data_6515 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical Shift Assignments for At2g46140.1 ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Song Jikui ? . stop_ _BMRB_accession_number 6515 _BMRB_flat_file_name bmr6515.str _Entry_type new _Submission_date 2005-02-18 _Accession_date 2005-02-18 _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" 735 "13C chemical shifts" 638 "15N chemical shifts" 164 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; ? ; _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 Lee Min S. . 4 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 At2g46140 _Abbreviation_common At2g46140 loop_ _Mol_system_component_name _Mol_label At2g46140 $At2g46140 stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state "all free" save_ ######################## # Monomeric polymers # ######################## save_At2g46140 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common At2g46140 _Mol_thiol_state "all free" ############################## # Polymer residue sequence # ############################## _Residue_count 174 _Mol_residue_sequence ; GHHHHHHLEASADEKVVEEK ASVISSLLDKAKGFFAEKLA NIPTPEATVDDVDFKGVTRD GVDYHAKVSVKNPYSQSIPI CQISYILKSATRTIASGTIP DPGSLVGSGTTVLDVPVKVA YSIAVSLMKDMCTDWDIDYQ LDIGLTFDIPVVGDITIPVS TQGEIKLPSLRDFF ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 HIS 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 LEU 9 GLU 10 ALA 11 SER 12 ALA 13 ASP 14 GLU 15 LYS 16 VAL 17 VAL 18 GLU 19 GLU 20 LYS 21 ALA 22 SER 23 VAL 24 ILE 25 SER 26 SER 27 LEU 28 LEU 29 ASP 30 LYS 31 ALA 32 LYS 33 GLY 34 PHE 35 PHE 36 ALA 37 GLU 38 LYS 39 LEU 40 ALA 41 ASN 42 ILE 43 PRO 44 THR 45 PRO 46 GLU 47 ALA 48 THR 49 VAL 50 ASP 51 ASP 52 VAL 53 ASP 54 PHE 55 LYS 56 GLY 57 VAL 58 THR 59 ARG 60 ASP 61 GLY 62 VAL 63 ASP 64 TYR 65 HIS 66 ALA 67 LYS 68 VAL 69 SER 70 VAL 71 LYS 72 ASN 73 PRO 74 TYR 75 SER 76 GLN 77 SER 78 ILE 79 PRO 80 ILE 81 CYS 82 GLN 83 ILE 84 SER 85 TYR 86 ILE 87 LEU 88 LYS 89 SER 90 ALA 91 THR 92 ARG 93 THR 94 ILE 95 ALA 96 SER 97 GLY 98 THR 99 ILE 100 PRO 101 ASP 102 PRO 103 GLY 104 SER 105 LEU 106 VAL 107 GLY 108 SER 109 GLY 110 THR 111 THR 112 VAL 113 LEU 114 ASP 115 VAL 116 PRO 117 VAL 118 LYS 119 VAL 120 ALA 121 TYR 122 SER 123 ILE 124 ALA 125 VAL 126 SER 127 LEU 128 MET 129 LYS 130 ASP 131 MET 132 CYS 133 THR 134 ASP 135 TRP 136 ASP 137 ILE 138 ASP 139 TYR 140 GLN 141 LEU 142 ASP 143 ILE 144 GLY 145 LEU 146 THR 147 PHE 148 ASP 149 ILE 150 PRO 151 VAL 152 VAL 153 GLY 154 ASP 155 ILE 156 THR 157 ILE 158 PRO 159 VAL 160 SER 161 THR 162 GLN 163 GLY 164 GLU 165 ILE 166 LYS 167 LEU 168 PRO 169 SER 170 LEU 171 ARG 172 ASP 173 PHE 174 PHE stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $At2g46140 "Arabidopsis Thaliana" 3702 Eukaryota Viridiplantae Arabidopsis Thaliana 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 $At2g46140 "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 $At2g46140 0.4 mM "[U-13C, U-15N]" NaCl 100 mM . DTT 10 mM . Bis-Tris 10 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_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Saveframe_category NMR_applied_experiment _Experiment_name ; HNCACB HNCOCACB HNCO HCCHTOCSY CCONH HCCONH 3D N15NOESY 3D C13NOESY HSQC HBACONH ; 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 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_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name At2g46140 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 7 HIS HA H 4.579 0.05 1 2 7 HIS HB3 H 3.084 0.05 2 3 7 HIS C C 174.024 0.15 