 PHE HD2 H 7.362 0.05 4 581 60 PHE HE1 H 7.033 0.05 4 582 60 PHE HE2 H 7.033 0.05 4 583 60 PHE C C 175.322 0.15 1 584 60 PHE CA C 57.697 0.15 1 585 60 PHE CB C 39.865 0.15 1 586 60 PHE N N 118.369 0.15 1 587 61 ASP H H 8.422 0.05 1 588 61 ASP HA H 4.541 0.05 1 589 61 ASP HB2 H 2.662 0.05 2 590 61 ASP HB3 H 2.494 0.05 2 591 61 ASP C C 176.336 0.15 1 592 61 ASP CA C 54.350 0.15 1 593 61 ASP CB C 40.553 0.15 1 594 61 ASP N N 118.398 0.15 1 595 62 LEU H H 8.622 0.05 1 596 62 LEU HA H 4.431 0.05 1 597 62 LEU HB2 H 1.104 0.05 2 598 62 LEU HB3 H 1.706 0.05 2 599 62 LEU HG H 1.576 0.05 1 600 62 LEU HD1 H 0.741 0.05 2 601 62 LEU HD2 H 0.177 0.05 2 602 62 LEU C C 177.437 0.15 1 603 62 LEU CA C 53.972 0.15 1 604 62 LEU CB C 43.563 0.15 1 605 62 LEU CG C 27.244 0.15 1 606 62 LEU CD1 C 24.876 0.15 2 607 62 LEU CD2 C 23.454 0.15 2 608 62 LEU N N 126.599 0.15 1 609 63 ASN H H 8.635 0.05 1 610 63 ASN HA H 4.762 0.05 1 611 63 ASN HB2 H 2.957 0.05 2 612 63 ASN HB3 H 3.470 0.05 2 613 63 ASN HD21 H 7.929 0.05 2 614 63 ASN HD22 H 8.180 0.05 2 615 63 ASN C C 177.859 0.15 1 616 63 ASN CA C 50.738 0.15 1 617 63 ASN CB C 37.950 0.15 1 618 63 ASN N N 120.301 0.15 1 619 63 ASN ND2 N 111.628 0.15 1 620 64 GLY H H 8.668 0.05 1 621 64 GLY HA2 H 3.828 0.05 2 622 64 GLY HA3 H 3.954 0.05 2 623 64 GLY C C 174.664 0.15 1 624 64 GLY CA C 47.081 0.15 1 625 64 GLY N N 106.132 0.15 1 626 65 ASN H H 7.627 0.05 1 627 65 ASN HA H 4.881 0.05 1 628 65 ASN HB2 H 2.567 0.05 2 629 65 ASN HB3 H 2.885 0.05 2 630 65 ASN HD21 H 6.874 0.05 2 631 65 ASN HD22 H 8.078 0.05 2 632 65 ASN C C 175.175 0.15 1 633 65 ASN CA C 52.659 0.15 1 634 65 ASN CB C 39.852 0.15 1 635 65 ASN N N 116.181 0.15 1 636 65 ASN ND2 N 114.925 0.15 1 637 66 GLY H H 8.290 0.05 1 638 66 GLY HA2 H 3.533 0.05 2 639 66 GLY HA3 H 4.233 0.05 2 640 66 GLY C C 173.876 0.15 1 641 66 GLY CA C 45.564 0.15 1 642 66 GLY N N 107.690 0.15 1 643 67 ASP H H 7.785 0.05 1 644 67 ASP HA H 4.970 0.05 1 645 67 ASP HB2 H 2.459 0.05 2 646 67 ASP C C 174.553 0.15 1 647 67 ASP CA C 53.659 0.15 1 648 67 ASP CB C 42.579 0.15 1 649 67 ASP N N 122.044 0.15 1 650 68 ILE H H 8.335 0.05 1 651 68 ILE HA H 3.756 0.05 1 652 68 ILE HB H 0.062 0.05 1 653 68 ILE HG12 H 0.232 0.05 2 654 68 ILE HG13 H 0.430 0.05 2 655 68 ILE HG2 H 0.365 0.05 1 656 68 ILE HD1 H -0.739 0.05 1 657 68 ILE C C 174.368 0.15 1 658 68 ILE CA C 61.135 0.15 1 659 68 ILE CB C 37.393 0.15 1 660 68 ILE CG1 C 28.047 0.15 1 661 68 ILE CG2 C 17.613 0.15 1 662 68 ILE CD1 C 12.906 0.15 1 663 68 ILE N N 121.402 0.15 1 664 69 ASP H H 7.797 0.05 1 665 69 ASP HA H 5.148 0.05 1 666 69 ASP HB2 H 3.359 0.05 2 667 69 ASP HB3 H 2.468 0.05 2 668 69 ASP C C 176.372 0.15 1 669 69 ASP CA C 50.859 0.15 1 670 69 ASP CB C 43.353 0.15 1 671 69 ASP N N 124.669 0.15 1 672 70 ILE H H 7.938 0.05 1 673 70 ILE HA H 3.726 0.05 1 674 70 ILE HB H 1.833 0.05 1 675 70 ILE HG12 H 1.104 0.05 2 676 70 ILE HG13 H 1.758 0.05 2 677 70 ILE HG2 H 0.979 0.05 1 678 70 ILE HD1 H 0.795 0.05 1 679 70 ILE C C 176.663 0.15 1 680 70 ILE CA C 65.703 0.15 1 681 70 ILE CB C 38.313 0.15 1 682 70 ILE CG1 C 30.270 0.15 1 683 70 ILE CG2 C 16.915 0.15 1 684 70 ILE CD1 C 14.165 0.15 1 685 70 ILE N N 117.369 0.15 1 686 71 MET H H 7.711 0.05 1 687 71 MET HA H 4.379 0.05 1 688 71 MET HB2 H 2.208 0.05 2 689 71 MET HB3 H 2.074 0.05 2 690 71 MET HG2 H 2.756 0.05 2 691 71 MET HG3 H 2.643 0.05 2 692 71 MET HE H 2.123 0.05 1 693 71 MET C C 178.559 