1 4 7 HIS CA C 56.348 0.15 1 5 7 HIS CB C 30.183 0.15 1 6 8 LEU H H 8.256 0.05 1 7 8 LEU HA H 4.286 0.05 1 8 8 LEU HB3 H 1.574 0.05 2 9 8 LEU HG H 1.448 0.05 1 10 8 LEU HD1 H 0.834 0.05 2 11 8 LEU HD2 H 0.871 0.05 2 12 8 LEU C C 176.183 0.15 1 13 8 LEU CA C 55.476 0.15 1 14 8 LEU CB C 42.311 0.15 1 15 8 LEU CG C 26.782 0.15 1 16 8 LEU CD1 C 23.615 0.15 1 17 8 LEU CD2 C 25.011 0.15 1 18 8 LEU N N 123.753 0.10 1 19 9 GLU H H 8.395 0.05 1 20 9 GLU HA H 4.277 0.05 1 21 9 GLU HB2 H 1.980 0.05 2 22 9 GLU HB3 H 2.090 0.05 2 23 9 GLU HG2 H 2.302 0.05 2 24 9 GLU C C 175.174 0.15 1 25 9 GLU CA C 56.543 0.15 1 26 9 GLU CB C 30.271 0.15 1 27 9 GLU CG C 36.271 0.15 1 28 9 GLU N N 121.846 0.10 1 29 10 ALA H H 8.335 0.05 1 30 10 ALA HA H 4.420 0.05 1 31 10 ALA HB H 1.384 0.05 1 32 10 ALA C C 176.946 0.15 1 33 10 ALA CA C 52.815 0.15 1 34 10 ALA CB C 19.244 0.15 1 35 10 ALA N N 125.326 0.10 1 36 11 SER H H 8.412 0.05 1 37 11 SER HA H 4.401 0.05 1 38 11 SER HB2 H 3.970 0.05 2 39 11 SER HB3 H 4.114 0.05 2 40 11 SER C C 174.206 0.15 1 41 11 SER CA C 58.994 0.15 1 42 11 SER CB C 64.000 0.15 1 43 11 SER N N 115.852 0.10 1 44 12 ALA H H 8.523 0.05 1 45 12 ALA HA H 4.211 0.05 1 46 12 ALA HB H 1.498 0.05 1 47 12 ALA C C 178.593 0.15 1 48 12 ALA CA C 54.755 0.15 1 49 12 ALA CB C 18.476 0.15 1 50 12 ALA N N 125.405 0.10 1 51 13 ASP H H 8.166 0.05 1 52 13 ASP HA H 4.516 0.05 1 53 13 ASP HB2 H 2.583 0.05 2 54 13 ASP C C 177.147 0.15 1 55 13 ASP CA C 56.904 0.15 1 56 13 ASP CB C 40.745 0.15 1 57 13 ASP N N 117.729 0.10 1 58 14 GLU H H 8.347 0.05 1 59 14 GLU HA H 3.945 0.05 1 60 14 GLU HB2 H 2.122 0.05 2 61 14 GLU HG2 H 2.401 0.05 2 62 14 GLU HG3 H 2.285 0.05 2 63 14 GLU C C 176.917 0.15 1 64 14 GLU CA C 59.230 0.15 1 65 14 GLU CB C 29.799 0.15 1 66 14 GLU CG C 36.867 0.15 1 67 14 GLU N N 120.908 0.10 1 68 15 LYS H H 8.048 0.05 1 69 15 LYS HA H 4.126 0.05 1 70 15 LYS HB3 H 1.938 0.05 1 71 15 LYS HG2 H 1.454 0.05 1 72 15 LYS HD2 H 1.661 0.05 1 73 15 LYS HE2 H 2.967 0.05 1 74 15 LYS C C 177.763 0.15 1 75 15 LYS CA C 59.121 0.15 1 76 15 LYS CB C 32.313 0.15 1 77 15 LYS CG C 25.166 0.15 1 78 15 LYS CD C 29.130 0.15 1 79 15 LYS CE C 42.120 0.15 1 80 15 LYS N N 119.874 0.10 1 81 16 VAL H H 7.589 0.05 1 82 16 VAL HA H 3.896 0.05 1 83 16 VAL HB H 2.256 0.05 1 84 16 VAL HG1 H 1.127 0.05 2 85 16 VAL HG2 H 1.051 0.05 2 86 16 VAL C C 177.446 0.15 1 87 16 VAL CA C 65.729 0.15 1 88 16 VAL CB C 32.059 0.15 1 89 16 VAL CG1 C 22.349 0.15 1 90 16 VAL CG2 C 21.215 0.15 1 91 16 VAL N N 119.005 0.10 1 92 17 VAL H H 7.746 0.05 1 93 17 VAL HA H 3.779 0.05 1 94 17 VAL HB H 2.156 0.05 1 95 17 VAL HG1 H 1.090 0.05 2 96 17 VAL HG2 H 0.812 0.05 2 97 17 VAL CA C 65.644 0.15 1 98 17 VAL CB C 31.939 0.15 1 99 17 VAL CG1 C 22.941 0.15 1 100 17 VAL CG2 C 22.006 0.15 1 101 17 VAL N N 120.011 0.10 1 102 18 GLU H H 8.391 0.05 1 103 18 GLU HA H 4.068 0.05 1 104 18 GLU HB3 H 2.138 0.05 2 105 18 GLU C C 178.018 0.15 1 106 18 GLU CA C 59.174 0.15 1 107 18 GLU CB C 29.642 0.15 1 108 18 GLU CG C 36.144 0.15 1 109 18 GLU N N 121.254 0.10 1 110 19 GLU H H 8.342 0.05 1 111 19 GLU HA H 4.110 0.05 1 112 19 GLU HB2 H 2.145 0.05 1 113 19 GLU HG2 H 2.473 0.05 1 114 19 GLU C C 178.627 0.15 1 115 19 GLU CA C 59.866 0.15 1 116 19 GLU CB C 29.586 0.15 1 117 19 GLU CG C 36.380 0.15 1 118 19 GLU N N 121.501 0.10 1 119 20 LYS H H 7.976 0.05 1 120 20 LYS HA H 4.082 0.05 1 121 20 LYS HB2 H 1.919 0.05 2 122 20 LYS HB3 H 1.730 0.05 2 123 20 LYS HE2 H 2.945 0.05 2 124 20 LYS C C 177.890 0.15 1 125 20 LYS CA C 58.815 0.15 1 126 20 LYS CB C 31.926 0.15 1 127 20 LYS CG C 25.387 0.15 1 128 20 LYS CD C 29.030 0.15 1 129 20 LYS N N 119.692 0.10 1 130 21 ALA H H 8.399 0.05 1 131 21 ALA HA H 4.019 0.05 1 132 21 ALA HB H 1.580 0.05 1 133 21 ALA C C 178.194 0.15 1 134 21 ALA CA C 54.946 0.15 1 135 21 ALA CB C 19.358 0.15 1 136 21 ALA N N 120.870 0.10 1 137 22 SER H H 8.201 0.05 1 138 22 SER HA H 4.189 0.05 1 139 22 SER HB2 H 4.044 0.05 2 140 22 SER HB3 H 4.017 0.05 2 141 22 SER C C 175.835 0.15 1 142 22 SER CA C 61.571 0.15 1 143 22 SER CB C 62.518 0.15 1 144 22 SER N N 115.128 0.10 1 145 23 VAL H H 7.159 0.05 1 146 23 VAL HA H 3.814 0.05 1 147 23 VAL HB H 2.185 0.05 1 148 23 VAL HG1 H 0.937 0.05 2 149 23 VAL HG2 H 1.098 0.05 2 150 23 VAL C C 177.749 0.15 1 151 23 VAL CA C 65.670 0.15 1 152 23 VAL CB C 32.333 0.15 1 153 23 VAL CG1 C 21.931 0.15 1 154 23 VAL CG2 C 22.058 0.15 1 155 23 VAL N N 122.255 0.10 1 156 24 ILE H H 7.994 0.05 1 157 24 ILE HA H 3.596 0.05 1 158 24 ILE HB H 1.625 0.05 1 159 24 ILE HG2 H 0.719 0.05 1 160 24 ILE HD1 H 0.683 0.05 1 161 24 ILE C C 176.465 0.15 1 162 24 ILE CA C 65.038 0.15 1 163 24 ILE CB C 38.418 0.15 1 164 24 ILE CG2 C 17.350 0.15 1 165 24 ILE CD1 C 14.213 0.15 1 166 24 ILE N N 121.893 0.10 1 167 25 SER H H 9.179 0.05 1 168 25 SER HB3 H 3.945 0.05 2 169 25 SER C C 175.614 0.15 1 170 25 SER CA C 62.430 0.15 1 171 25 SER CB C 62.282 0.15 1 172 25 SER N N 116.565 0.10 1 173 26 SER H H 7.385 0.05 1 174 26 SER HA H 4.352 0.05 1 175 26 SER HB2 H 4.011 0.05 2 176 26 SER C C 175.657 0.15 1 177 26 SER CA C 61.407 0.15 1 178 26 SER CB C 62.838 0.15 1 179 26 SER N N 116.063 0.10 1 180 27 LEU H H 7.591 0.05 1 181 27 LEU HA H 4.159 0.05 1 182 27 LEU HB3 H 1.814 0.05 2 183 27 LEU HG H 1.618 0.05 1 184 27 LEU HD1 H 0.793 0.05 2 185 27 LEU HD2 H 0.824 0.05 2 186 27 LEU C C 178.841 0.15 1 187 27 LEU CA C 58.147 0.15 1 188 27 LEU CB C 41.575 0.15 1 189 27 LEU CG C 26.659 0.15 1 190 27 LEU CD1 C 24.113 0.15 1 191 27 LEU CD2 C 24.170 0.15 1 192 27 LEU N N 123.714 0.10 1 193 28 LEU H H 8.647 0.05 1 194 28 LEU HA H 3.946 0.05 1 195 28 LEU HB2 H 1.980 0.05 2 196 28 LEU HB3 H 1.346 0.05 2 197 28 LEU HD1 H 0.713 0.05 2 198 28 LEU HD2 H 0.573 0.05 2 199 28 LEU C C 177.886 0.15 1 200 28 LEU CA C 57.902 0.15 1 201 28 LEU CB C 40.579 0.15 1 202 28 LEU CD1 C 25.534 0.15 1 203 28 LEU CD2 C 21.838 0.15 1 204 28 LEU N N 120.799 0.10 1 205 29 ASP H H 8.345 0.05 1 206 29 ASP HA H 4.410 0.05 1 207 29 ASP HB2 H 2.701 0.05 2 208 29 ASP HB3 H 2.828 0.05 2 209 29 ASP C C 178.728 0.15 1 210 29 ASP CA C 57.695 0.15 1 211 29 ASP CB C 40.699 0.15 1 212 29 ASP N N 120.677 0.10 1 213 30 LYS H H 7.932 0.05 1 214 30 LYS HA H 4.136 0.05 1 215 30 LYS HB2 H 1.952 0.05 2 216 30 LYS HG2 H 1.612 0.05 2 217 30 LYS HD2 H 1.663 0.05 2 218 30 LYS HE2 H 2.945 0.05 2 219 30 LYS C C 178.058 0.15 1 220 30 LYS CA C 59.068 0.15 1 221 30 LYS CB C 32.306 0.15 1 222 30 LYS CG C 25.214 0.15 1 223 30 LYS CD C 29.254 0.15 1 224 30 LYS CE C 42.053 0.15 1 225 30 LYS N N 121.261 0.10 1 226 31 ALA H H 8.360 0.05 1 227 31 ALA HA H 4.404 0.05 1 228 31 ALA HB H 1.567 0.05 1 229 31 ALA C C 179.432 0.15 1 230 31 ALA CA C 54.706 0.15 1 231 31 ALA CB C 18.526 0.15 1 232 31 ALA N N 122.810 0.10 1 233 32 LYS H H 8.342 0.05 1 234 32 LYS HA H 4.164 0.05 1 235 32 LYS HB3 H 2.009 0.05 1 236 32 LYS HG2 H 1.736 0.05 1 237 32 LYS HE2 H 2.944 0.05 1 238 32 LYS C C 178.242 0.15 1 239 32 LYS CA C 59.811 0.15 1 240 32 LYS CB C 32.868 0.15 1 241 32 LYS CG C 26.074 0.15 1 242 32 LYS CD C 29.627 0.15 1 243 32 LYS N N 119.463 0.10 1 244 33 GLY H H 7.843 0.05 1 245 33 GLY HA2 H 4.034 