0.15 1 694 71 MET CA C 57.345 0.15 1 695 71 MET CB C 30.914 0.15 1 696 71 MET CG C 32.746 0.15 1 697 71 MET CE C 17.078 0.15 1 698 71 MET N N 119.093 0.15 1 699 72 SER H H 8.422 0.05 1 700 72 SER HA H 4.281 0.05 1 701 72 SER HB2 H 4.131 0.05 2 702 72 SER C C 178.974 0.15 1 703 72 SER CA C 60.796 0.15 1 704 72 SER CB C 62.718 0.15 1 705 72 SER N N 117.182 0.15 1 706 73 LEU H H 8.508 0.05 1 707 73 LEU HA H 4.294 0.05 1 708 73 LEU HB2 H 2.082 0.05 2 709 73 LEU HB3 H 1.506 0.05 2 710 73 LEU HG H 1.031 0.05 1 711 73 LEU HD1 H 1.172 0.05 2 712 73 LEU C C 177.532 0.15 1 713 73 LEU CA C 58.052 0.15 1 714 73 LEU CB C 42.012 0.15 1 715 73 LEU CG C 27.701 0.15 1 716 73 LEU CD1 C 24.621 0.15 2 717 73 LEU N N 120.936 0.15 1 718 74 LYS H H 8.698 0.05 1 719 74 LYS HA H 3.867 0.05 1 720 74 LYS HB2 H 2.024 0.05 2 721 74 LYS HB3 H 2.183 0.05 2 722 74 LYS HG2 H 1.309 0.05 2 723 74 LYS HG3 H 1.523 0.05 2 724 74 LYS HD2 H 1.689 0.05 2 725 74 LYS HE2 H 3.067 0.05 2 726 74 LYS C C 179.009 0.15 1 727 74 LYS CA C 59.940 0.15 1 728 74 LYS CB C 33.282 0.15 1 729 74 LYS CG C 25.049 0.15 1 730 74 LYS CD C 30.131 0.15 1 731 74 LYS CE C 42.222 0.15 1 732 74 LYS N N 119.672 0.15 1 733 75 ARG H H 8.027 0.05 1 734 75 ARG HA H 4.121 0.05 1 735 75 ARG HB2 H 1.968 0.05 2 736 75 ARG HB3 H 2.022 0.05 2 737 75 ARG HG2 H 1.680 0.05 2 738 75 ARG HD2 H 3.287 0.05 2 739 75 ARG C C 179.386 0.15 1 740 75 ARG CA C 59.355 0.15 1 741 75 ARG CB C 30.417 0.15 1 742 75 ARG CG C 28.154 0.15 1 743 75 ARG CD C 43.583 0.15 1 744 75 ARG N N 117.345 0.15 1 745 76 MET H H 8.020 0.05 1 746 76 MET HA H 4.149 0.05 1 747 76 MET HB2 H 2.035 0.05 2 748 76 MET HB3 H 2.137 0.05 2 749 76 MET HE H 1.290 0.05 1 750 76 MET C C 177.795 0.15 1 751 76 MET CA C 57.636 0.15 1 752 76 MET CB C 32.023 0.15 1 753 76 MET CG C 31.105 0.15 1 754 76 MET CE C 16.663 0.15 1 755 76 MET N N 120.282 0.15 1 756 77 LEU H H 8.540 0.05 1 757 77 LEU HA H 3.875 0.05 1 758 77 LEU HB2 H 1.819 0.05 2 759 77 LEU HB3 H 2.008 0.05 2 760 77 LEU HD1 H 0.749 0.05 2 761 77 LEU HD2 H 0.787 0.05 2 762 77 LEU C C 179.746 0.15 1 763 77 LEU CA C 58.455 0.15 1 764 77 LEU CB C 38.646 0.15 1 765 77 LEU CD1 C 23.028 0.15 2 766 77 LEU CD2 C 26.099 0.15 2 767 77 LEU N N 118.098 0.15 1 768 78 GLU H H 8.227 0.05 1 769 78 GLU HA H 3.837 0.05 1 770 78 GLU HB2 H 2.020 0.05 2 771 78 GLU HB3 H 2.233 0.05 2 772 78 GLU HG2 H 2.527 0.05 2 773 78 GLU HG3 H 2.246 0.05 2 774 78 GLU C C 180.679 0.15 1 775 78 GLU CA C 59.923 0.15 1 776 78 GLU CB C 29.247 0.15 1 777 78 GLU CG C 37.005 0.15 1 778 78 GLU N N 119.000 0.15 1 779 79 LYS H H 7.873 0.05 1 780 79 LYS HA H 4.031 0.05 1 781 79 LYS HB2 H 2.033 0.05 2 782 79 LYS HG2 H 1.411 0.05 2 783 79 LYS C C 178.668 0.15 1 784 79 LYS CA C 59.696 0.15 1 785 79 LYS CB C 31.867 0.15 1 786 79 LYS CG C 25.157 0.15 1 787 79 LYS CD C 29.614 0.15 1 788 79 LYS CE C 41.966 0.15 1 789 79 LYS N N 122.768 0.15 1 790 80 LEU H H 7.756 0.05 1 791 80 LEU HA H 4.226 0.05 1 792 80 LEU HB3 H 1.670 0.05 2 793 80 LEU HG H 1.842 0.05 1 794 80 LEU HD1 H 0.788 0.05 2 795 80 LEU HD2 H 0.746 0.05 2 796 80 LEU C C 176.910 0.15 1 797 80 LEU CA C 55.094 0.15 1 798 80 LEU CB C 42.432 0.15 1 799 80 LEU CG C 26.265 0.15 1 800 80 LEU CD1 C 22.144 0.15 2 801 80 LEU CD2 C 25.335 0.15 2 802 80 LEU N N 117.170 0.15 1 803 81 GLY H H 7.765 0.05 1 804 81 GLY HA2 H 3.804 0.05 2 805 81 GLY HA3 H 4.130 0.05 2 806 81 GLY C C 174.300 0.15 1 807 81 GLY CA C 45.698 