0.05 2 246 33 GLY C C 174.315 0.15 1 247 33 GLY CA C 46.966 0.15 1 248 33 GLY N N 107.679 0.10 1 249 34 PHE H H 8.349 0.05 1 250 34 PHE HA H 4.381 0.05 1 251 34 PHE HB2 H 3.270 0.05 2 252 34 PHE HB3 H 3.150 0.05 2 253 34 PHE HD1 H 7.261 0.05 4 254 34 PHE C C 176.305 0.15 1 255 34 PHE CA C 60.826 0.15 1 256 34 PHE CB C 39.618 0.15 1 257 34 PHE N N 123.175 0.10 1 258 35 PHE H H 8.419 0.05 1 259 35 PHE HA H 4.185 0.05 1 260 35 PHE HB2 H 3.412 0.05 2 261 35 PHE HB3 H 3.361 0.05 2 262 35 PHE HD1 H 7.369 0.05 4 263 35 PHE C C 176.075 0.15 1 264 35 PHE CA C 60.855 0.15 1 265 35 PHE CB C 39.315 0.15 1 266 35 PHE N N 118.912 0.10 1 267 36 ALA H H 7.662 0.05 1 268 36 ALA HA H 4.174 0.05 1 269 36 ALA HB H 1.592 0.05 1 270 36 ALA C C 178.100 0.15 1 271 36 ALA CA C 54.344 0.15 1 272 36 ALA CB C 18.754 0.15 1 273 36 ALA N N 120.100 0.10 1 274 37 GLU H H 7.866 0.05 1 275 37 GLU HA H 4.227 0.05 1 276 37 GLU HB3 H 2.011 0.05 2 277 37 GLU HG2 H 2.204 0.05 2 278 37 GLU HG3 H 2.363 0.05 2 279 37 GLU C C 176.780 0.15 1 280 37 GLU CA C 57.844 0.15 1 281 37 GLU CB C 31.078 0.15 1 282 37 GLU CG C 36.355 0.15 1 283 37 GLU N N 115.688 0.10 1 284 38 LYS H H 8.072 0.05 1 285 38 LYS HA H 4.280 0.05 1 286 38 LYS HB2 H 1.510 0.05 2 287 38 LYS HB3 H 1.301 0.05 2 288 38 LYS HG2 H 1.168 0.05 2 289 38 LYS HD2 H 1.482 0.05 2 290 38 LYS HE2 H 2.870 0.05 2 291 38 LYS C C 176.570 0.15 1 292 38 LYS CA C 56.657 0.15 1 293 38 LYS CB C 33.343 0.15 1 294 38 LYS CG C 24.481 0.15 1 295 38 LYS CD C 28.675 0.15 1 296 38 LYS CE C 41.997 0.15 1 297 38 LYS N N 117.038 0.10 1 298 39 LEU H H 7.619 0.05 1 299 39 LEU HA H 4.440 0.05 1 300 39 LEU HB3 H 1.583 0.05 2 301 39 LEU HG H 1.057 0.05 1 302 39 LEU HD2 H 0.877 0.05 2 303 39 LEU C C 175.625 0.15 1 304 39 LEU CA C 54.390 0.15 1 305 39 LEU CB C 41.542 0.15 1 306 39 LEU CG C 26.291 0.15 1 307 39 LEU CD2 C 23.351 0.15 1 308 39 LEU N N 118.420 0.10 1 309 40 ALA H H 7.617 0.05 1 310 40 ALA HA H 3.998 0.05 1 311 40 ALA HB H 1.352 0.05 1 312 40 ALA C C 177.161 0.15 1 313 40 ALA CA C 54.362 0.15 1 314 40 ALA CB C 18.668 0.15 1 315 40 ALA N N 122.489 0.10 1 316 41 ASN H H 8.427 0.05 1 317 41 ASN HA H 4.717 0.05 1 318 41 ASN HB2 H 2.733 0.05 2 319 41 ASN HB3 H 2.927 0.05 2 320 41 ASN HD21 H 7.536 0.05 2 321 41 ASN HD22 H 6.876 0.05 2 322 41 ASN C C 173.169 0.15 1 323 41 ASN CA C 53.032 0.15 1 324 41 ASN CB C 38.673 0.15 1 325 41 ASN N N 113.635 0.10 1 326 41 ASN ND2 N 113.173 0.10 1 327 42 ILE H H 7.454 0.05 1 328 42 ILE HA H 4.646 0.05 1 329 42 ILE HB H 1.901 0.05 1 330 42 ILE HG12 H 1.473 0.05 2 331 42 ILE HG13 H 1.234 0.05 2 332 42 ILE HG2 H 0.950 0.05 1 333 42 ILE HD1 H 0.892 0.05 1 334 42 ILE CA C 57.604 0.15 1 335 42 ILE CB C 39.908 0.15 1 336 42 ILE CG1 C 26.717 0.15 1 337 42 ILE CG2 C 16.991 0.15 1 338 42 ILE CD1 C 12.683 0.15 1 339 42 ILE N N 120.963 0.10 1 340 43 PRO HA H 4.486 0.05 1 341 43 PRO HB2 H 1.269 0.05 2 342 43 PRO HB3 H 1.983 0.05 2 343 43 PRO HD2 H 3.708 0.05 2 344 43 PRO C C 176.423 0.15 1 345 43 PRO CA C 63.045 0.15 1 346 43 PRO CB C 30.899 0.15 1 347 43 PRO CG C 27.618 0.15 1 348 44 THR H H 8.702 0.05 1 349 44 THR HA H 5.100 0.05 1 350 44 THR HB H 4.274 0.05 1 351 44 THR HG2 H 1.423 0.05 1 352 44 THR CA C 58.187 0.15 1 353 44 THR CB C 70.553 0.15 1 354 44 THR CG2 C 22.973 0.15 1 355 44 THR N N 115.525 0.10 1 356 45 PRO HA H 4.827 0.05 1 357 45 PRO HB2 H 1.827 0.05 2 358 45 PRO HB3 H 1.230 0.05 2 359 45 PRO C C 173.382 0.15 1 360 45 PRO CA C 62.685 0.15 1 361 45 PRO CB C 32.502 0.15 1 362 45 PRO CG C 27.465 0.15 1 363 46 GLU H H 8.036 0.05 1 364 46 GLU HA H 4.711 0.05 1 365 46 GLU HB3 H 1.995 0.05 2 366 46 GLU HG2 H 2.371 0.05 2 367 46 GLU C C 173.713 0.15 1 368 46 GLU CA C 54.757 0.15 1 369 46 GLU CB C 33.129 0.15 1 370 46 GLU CG C 36.508 0.15 1 371 46 GLU N N 121.793 0.10 1 372 47 ALA H H 9.113 0.05 1 373 47 ALA HA H 5.780 0.05 1 374 47 ALA HB H 1.194 0.05 1 375 47 ALA C C 174.290 0.15 1 376 47 ALA CA C 50.242 0.15 1 377 47 ALA CB C 24.373 0.15 1 378 47 ALA N N 128.836 0.10 1 379 48 THR H H 8.738 0.05 1 380 48 THR HA H 4.427 0.05 1 381 48 THR HB H 4.020 0.05 1 382 48 THR HG2 H 1.178 0.05 1 383 48 THR C C 171.493 0.15 1 384 48 THR CA C 60.879 0.15 1 385 48 THR CB C 71.733 0.15 1 386 48 THR CG2 C 21.531 0.15 1 387 48 THR N N 114.066 0.10 1 388 49 VAL H H 8.794 0.05 1 389 49 VAL HA H 4.377 0.05 1 390 49 VAL HB H 1.996 0.05 1 391 49 VAL HG1 H 0.769 0.05 1 392 49 VAL C C 173.924 0.15 1 393 49 VAL CA C 62.161 0.15 1 394 49 VAL CB C 31.077 0.15 1 395 49 VAL CG1 C 22.068 0.15 1 396 49 VAL N N 123.864 0.10 1 397 50 ASP H H 8.954 0.05 1 398 50 ASP HA H 4.557 0.05 1 399 50 ASP HB2 H 2.723 0.05 2 400 50 ASP HB3 H 2.310 0.05 2 401 50 ASP C C 174.784 0.15 1 402 50 ASP CA C 56.105 0.15 1 403 50 ASP CB C 42.297 0.15 1 404 50 ASP N N 130.494 0.10 1 405 51 ASP H H 7.503 0.05 1 406 51 ASP HA H 4.764 0.05 1 407 51 ASP HB2 H 2.467 0.05 2 408 51 ASP HB3 H 2.593 0.05 2 409 51 ASP C C 173.386 0.15 1 410 51 ASP CA C 54.285 0.15 1 411 51 ASP CB C 44.742 0.15 1 412 51 ASP N N 114.995 0.10 1 413 52 VAL H H 8.056 0.05 1 414 52 VAL HA H 4.417 0.05 1 415 52 VAL HB H 1.660 0.05 1 416 52 VAL HG1 H 0.233 0.05 2 417 52 VAL HG2 H 0.627 0.05 2 418 52 VAL C C 172.921 0.15 1 419 52 VAL CA C 62.697 0.15 1 420 52 VAL CB C 33.408 0.15 1 421 52 VAL CG1 C 20.358 0.15 1 422 52 VAL CG2 C 22.113 0.15 1 423 52 VAL N N 121.671 0.10 1 424 53 ASP H H 8.699 0.05 1 425 53 ASP HA H 5.226 0.05 1 426 53 ASP HB3 H 2.597 0.05 2 427 53 ASP C C 174.322 0.15 1 428 53 ASP CA C 52.618 0.15 1 429 53 ASP CB C 44.727 0.15 1 430 53 ASP N N 124.613 0.10 1 431 54 PHE H H 8.975 0.05 1 432 54 PHE HA H 4.438 0.05 1 433 54 PHE HB2 H 2.928 0.05 2 434 54 PHE HB3 H 3.425 0.05 2 435 54 PHE HD1 H 6.876 0.05 4 436 54 PHE C C 173.051 0.15 1 437 54 PHE CA C 58.453 0.15 1 438 54 PHE CB C 40.135 0.15 1 439 54 PHE N N 124.437 0.10 1 440 55 LYS H H 8.369 0.05 1 441 55 LYS HA H 4.198 0.05 1 442 55 LYS HB2 H 1.388 0.05 2 443 55 LYS HB3 H 1.024 0.05 2 444 55 LYS HG2 H 0.815 0.05 2 445 55 LYS HG3 H 0.974 0.05 2 446 55 LYS HD2 H 1.190 0.05 2 447 55 LYS HE2 H 2.556 0.05 2 448 55 LYS C C 174.333 0.15 1 449 55 LYS CA C 54.936 0.15 1 450 55 LYS CB C 33.690 0.15 1 451 55 LYS CG C 23.968 0.15 1 452 55 LYS CD C 27.785 0.15 1 453 55 LYS CE C 41.615 0.15 1 454 55 LYS N N 127.399 0.10 1 455 56 GLY H H 6.377 0.05 1 456 56 GLY HA2 H 3.497 0.05 2 457 56 GLY HA3 H 4.022 0.05 2 458 56 GLY C C 168.852 0.15 1 459 56 GLY CA C 45.897 0.15 1 460 56 GLY N N 105.669 0.10 1 461 57 VAL H H 8.371 0.05 1 462 57 VAL HA H 4.948 0.05 1 463 57 VAL HB H 2.076 0.05 1 464 57 VAL HG1 H 0.950 0.05 2 465 57 VAL HG2 H 1.022 0.05 2 466 57 VAL C C 172.754 0.15 1 467 57 VAL CA C 60.454 0.15 1 468 57 VAL CB C 34.583 0.15 1 469 57 VAL CG1 C 22.396 0.15 1 470 57 VAL CG2 C 20.510 0.15 1 471 57 VAL N N 116.952 0.10 1 472 58 THR H H 8.557 0.05 1 473 58 THR HA H 4.725 0.05 1 474 58 THR HB H 4.535 0.05 1 475 58 THR HG2 H 1.175 0.05 1 476 58 THR C C 173.611 0.15 1 477 58 THR CA C 60.103 0.15 1 478 58 THR CB C 73.150 0.15 1 479 58 THR CG2 C 21.807 0.15 1 480 58 THR N N 117.045 0.10 1 481 59 ARG H H 8.627 0.05 1 482 59 ARG HA H 3.692 0.05 1 483 59 ARG