0.15 1 808 81 GLY N N 107.236 0.15 1 809 82 VAL H H 8.143 0.05 1 810 82 VAL HA H 4.468 0.05 1 811 82 VAL HB H 2.034 0.05 1 812 82 VAL HG1 H 0.838 0.05 2 813 82 VAL HG2 H 0.824 0.05 2 814 82 VAL CA C 58.711 0.15 1 815 82 VAL CB C 32.386 0.15 1 816 82 VAL CG1 C 22.158 0.15 2 817 82 VAL CG2 C 20.025 0.15 2 818 82 VAL N N 118.928 0.15 1 819 83 PRO HA H 4.405 0.05 1 820 83 PRO HB2 H 1.904 0.05 2 821 83 PRO HD2 H 3.491 0.05 2 822 83 PRO HD3 H 3.605 0.05 2 823 83 PRO C C 177.542 0.15 1 824 83 PRO CA C 62.812 0.15 1 825 83 PRO CB C 32.370 0.15 1 826 83 PRO CG C 27.391 0.15 1 827 83 PRO CD C 50.455 0.15 1 828 84 LYS H H 7.988 0.05 1 829 84 LYS HA H 4.891 0.05 1 830 84 LYS HB2 H 1.834 0.05 2 831 84 LYS HB3 H 1.593 0.05 2 832 84 LYS HG2 H 1.168 0.05 2 833 84 LYS HD2 H 1.528 0.05 2 834 84 LYS HE2 H 2.638 0.05 2 835 84 LYS C C 176.350 0.15 1 836 84 LYS CA C 53.176 0.15 1 837 84 LYS CB C 36.968 0.15 1 838 84 LYS CG C 24.773 0.15 1 839 84 LYS CE C 42.391 0.15 1 840 84 LYS N N 120.935 0.15 1 841 85 THR H H 8.944 0.05 1 842 85 THR HA H 4.420 0.05 1 843 85 THR HB H 4.755 0.05 1 844 85 THR HG2 H 1.339 0.05 1 845 85 THR C C 175.081 0.15 1 846 85 THR CA C 61.013 0.15 1 847 85 THR CB C 71.072 0.15 1 848 85 THR CG2 C 21.799 0.15 1 849 85 THR N N 112.289 0.15 1 850 86 HIS H H 8.959 0.05 1 851 86 HIS HA H 4.164 0.05 1 852 86 HIS HB2 H 3.172 0.05 2 853 86 HIS HD2 H 6.918 0.05 1 854 86 HIS C C 177.258 0.15 1 855 86 HIS CA C 61.312 0.15 1 856 86 HIS CB C 30.821 0.15 1 857 86 HIS N N 120.817 0.15 1 858 87 LEU H H 8.155 0.05 1 859 87 LEU HA H 3.981 0.05 1 860 87 LEU HB2 H 1.709 0.05 2 861 87 LEU HB3 H 1.532 0.05 2 862 87 LEU HD1 H 1.006 0.05 2 863 87 LEU HD2 H 0.954 0.05 2 864 87 LEU C C 180.121 0.15 1 865 87 LEU CA C 58.240 0.15 1 866 87 LEU CB C 41.908 0.15 1 867 87 LEU CD1 C 24.061 0.15 2 868 87 LEU CD2 C 23.812 0.15 2 869 87 LEU N N 116.901 0.15 1 870 88 GLU H H 7.586 0.05 1 871 88 GLU HA H 3.922 0.05 1 872 88 GLU HB2 H 1.838 0.05 2 873 88 GLU HB3 H 2.376 0.05 2 874 88 GLU HG2 H 2.387 0.05 2 875 88 GLU HG3 H 2.205 0.05 2 876 88 GLU C C 179.692 0.15 1 877 88 GLU CA C 59.289 0.15 1 878 88 GLU CB C 30.748 0.15 1 879 88 GLU CG C 37.435 0.15 1 880 88 GLU N N 119.067 0.15 1 881 89 LEU H H 8.687 0.05 1 882 89 LEU HA H 3.878 0.05 1 883 89 LEU HB2 H 1.287 0.05 2 884 89 LEU HB3 H 2.136 0.05 2 885 89 LEU HD1 H 0.798 0.05 2 886 89 LEU HD2 H 0.836 0.05 2 887 89 LEU C C 178.496 0.15 1 888 89 LEU CA C 58.416 0.15 1 889 89 LEU CB C 41.939 0.15 1 890 89 LEU CD1 C 24.153 0.15 2 891 89 LEU CD2 C 25.985 0.15 2 892 89 LEU N N 120.907 0.15 1 893 90 LYS H H 8.075 0.05 1 894 90 LYS HA H 3.860 0.05 1 895 90 LYS HB2 H 1.845 0.05 2 896 90 LYS HG2 H 1.319 0.05 2 897 90 LYS HG3 H 1.077 0.05 2 898 90 LYS HD2 H 1.587 0.05 2 899 90 LYS HE2 H 2.939 0.05 2 900 90 LYS C C 179.965 0.15 1 901 90 LYS CA C 59.938 0.15 1 902 90 LYS CB C 31.999 0.15 1 903 90 LYS CG C 25.295 0.15 1 904 90 LYS CD C 29.348 0.15 1 905 90 LYS N N 118.162 0.15 1 906 91 LYS H H 7.622 0.05 1 907 91 LYS HA H 4.061 0.05 1 908 91 LYS HB3 H 1.931 0.05 2 909 91 LYS HG2 H 1.392 0.05 2 910 91 LYS HG3 H 1.567 0.05 2 911 91 LYS HE2 H 2.933 0.05 2 912 91 LYS C C 179.332 0.15 1 913 91 LYS CA C 59.212 0.15 1 914 91 LYS CB C 32.137 0.15 1 915 91 LYS CG C 25.081 0.15 1 916 91 LYS CD C 29.285 0.15 1 917 91 LYS CE C 42.014 0.15 1 918 91 LYS N N 120.697 0.15 1 919 92 LEU H H 8.074 0.05 1 920 92 LEU HA H 4.110 0.05 1 921 92 LEU HB2 H 