HB3 H 1.697 0.05 2 484 59 ARG HG2 H 1.499 0.05 2 485 59 ARG HD2 H 2.955 0.05 2 486 59 ARG C C 174.871 0.15 1 487 59 ARG CA C 57.931 0.15 1 488 59 ARG CB C 29.362 0.15 1 489 59 ARG CG C 27.213 0.15 1 490 59 ARG CD C 43.166 0.15 1 491 59 ARG N N 118.005 0.10 1 492 60 ASP H H 8.047 0.05 1 493 60 ASP HA H 4.763 0.05 1 494 60 ASP HB2 H 2.695 0.05 2 495 60 ASP HB3 H 2.413 0.05 2 496 60 ASP C C 176.142 0.15 1 497 60 ASP CA C 54.700 0.15 1 498 60 ASP CB C 41.757 0.15 1 499 60 ASP N N 114.526 0.10 1 500 61 GLY H H 7.864 0.05 1 501 61 GLY HA2 H 3.606 0.05 2 502 61 GLY HA3 H 4.854 0.05 2 503 61 GLY C C 170.268 0.15 1 504 61 GLY CA C 44.788 0.15 1 505 61 GLY N N 108.624 0.10 1 506 62 VAL H H 9.256 0.05 1 507 62 VAL HA H 4.268 0.05 1 508 62 VAL HB H 2.028 0.05 1 509 62 VAL HG1 H 0.934 0.05 2 510 62 VAL HG2 H 0.940 0.05 2 511 62 VAL C C 172.765 0.15 1 512 62 VAL CA C 62.228 0.15 1 513 62 VAL CB C 33.619 0.15 1 514 62 VAL CG1 C 21.370 0.15 1 515 62 VAL CG2 C 23.130 0.15 1 516 62 VAL N N 122.005 0.10 1 517 63 ASP H H 8.909 0.05 1 518 63 ASP HA H 5.076 0.05 1 519 63 ASP HB2 H 2.275 0.05 2 520 63 ASP HB3 H 2.469 0.05 2 521 63 ASP C C 173.362 0.15 1 522 63 ASP CA C 54.433 0.15 1 523 63 ASP CB C 42.645 0.15 1 524 63 ASP N N 126.844 0.10 1 525 64 TYR H H 8.763 0.05 1 526 64 TYR HA H 5.092 0.05 1 527 64 TYR HB2 H 2.506 0.05 2 528 64 TYR HB3 H 2.565 0.05 2 529 64 TYR HD1 H 6.740 0.05 4 530 64 TYR C C 174.309 0.15 1 531 64 TYR CA C 56.934 0.15 1 532 64 TYR CB C 41.492 0.15 1 533 64 TYR N N 121.887 0.10 1 534 65 HIS H H 9.274 0.05 1 535 65 HIS HA H 5.261 0.05 1 536 65 HIS HB3 H 2.903 0.05 2 537 65 HIS C C 172.102 0.15 1 538 65 HIS CA C 54.241 0.15 1 539 65 HIS CB C 32.188 0.15 1 540 65 HIS N N 118.910 0.10 1 541 66 ALA H H 9.000 0.05 1 542 66 ALA HA H 5.140 0.05 1 543 66 ALA HB H 0.974 0.05 1 544 66 ALA C C 173.574 0.15 1 545 66 ALA CA C 49.647 0.15 1 546 66 ALA CB C 20.425 0.15 1 547 66 ALA N N 127.554 0.10 1 548 67 LYS H H 8.513 0.05 1 549 67 LYS HA H 5.000 0.05 1 550 67 LYS HB3 H 1.690 0.05 2 551 67 LYS HG2 H 1.365 0.05 2 552 67 LYS HD2 H 1.549 0.05 2 553 67 LYS HE2 H 2.863 0.05 2 554 67 LYS C C 174.212 0.15 1 555 67 LYS CA C 54.913 0.15 1 556 67 LYS CB C 33.798 0.15 1 557 67 LYS CG C 24.641 0.15 1 558 67 LYS CD C 29.189 0.15 1 559 67 LYS N N 124.588 0.10 1 560 68 VAL H H 8.947 0.05 1 561 68 VAL HA H 4.928 0.05 1 562 68 VAL HB H 1.956 0.05 1 563 68 VAL HG1 H 0.767 0.05 1 564 68 VAL C C 173.800 0.15 1 565 68 VAL CA C 60.123 0.15 1 566 68 VAL CB C 34.773 0.15 1 567 68 VAL CG1 C 21.659 0.15 1 568 68 VAL N N 126.781 0.10 1 569 69 SER H H 8.862 0.05 1 570 69 SER HA H 5.075 0.05 1 571 69 SER HB2 H 3.801 0.05 2 572 69 SER HB3 H 3.589 0.05 2 573 69 SER C C 173.553 0.15 1 574 69 SER CA C 58.682 0.15 1 575 69 SER CB C 64.061 0.15 1 576 69 SER N N 124.340 0.10 1 577 70 VAL H H 9.301 0.05 1 578 70 VAL HA H 5.035 0.05 1 579 70 VAL HB H 2.096 0.05 1 580 70 VAL HG1 H 0.813 0.05 2 581 70 VAL HG2 H 0.820 0.05 2 582 70 VAL C C 173.727 0.15 1 583 70 VAL CA C 60.456 0.15 1 584 70 VAL CB C 33.791 0.15 1 585 70 VAL CG1 C 21.889 0.15 1 586 70 VAL CG2 C 24.336 0.15 1 587 70 VAL N N 124.108 0.10 1 588 71 LYS H H 9.220 0.05 1 589 71 LYS HA H 4.877 0.05 1 590 71 LYS HB3 H 1.990 0.05 2 591 71 LYS HG2 H 1.758 0.05 2 592 71 LYS HG3 H 1.337 0.05 2 593 71 LYS C C 172.273 0.15 1 594 71 LYS CA C 55.823 0.15 1 595 71 LYS CB C 33.990 0.15 1 596 71 LYS N N 129.012 0.10 1 597 72 ASN H H 8.384 0.05 1 598 72 ASN HA H 5.061 0.05 1 599 72 ASN HB2 H 3.508 0.05 2 600 72 ASN HB3 H 2.892 0.05 2 601 72 ASN HD21 H 7.082 0.05 2 602 72 