1.445 0.05 2 922 92 LEU HB3 H 1.716 0.05 2 923 92 LEU HD1 H 0.840 0.05 2 924 92 LEU HD2 H 0.819 0.05 2 925 92 LEU C C 179.916 0.15 1 926 92 LEU CA C 58.462 0.15 1 927 92 LEU CB C 42.257 0.15 1 928 92 LEU CD1 C 24.749 0.15 2 929 92 LEU CD2 C 25.987 0.15 2 930 92 LEU N N 120.513 0.15 1 931 93 ILE H H 8.185 0.05 1 932 93 ILE HA H 3.506 0.05 1 933 93 ILE HB H 1.813 0.05 1 934 93 ILE HG12 H 0.957 0.05 2 935 93 ILE HG2 H 0.802 0.05 1 936 93 ILE HD1 H 0.723 0.05 1 937 93 ILE C C 178.320 0.15 1 938 93 ILE CA C 65.709 0.15 1 939 93 ILE CB C 37.725 0.15 1 940 93 ILE CG1 C 30.612 0.15 1 941 93 ILE CG2 C 17.477 0.15 1 942 93 ILE CD1 C 12.839 0.15 1 943 93 ILE N N 118.247 0.15 1 944 94 GLY H H 8.217 0.05 1 945 94 GLY HA2 H 3.905 0.05 2 946 94 GLY C C 175.217 0.15 1 947 94 GLY CA C 46.746 0.15 1 948 94 GLY N N 107.826 0.15 1 949 95 GLU H H 7.314 0.05 1 950 95 GLU HA H 4.163 0.05 1 951 95 GLU HB2 H 2.019 0.05 2 952 95 GLU HB3 H 2.184 0.05 2 953 95 GLU HG2 H 2.535 0.05 2 954 95 GLU HG3 H 2.216 0.05 2 955 95 GLU C C 177.036 0.15 1 956 95 GLU CA C 58.013 0.15 1 957 95 GLU CB C 30.942 0.15 1 958 95 GLU CG C 36.989 0.15 1 959 95 GLU N N 117.066 0.15 1 960 96 VAL H H 7.308 0.05 1 961 96 VAL HA H 3.915 0.05 1 962 96 VAL HB H 1.674 0.05 1 963 96 VAL HG1 H 0.320 0.05 2 964 96 VAL HG2 H 0.580 0.05 2 965 96 VAL C C 175.951 0.15 1 966 96 VAL CA C 62.530 0.15 1 967 96 VAL CB C 33.885 0.15 1 968 96 VAL CG1 C 21.155 0.15 1 969 96 VAL CG2 C 21.155 0.15 1 970 96 VAL N N 114.932 0.15 1 971 97 SER H H 8.124 0.05 1 972 97 SER HA H 4.557 0.05 1 973 97 SER HB2 H 3.855 0.05 2 974 97 SER HB3 H 4.099 0.05 2 975 97 SER C C 175.961 0.15 1 976 97 SER CA C 58.463 0.15 1 977 97 SER CB C 65.137 0.15 1 978 97 SER N N 113.389 0.15 1 979 98 SER H H 8.481 0.05 1 980 98 SER HA H 4.579 0.05 1 981 98 SER HB2 H 4.105 0.05 2 982 98 SER HB3 H 3.970 0.05 2 983 98 SER C C 175.203 0.15 1 984 98 SER CA C 58.537 0.15 1 985 98 SER CB C 63.376 0.15 1 986 98 SER N N 120.221 0.15 1 987 99 GLY H H 8.487 0.05 1 988 99 GLY HA2 H 3.884 0.05 2 989 99 GLY HA3 H 4.383 0.05 2 990 99 GLY C C 174.334 0.15 1 991 99 GLY CA C 45.055 0.15 1 992 99 GLY N N 112.290 0.15 1 993 100 SER H H 8.591 0.05 1 994 100 SER HA H 4.486 0.05 1 995 100 SER HB2 H 3.952 0.05 2 996 100 SER HB3 H 4.051 0.05 2 997 100 SER C C 175.315 0.15 1 998 100 SER CA C 58.584 0.15 1 999 100 SER CB C 63.716 0.15 1 1000 100 SER N N 117.551 0.15 1 1001 101 GLY H H 8.266 0.05 1 1002 101 GLY HA2 H 3.999 0.05 2 1003 101 GLY HA3 H 4.131 0.05 2 1004 101 GLY C C 173.703 0.15 1 1005 101 GLY CA C 45.564 0.15 1 1006 101 GLY N N 109.496 0.15 1 1007 102 GLU H H 8.414 0.05 1 1008 102 GLU HA H 4.399 0.05 1 1009 102 GLU HB2 H 2.251 0.05 2 1010 102 GLU HB3 H 1.983 0.05 2 1011 102 GLU HG2 H 2.200 0.05 2 1012 102 GLU HG3 H 2.306 0.05 2 1013 102 GLU C C 175.409 0.15 1 1014 102 GLU CA C 56.799 0.15 1 1015 102 GLU CB C 30.520 0.15 1 1016 102 GLU CG C 36.908 0.15 1 1017 102 GLU N N 117.786 0.15 1 1018 103 THR H H 7.490 0.05 1 1019 103 THR HA H 5.337 0.05 1 1020 103 THR HB H 3.929 0.05 1 1021 103 THR HG2 H 1.071 0.05 1 1022 103 THR C C 173.710 0.15 1 1023 103 THR CA C 59.293 0.15 1 1024 103 THR CB C 72.966 0.15 1 1025 103 THR CG2 C 21.740 0.15 1 1026 103 THR N N 107.768 0.15 1 1027 104 PHE H H 8.648 0.05 1 1028 104 PHE HA H 5.200 0.05 1 1029 104 PHE HB2 H 2.824 0.05 2 1030 104 PHE HB3 H 3.481 0.05 2 1031 104 PHE HD1 H 7.308 0.05 4 1032 104 PHE HD2 H 7.308 0.05 4 