ASN HD22 H 6.433 0.05 2 603 72 ASN CA C 48.633 0.15 1 604 72 ASN CB C 41.993 0.15 1 605 72 ASN N N 122.706 0.10 1 606 72 ASN ND2 N 109.198 0.10 1 607 73 PRO HA H 4.419 0.05 1 608 73 PRO HB2 H 2.082 0.05 2 609 73 PRO HB3 H 1.638 0.05 2 610 73 PRO HG2 H 1.251 0.05 2 611 73 PRO C C 176.177 0.15 1 612 73 PRO CA C 62.798 0.15 1 613 73 PRO CB C 31.794 0.15 1 614 74 TYR H H 7.834 0.05 1 615 74 TYR HA H 4.369 0.05 1 616 74 TYR HB3 H 3.251 0.05 2 617 74 TYR HD1 H 7.359 0.05 4 618 74 TYR C C 174.390 0.15 1 619 74 TYR CA C 58.774 0.15 1 620 74 TYR CB C 37.980 0.15 1 621 74 TYR N N 121.441 0.10 1 622 75 SER H H 8.786 0.05 1 623 75 SER HA H 4.557 0.05 1 624 75 SER HB2 H 3.926 0.05 2 625 75 SER C C 173.814 0.15 1 626 75 SER CA C 58.716 0.15 1 627 75 SER CB C 62.983 0.15 1 628 75 SER N N 116.330 0.10 1 629 76 GLN H H 7.999 0.05 1 630 76 GLN HA H 4.532 0.05 1 631 76 GLN HB2 H 2.084 0.05 2 632 76 GLN HG2 H 2.307 0.05 2 633 76 GLN HE21 H 6.900 0.05 2 634 76 GLN HE22 H 7.596 0.05 2 635 76 GLN C C 173.231 0.15 1 636 76 GLN CA C 54.457 0.15 1 637 76 GLN CB C 30.632 0.15 1 638 76 GLN CG C 33.300 0.15 1 639 76 GLN N N 119.916 0.10 1 640 76 GLN NE2 N 112.014 0.10 1 641 77 SER H H 8.271 0.05 1 642 77 SER HA H 4.663 0.05 1 643 77 SER HB2 H 3.788 0.05 2 644 77 SER HB3 H 3.728 0.05 2 645 77 SER C C 173.721 0.15 1 646 77 SER CA C 58.047 0.15 1 647 77 SER CB C 63.545 0.15 1 648 77 SER N N 115.261 0.10 1 649 78 ILE H H 7.758 0.05 1 650 78 ILE HA H 4.857 0.05 1 651 78 ILE HB H 1.793 0.05 1 652 78 ILE HG2 H 0.836 0.05 1 653 78 ILE HD1 H 0.583 0.05 1 654 78 ILE CA C 55.005 0.15 1 655 78 ILE CB C 40.887 0.15 1 656 78 ILE CG2 C 16.932 0.15 1 657 78 ILE CD1 C 11.691 0.15 1 658 78 ILE N N 124.695 0.10 1 659 79 PRO HA H 4.479 0.05 1 660 79 PRO HB3 H 2.390 0.05 2 661 79 PRO C C 174.570 0.15 1 662 79 PRO CA C 63.785 0.15 1 663 79 PRO CB C 32.873 0.15 1 664 80 ILE H H 8.515 0.05 1 665 80 ILE HA H 4.542 0.05 1 666 80 ILE HB H 1.848 0.05 1 667 80 ILE HG2 H 0.570 0.05 1 668 80 ILE HD1 H 0.752 0.05 1 669 80 ILE C C 175.069 0.15 1 670 80 ILE CA C 60.360 0.15 1 671 80 ILE CB C 37.878 0.15 1 672 80 ILE CG2 C 18.011 0.15 1 673 80 ILE CD1 C 15.276 0.15 1 674 80 ILE N N 122.452 0.10 1 675 81 CYS H H 8.971 0.05 1 676 81 CYS HA H 4.436 0.05 1 677 81 CYS HB2 H 3.188 0.05 2 678 81 CYS HB3 H 2.288 0.05 2 679 81 CYS C C 175.464 0.15 1 680 81 CYS CA C 59.470 0.15 1 681 81 CYS CB C 27.937 0.15 1 682 81 CYS N N 126.438 0.10 1 683 82 GLN H H 7.356 0.05 1 684 82 GLN HA H 4.603 0.05 1 685 82 GLN HB3 H 1.760 0.05 2 686 82 GLN HG2 H 2.017 0.05 2 687 82 GLN HE21 H 7.264 0.05 2 688 82 GLN HE22 H 6.681 0.05 2 689 82 GLN C C 174.049 0.15 1 690 82 GLN CA C 55.691 0.15 1 691 82 GLN CB C 32.175 0.15 1 692 82 GLN CG C 33.952 0.15 1 693 82 GLN N N 113.009 0.10 1 694 82 GLN NE2 N 111.206 0.10 1 695 83 ILE H H 8.425 0.05 1 696 83 ILE HA H 4.878 0.05 1 697 83 ILE HB H 1.634 0.05 1 698 83 ILE HG2 H 0.872 0.05 1 699 83 ILE C C 173.176 0.15 1 700 83 ILE CA C 60.527 0.15 1 701 83 ILE CB C 41.795 0.15 1 702 83 ILE CG1 C 27.937 0.15 1 703 83 ILE CG2 C 17.485 0.15 1 704 83 ILE CD1 C 14.680 0.15 1 705 83 ILE N N 122.714 0.10 1 706 84 SER H H 9.224 0.05 1 707 84 SER HA H 5.593 0.05 1 708 84 SER HB2 H 3.762 0.05 2 709 84 SER HB3 H 3.507 0.05 2 710 84 SER C C 171.801 0.15 1 711 84 SER CA C 56.556 0.15 1 712 84 SER CB C 66.479 0.15 1 713 84 SER N N 123.134 0.10 1 714 85 TYR H H 8.733 0.05 1 715 85 TYR HA H 5.908 0.05 1 716 85 TYR HB2 H 2.595 0.05 2 717 85 TYR HB3 H 2.755 0.05 2 718 85 TYR HD1 H 6.436 0.05 4 719 85 TYR C C 172.106 0.15 1 720 85 TYR CA C 