1033 104 PHE HE1 H 6.923 0.05 4 1034 104 PHE HE2 H 6.923 0.05 4 1035 104 PHE C C 171.723 0.15 1 1036 104 PHE CA C 56.608 0.15 1 1037 104 PHE CB C 41.884 0.15 1 1038 104 PHE N N 114.956 0.15 1 1039 105 SER H H 8.580 0.05 1 1040 105 SER HA H 5.267 0.05 1 1041 105 SER HB2 H 3.828 0.05 2 1042 105 SER HB3 H 4.202 0.05 2 1043 105 SER C C 175.656 0.15 1 1044 105 SER CA C 56.409 0.15 1 1045 105 SER CB C 68.029 0.15 1 1046 105 SER N N 116.246 0.15 1 1047 106 TYR H H 9.132 0.05 1 1048 106 TYR HA H 4.238 0.05 1 1049 106 TYR HB2 H 2.339 0.05 2 1050 106 TYR HB3 H 2.552 0.05 2 1051 106 TYR HD1 H 6.160 0.05 4 1052 106 TYR HD2 H 6.160 0.05 4 1053 106 TYR HE1 H 6.555 0.05 4 1054 106 TYR HE2 H 6.555 0.05 4 1055 106 TYR HH H 9.618 0.05 1 1056 106 TYR CA C 61.923 0.15 1 1057 106 TYR CB C 36.008 0.15 1 1058 106 TYR N N 121.074 0.15 1 1059 107 PRO HA H 3.852 0.05 1 1060 107 PRO HB2 H 1.957 0.05 2 1061 107 PRO HB3 H 2.496 0.05 2 1062 107 PRO HG2 H 2.253 0.05 2 1063 107 PRO HD2 H 4.084 0.05 2 1064 107 PRO HD3 H 3.844 0.05 2 1065 107 PRO C C 178.191 0.15 1 1066 107 PRO CA C 66.681 0.15 1 1067 107 PRO CB C 30.833 0.15 1 1068 107 PRO CG C 29.018 0.15 1 1069 107 PRO CD C 49.177 0.15 1 1070 108 ASP H H 7.348 0.05 1 1071 108 ASP HA H 4.324 0.05 1 1072 108 ASP HB2 H 2.994 0.05 2 1073 108 ASP HB3 H 3.421 0.05 2 1074 108 ASP C C 179.004 0.15 1 1075 108 ASP CA C 57.524 0.15 1 1076 108 ASP CB C 40.739 0.15 1 1077 108 ASP N N 116.026 0.15 1 1078 109 PHE H H 8.750 0.05 1 1079 109 PHE HA H 3.822 0.05 1 1080 109 PHE HB2 H 3.282 0.05 2 1081 109 PHE HB3 H 3.556 0.05 2 1082 109 PHE HE1 H 7.020 0.05 4 1083 109 PHE HE2 H 7.020 0.05 4 1084 109 PHE C C 176.621 0.15 1 1085 109 PHE CA C 61.472 0.15 1 1086 109 PHE CB C 39.822 0.15 1 1087 109 PHE N N 124.180 0.15 1 1088 110 LEU H H 8.570 0.05 1 1089 110 LEU HA H 3.098 0.05 1 1090 110 LEU HB2 H 0.083 0.05 2 1091 110 LEU HB3 H 1.042 0.05 2 1092 110 LEU HD1 H -0.399 0.05 2 1093 110 LEU HD2 H 0.428 0.05 2 1094 110 LEU C C 178.761 0.15 1 1095 110 LEU CA C 57.463 0.15 1 1096 110 LEU CB C 42.336 0.15 1 1097 110 LEU CD1 C 24.975 0.15 2 1098 110 LEU CD2 C 23.031 0.15 2 1099 110 LEU N N 119.228 0.15 1 1100 111 ARG H H 8.252 0.05 1 1101 111 ARG HA H 3.794 0.05 1 1102 111 ARG HB2 H 1.805 0.05 2 1103 111 ARG HD2 H 3.246 0.05 2 1104 111 ARG HD3 H 3.401 0.05 2 1105 111 ARG C C 179.676 0.15 1 1106 111 ARG CA C 60.716 0.15 1 1107 111 ARG CB C 30.231 0.15 1 1108 111 ARG CD C 43.456 0.15 1 1109 111 ARG N N 117.089 0.15 1 1110 112 MET H H 7.560 0.05 1 1111 112 MET HA H 4.007 0.05 1 1112 112 MET HB2 H 2.035 0.05 2 1113 112 MET HB3 H 1.411 0.05 2 1114 112 MET HG2 H 1.478 0.05 2 1115 112 MET HE H 1.641 0.05 1 1116 112 MET C C 178.444 0.15 1 1117 112 MET CA C 58.120 0.15 1 1118 112 MET CB C 31.941 0.15 1 1119 112 MET CG C 31.140 0.15 1 1120 112 MET CE C 16.604 0.15 1 1121 112 MET N N 118.013 0.15 1 1122 113 MET H H 8.147 0.05 1 1123 113 MET HA H 3.786 0.05 1 1124 113 MET HB2 H 0.691 0.05 2 1125 113 MET HG2 H 0.702 0.05 2 1126 113 MET HG3 H 1.437 0.05 2 1127 113 MET HE H 1.713 0.05 1 1128 113 MET C C 178.525 0.15 1 1129 113 MET CA C 56.397 0.15 1 1130 113 MET CB C 29.938 0.15 1 1131 113 MET CG C 31.533 0.15 1 1132 113 MET CE C 17.171 0.15 1 1133 113 MET N N 118.191 0.15 1 1134 114 LEU H H 8.356 0.05 1 1135 114 LEU HA H 4.252 0.05 1 1136 114 LEU HB3 H 1.546 0.05 2 1137 114 LEU HG H 1.447 0.05 1 1138 114 LEU HD1 H 0.885 0.05 2 1139 114 LEU HD2 H 0.278 0.05 2 1140 114 LEU C C 178.310 0.15 1 1141 114 LEU CA C 55.312 0.15 1 1142 114 LEU CB C 42.991 0.15 1 1143 114 LEU CD1 C 23.269 0.15 2 1144 114 LEU CD2 C 25.374 0.15 2 1145 114 LEU N N 116.888 0.15 1 1146 115 GLY H H 7.234 0.05 1 1147 115 GLY HA2 H 4.272 0.05 2 1148 115 GLY HA3 H 3.948 0.05 2 1149 115 GLY C C 173.457 0.15 1 1150 115 GLY CA C 45.162 0.15 1 1151 115 GLY N N 107.387 0.15 1 1152 116 LYS H H 8.324 0.05 1 1153 116 LYS HA H 4.306 0.05 1 1154 116 LYS HB2 H 1.756 0.05 2 1155 116 LYS HB3 H 1.927 0.05 2 1156 116 LYS HG2 H 1.480 0.05 2 1157 116 LYS HD2 H 1.679 0.05 2 1158 116 LYS HE2 H 2.992 0.05 2 1159 116 LYS C C 177.802 0.15 1 1160 116 LYS CA C 56.434 0.15 1 1161 116 LYS CB C 32.902 0.15 1 1162 116 LYS CG C 24.953 0.15 1 1163 116 LYS CD C 28.854 0.15 1 1164 116 LYS CE C 42.245 0.15 1 1165 116 LYS N N 117.782 0.15 1 1166 117 ARG H H 7.916 0.05 1 1167 117 ARG HA H 4.252 0.05 1 1168 117 ARG HB2 H 1.786 0.05 2 1169 117 ARG HD2 H 3.169 0.05 2 1170 117 ARG CA C 56.126 0.15 1 1171 117 ARG CB C 30.843 0.15 1 1172 117 ARG N N 120.094 0.15 1 1173 118 SER HA H 4.360 0.05 1 1174 118 SER HB3 H 3.822 0.05 2 1175 118 SER C C 173.773 0.15 1 1176 118 SER CA C 57.956 0.15 1 1177 118 SER CB C 63.022 0.15 1 1178 119 ALA H H 7.576 0.05 1 1179 119 ALA HA H 4.379 0.05 1 1180 119 ALA HB H 1.288 0.05 1 1181 119 ALA C C 177.674 0.15 1 1182 119 ALA CA C 51.963 0.15 1 1183 119 ALA CB C 20.204 0.15 1 1184 119 ALA N N 125.266 0.15 1 1185 120 ILE H H 9.558 0.05 1 1186 120 ILE HA H 3.686 0.05 1 1187 120 ILE HB H 1.847 0.05 1 1188 120 ILE HG12 H 1.338 0.05 2 1189 120 ILE HG13 H 1.717 0.05 2 1190 120 ILE HG2 H 0.856 0.05 1 1191 120 ILE HD1 H 0.829 0.05 1 1192 120 ILE C C 178.851 0.15 1 1193 120 ILE CA C 64.908 0.15 1 1194 120 ILE CB C 36.846 0.15 1 1195 120 ILE CG1 C 28.533 0.15 1 1196 120 ILE CG2 C 17.681 0.15 1 1197 120 ILE CD1 C 11.973 0.15 1 1198 120 ILE N N 125.471 0.15 1 1199 121 LEU H H 9.089 0.05 1 1200 121 LEU HA H 4.014 0.05 1 1201 121 LEU HB2 H 1.364 0.05 2 1202 121 LEU HB3 H 1.518 0.05 2 1203 121 LEU HD1 H 1.011 0.05 2 1204 121 LEU HD2 H 0.813 0.05 2 1205 121 LEU C C 177.234 0.15 1 1206 121 LEU CA C 57.649 0.15 1 1207 121 LEU CB C 41.500 0.15 1 1208 121 LEU CD1 C 24.037 0.15 2 1209 121 LEU CD2 C 26.127 0.15 2 1210 121 LEU N N 117.621 0.15 1 1211 122 LYS H H 6.557 0.05 1 1212 122 LYS HA H 3.664 0.05 1 1213 122 LYS HB2 H 1.654 0.05 2 1214 122 LYS HB3 H 2.036 0.05 2 1215 122 LYS HG2 H 1.320 0.05 2 1216 122 LYS HE2 H 3.010 0.05 2 1217 122 LYS C C 177.137 0.15 1 1218 122 LYS CA C 60.121 0.15 1 1219 122 LYS CB C 33.411 0.15 1 1220 122 LYS CG C 25.361 0.15 1 1221 122 LYS CD C 30.677 0.15 1 1222 122 LYS N N 116.971 0.15 1 1223 123 MET H H 7.611 0.05 1 1224 123 MET HA H 4.154 0.05 1 1225 123 MET HB2 H 2.235 0.05 2 1226 123 MET HG2 H 2.673 0.05 2 1227 123 MET HG3 H 2.549 0.05 2 1228 123 MET C C 179.155 0.15 1 1229 123 MET CA C 58.333 0.15 1 1230 123 MET CB C 31.833 0.15 1 1231 123 MET CG C 32.037 0.15 1 1232 123 MET N N 116.042 0.15 1 1233 124 ILE H H 7.971 0.05 1 1234 124 ILE HA H 3.713 0.05 1 1235 124 ILE HB H 1.866 0.05 1 1236 124 ILE HG12 H 1.093 0.05 2 1237 124 ILE HG2 H 0.848 0.05 1 1238 124 ILE HD1 H 0.806 0.05 1 1239 124 ILE C C 177.857 0.15 1 1240 124 ILE CA C 65.089 0.15 1 1241 124 ILE CB C 38.814 0.15 1 1242 124 ILE CG1 C 28.619 0.15 1 1243 124 ILE CG2 C 17.227 0.15 1 1244 124 ILE CD1 C 14.489 0.15 1 1245 124 ILE N N 119.079 0.15 1 1246 125 LEU H H 7.958 0.05 1 1247 125 LEU HA H 4.169 0.05 1 1248 125 LEU HB2 H 1.515 0.05 2 1249 125 LEU HB3 H 1.835 0.05 2 1250 125 LEU HG H 1.873 0.05 1 1251 125 LEU HD1 H 0.935 0.05 2 1252 125 LEU HD2 H 1.111 0.05 2 1253 125 LEU C C 178.445 0.15 1 1254 125 LEU CA C 56.773 0.15 1 1255 125 LEU CB C 41.699 0.15 1 1256 125 LEU CD1 C 22.028 0.15 2 1257 125 LEU CD2 C 26.521 0.15 2 1258 125 LEU N N 116.353 0.15 1 1259 126 MET H H 7.993 0.05 1 1260 126 MET HA H 4.434 0.05 1 1261 126 MET HB3 H 2.063 0.05 2 1262 126 MET HG2 H 2.666 0.05 2 1263 126 MET HG3 H 2.526 0.05 2 1264 126 MET HE H 1.712 0.05 1 1265 126 MET C C 176.922 0.15 1 1266 126 MET CA C 56.419 0.15 1 1267 126 MET CB C 32.070 0.15 1 1268 126 MET CG C 32.183 0.15 1 1269 126 MET CE C 17.188 0.15 1 1270 126 MET N N 116.401 0.15 1 1271 127 TYR H H 7.794 0.05 1 1272 127 TYR HA H 4.447 0.05 1 1273 127 TYR HB2 H 3.137 0.05 2 1274 127 TYR HD1 H 7.151 0.05 4 1275 127 TYR HD2 H 7.151 0.05 4 1276 127 TYR C C 176.574 0.15 1 1277 127 TYR CA C 59.329 0.15 1 1278 127 TYR CB C 38.258 0.15 1 1279 127 TYR N N 120.043 0.15 1 1280 128 GLU H H 8.139 0.05 1 1281 128 GLU HB2 H 1.939 0.05 2 1282 128 GLU HB3 H 2.045 0.05 2 1283 128 GLU HG2 H 2.232 0.05 2 1284 128 GLU CA C 56.985 0.15 1 1285 128 GLU CB C 30.020 0.15 1 1286 128 GLU N N 121.704 0.15 1 1287 130 LYS H H 8.195 0.05 1 1288 130 LYS HA H 4.206 0.05 1 1289 130 LYS HB3 H 1.790 0.05 2 1290 130 LYS HG3 H 1.404 0.05 2 1291 130 LYS C C 177.134 0.15 1 1292 130 LYS CA C 56.893 0.15 1 1293 130 LYS CB C 32.630 0.15 1 1294 130 LYS CG C 24.738 0.15 1 1295 130 LYS CE C 42.084 0.15 1 1296 130 LYS N N 121.709 0.15 1 1297 131 ALA H H 8.163 0.05 1 1298 131 ALA HA H 4.211 0.05 1 1299 131 ALA HB H 1.367 0.05 1 1300 131 ALA C C 178.335 0.15 1 1301 131 ALA CA C 53.174 0.15 1 1302 131 ALA CB C 18.785 0.15 1 1303 131 ALA N N 123.896 0.15 1 1304 132 ARG H H 8.079 0.05 1 1305 132 ARG HA H 4.248 0.05 1 1306 132 ARG HB2 H 1.810 0.05 2 1307 132 ARG HB3 H 1.779 0.05 2 1308 132 ARG C C 176.737 0.15 1 1309 132 ARG CA C 56.527 0.15 1 1310 132 ARG CB C 30.720 0.15 1 1311 132 ARG CG C 27.032 0.15 1 1312 132 ARG CD C 43.407 0.15 1 1313 132 ARG N N 119.361 0.15 1 1314 133 GLU H H 8.203 0.05 1 1315 133 GLU HA H 4.210 0.05 1 1316 133 GLU HB2 H 2.020 0.05 2 1317 133 GLU HG2 H 2.256 0.05 2 1318 133 GLU C C 177.320 0.15 1 1319 133 GLU CA C 57.077 0.15 1 1320 133 GLU CB C 30.122 0.15 1 1321 133 GLU CG C 36.296 0.15 1 1322 133 GLU N N 121.476 0.15 1 1323 134 LYS H H 8.186 0.05 1 1324 134 LYS HA H 4.246 0.05 1 1325 134 LYS HB2 H 1.763 0.05 2 1326 134 LYS C C 176.637 0.15 1 1327 134 LYS CA C 56.626 0.15 1 1328 134 LYS CB C 32.965 0.15 1 1329 134 LYS N N 121.410 0.15 1 1330 135 GLU HG2 H 2.128 0.05 2 1331 135 GLU H H 8.250 0.05 1 1332 135 GLU HA H 4.239 0.05 1 1333 135 GLU HB2 H 1.930 0.05 2 1334 135 GLU HB3 H 2.010 0.05 2 1335 135 GLU HG3 H 2.247 0.05 2 1336 135 GLU C C 176.232 0.15 1 1337 135 GLU CA C 56.261 0.15 1 1338 135 GLU CB C 30.297 0.15 1 1339 135 GLU CG C 36.218 0.15 1 1340 135 GLU N N 121.347 0.15 1 1341 136 LYS H H 8.299 0.05 1 1342 136 LYS HA H 4.576 0.05 1 1343 136 LYS HB2 H 1.725 0.05 2 1344 136 LYS HB3 H 1.815 0.05 2 1345 136 LYS HG2 H 1.479 0.05 2 1346 136 LYS HE2 H 2.609 0.05 2 1347 136 LYS HE3 H 2.701 0.05 2 1348 136 LYS CA C 54.356 0.15 1 1349 136 LYS CB C 32.096 0.15 1 1350 136 LYS CE C 41.034 0.15 1 1351 136 LYS N N 123.683 0.15 1 1352 137 PRO HA H 4.515 0.05 1 1353 137 PRO HB2 H 2.312 0.05 2 1354 137 PRO HB3 H 1.942 0.05 2 1355 137 PRO HG3 H 2.017 0.05 2 1356 137 PRO HD2 H 3.649 0.05 2 1357 137 PRO HD3 H 3.817 0.05 2 1358 137 PRO C C 177.265 0.15 1 1359 137 PRO CA C 63.211 0.15 1 1360 137 PRO CB C 32.114 0.15 1 1361 137 PRO CG C 27.364 0.15 1 1362 137 PRO CD C 50.643 0.15 1 1363 138 THR H H 8.314 0.05 1 1364 138 THR HB H 4.257 0.05 1 1365 138 THR HG2 H 1.216 0.05 1 1366 138 THR C C 174.857 0.15 1 1367 138 THR CA C 61.692 0.15 1 1368 138 THR CB C 69.916 0.15 1 1369 138 THR CG2 C 21.623 0.15 1 1370 138 THR N N 114.270 0.15 1 1371 139 GLY H H 8.179 0.05 1 1372 139 GLY CA C 44.459 0.15 1 1373 139 GLY N N 111.144 0.15 1 1374 141 PRO HA H 4.404 0.05 1 1375 141 PRO HB2 H 2.275 0.05 2 1376 141 PRO HB3 H 1.899 0.05 2 1377 141 PRO HG3 H 2.018 0.05 2 1378 141 PRO HD2 H 3.623 0.05 2 1379 141 PRO C C 176.664 0.15 1 1380 141 PRO CA C 62.925 0.15 1 1381 141 PRO CB C 32.016 0.15 1 1382 141 PRO CG C 27.332 0.15 1 1383 141 PRO CD C 50.453 0.15 1 1384 142 ALA H H 8.364 0.05 1 1385 142 ALA HA H 4.247 0.05 1 1386 142 ALA HB H 1.360 0.05 1 1387 142 ALA C C 177.738 0.15 1 1388 142 ALA CA C 52.385 0.15 1 1389 142 ALA CB C 19.235 0.15 1 1390 142 ALA N N 124.389 0.15 1 1391 143 LYS H H 8.271 0.05 1 1392 143 LYS HA H 4.257 0.05 1 1393 143 LYS HB2 H 1.715 0.05 2 1394 143 LYS HG3 H 1.422 0.05 2 1395 143 LYS C C 176.367 0.15 1 1396 143 LYS CA C 56.313 0.15 1 1397 143 LYS CB C 33.161 0.15 1 1398 143 LYS CG C 24.689 0.15 1 1399 143 LYS CD C 29.149 0.15 1 1400 143 LYS CE C 42.078 0.15 1 1401 143 LYS N N 121.086 0.15 1 1402 144 LYS H H 8.308 0.05 1 1403 144 LYS HA H 4.268 0.05 1 1404 144 LYS HB3 H 1.724 0.05 2 1405 144 LYS HG2 H 1.436 0.05 2 1406 144 LYS HE3 H 2.974 0.05 2 1407 144 LYS C C 176.113 0.15 1 1408 144 LYS CA C 56.176 0.15 1 1409 144 LYS CB C 33.287 0.15 1 1410 144 LYS CG C 24.828 0.15 1 1411 144 LYS CD C 29.030 0.15 1 1412 144 LYS CE C 42.116 0.15 1 1413 144 LYS N N 123.442 0.15 1 1414 145 ALA H H 8.396 0.05 1 1415 145 ALA HA H 4.321 0.05 1 1416 145 ALA HB H 1.372 0.05 1 1417 145 ALA C C 177.704 0.15 1 1418 145 ALA CA C 52.420 0.15 1 1419 145 ALA CB C 19.181 0.15 1 1420 145 ALA N N 126.137 0.15 1 1421 146 ILE H H 8.159 0.05 1 1422 146 ILE HA H 4.152 0.05 1 1423 146 ILE HB H 1.865 0.05 1 1424 146 ILE HG12 H 1.468 0.05 2 1425 146 ILE HG13 H 1.194 0.05 2 1426 146 ILE HG2 H 0.917 0.05 1 1427 146 ILE HD1 H 0.876 0.05 1 1428 146 ILE C C 176.298 0.15 1 1429 146 ILE CA C 61.331 0.15 1 1430 146 ILE CB C 38.734 0.15 1 1431 146 ILE CG1 C 27.126 0.15 1 1432 146 ILE CG2 C 17.564 0.15 1 1433 146 ILE CD1 C 13.041 0.15 1 1434 146 ILE N N 120.141 0.15 1 1435 147 SER H H 8.263 0.05 1 1436 147 SER HA H 4.422 0.05 1 1437 147 SER HB3 H 3.837 0.05 2 1438 147 SER C C 174.227 0.15 1 1439 147 SER CA C 58.179 0.15 1 1440 147 SER CB C 63.776 0.15 1 1441 147 SER N N 118.926 0.15 1 1442 148 GLU H H 8.367 0.05 1 1443 148 GLU HA H 4.304 0.05 1 1444 148 GLU HB2 H 1.908 0.05 2 1445 148 GLU HB3 H 2.050 0.05 2 1446 148 GLU HG3 H 2.239 0.05 2 1447 148 GLU C C 175.936 0.15 1 1448 148 GLU CA C 56.332 0.15 1 1449 148 GLU CB C 30.419 0.15 1 1450 148 GLU CG C 36.360 0.15 1 1451 148 GLU N N 122.952 0.15 1 1452 149 LEU H H 8.167 0.05 1 1453 149 LEU HA H 4.599 0.05 1 1454 149 LEU HB2 H 1.606 0.05 2 1455 149 LEU HD1 H 0.938 0.05 2 1456 149 LEU HD2 H 0.908 0.05 2 1457 149 LEU CA C 52.921 0.15 1 1458 149 LEU CB C 41.557 0.15 1 1459 149 LEU N N 124.763 0.15 1 stop_ save_