56.094 0.15 1 721 85 TYR CB C 42.681 0.15 1 722 85 TYR N N 117.498 0.10 1 723 86 ILE H H 9.058 0.05 1 724 86 ILE HA H 4.342 0.05 1 725 86 ILE HB H 1.752 0.05 1 726 86 ILE HG2 H 0.979 0.05 1 727 86 ILE C C 172.389 0.15 1 728 86 ILE CA C 61.998 0.15 1 729 86 ILE CB C 42.982 0.15 1 730 86 ILE CG2 C 19.202 0.15 1 731 86 ILE CD1 C 14.404 0.15 1 732 86 ILE N N 118.392 0.10 1 733 87 LEU H H 9.337 0.05 1 734 87 LEU HA H 5.390 0.05 1 735 87 LEU HB2 H 0.976 0.05 2 736 87 LEU HB3 H 2.073 0.05 2 737 87 LEU HG H 1.316 0.05 1 738 87 LEU HD1 H 0.395 0.05 2 739 87 LEU HD2 H 0.754 0.05 2 740 87 LEU C C 173.428 0.15 1 741 87 LEU CA C 53.330 0.15 1 742 87 LEU CB C 46.160 0.15 1 743 87 LEU CD1 C 25.539 0.15 1 744 87 LEU CD2 C 25.094 0.15 1 745 87 LEU N N 130.089 0.10 1 746 88 LYS H H 9.546 0.05 1 747 88 LYS HA H 5.364 0.05 1 748 88 LYS HB3 H 1.704 0.05 2 749 88 LYS HG2 H 1.361 0.05 2 750 88 LYS HD2 H 1.529 0.05 2 751 88 LYS HE2 H 2.782 0.05 2 752 88 LYS C C 174.576 0.15 1 753 88 LYS CA C 54.873 0.15 1 754 88 LYS CB C 37.042 0.15 1 755 88 LYS CG C 24.877 0.15 1 756 88 LYS CD C 29.413 0.15 1 757 88 LYS CE C 41.863 0.15 1 758 88 LYS N N 127.429 0.10 1 759 89 SER H H 8.797 0.05 1 760 89 SER HA H 4.784 0.05 1 761 89 SER HB2 H 3.854 0.05 2 762 89 SER HB3 H 3.499 0.05 2 763 89 SER C C 174.170 0.15 1 764 89 SER CA C 57.694 0.15 1 765 89 SER CB C 65.011 0.15 1 766 89 SER N N 113.607 0.10 1 767 90 ALA H H 9.529 0.05 1 768 90 ALA HA H 4.050 0.05 1 769 90 ALA HB H 1.576 0.05 1 770 90 ALA C C 177.165 0.15 1 771 90 ALA CA C 54.233 0.15 1 772 90 ALA CB C 17.308 0.15 1 773 90 ALA N N 131.882 0.10 1 774 91 THR H H 8.279 0.05 1 775 91 THR HA H 4.152 0.05 1 776 91 THR HB H 4.500 0.05 1 777 91 THR HG2 H 1.179 0.05 1 778 91 THR C C 172.744 0.15 1 779 91 THR CA C 63.174 0.15 1 780 91 THR CB C 69.778 0.15 1 781 91 THR CG2 C 21.887 0.15 1 782 91 THR N N 109.311 0.10 1 783 92 ARG H H 8.202 0.05 1 784 92 ARG HA H 4.601 0.05 1 785 92 ARG HB3 H 1.845 0.05 2 786 92 ARG HG2 H 1.665 0.05 2 787 92 ARG HD2 H 2.969 0.05 2 788 92 ARG C C 174.687 0.15 1 789 92 ARG CA C 55.103 0.15 1 790 92 ARG CB C 32.466 0.15 1 791 92 ARG CG C 26.294 0.15 1 792 92 ARG CD C 43.989 0.15 1 793 92 ARG N N 123.477 0.10 1 794 93 THR H H 9.162 0.05 1 795 93 THR HA H 4.261 0.05 1 796 93 THR HB H 4.011 0.05 1 797 93 THR HG2 H 1.049 0.05 1 798 93 THR C C 172.918 0.15 1 799 93 THR CA C 64.324 0.15 1 800 93 THR CB C 67.918 0.15 1 801 93 THR CG2 C 22.962 0.15 1 802 93 THR N N 122.844 0.10 1 803 94 ILE H H 8.974 0.05 1 804 94 ILE HA H 4.677 0.05 1 805 94 ILE HB H 1.967 0.05 1 806 94 ILE HG2 H 0.795 0.05 1 807 94 ILE HD1 H 0.616 0.05 1 808 94 ILE C C 173.242 0.15 1 809 94 ILE CA C 61.097 0.15 1 810 94 ILE CB C 39.671 0.15 1 811 94 ILE CG2 C 18.070 0.15 1 812 94 ILE CD1 C 13.549 0.15 1 813 94 ILE N N 120.050 0.10 1 814 95 ALA H H 8.057 0.05 1 815 95 ALA HA H 4.717 0.05 1 816 95 ALA HB H 1.628 0.05 1 817 95 ALA C C 173.976 0.15 1 818 95 ALA CA C 52.856 0.15 1 819 95 ALA CB C 23.423 0.15 1 820 95 ALA N N 120.606 0.10 1 821 96 SER H H 8.479 0.05 1 822 96 SER HA H 4.673 0.05 1 823 96 SER HB3 H 3.801 0.05 2 824 96 SER C C 171.183 0.15 1 825 96 SER CA C 57.383 0.15 1 826 96 SER CB C 64.907 0.15 1 827 96 SER N N 114.641 0.10 1 828 97 GLY H H 6.967 0.05 1 829 97 GLY HA2 H 3.877 0.05 2 830 97 GLY C C 168.847 0.15 1 831 97 GLY CA C 45.819 0.15 1 832 97 GLY N N 106.635 0.10 1 833 98 THR H H 8.101 0.05 1 834 98 THR HA H 5.208 0.05 1 835 98 THR HB H 3.790 0.05 1 836 98 THR HG2 H 0.982 0.05 1 837 98 THR C C 172.609 0.15 1 838 98 THR CA C 60.491 0.15 1 839 98 THR CB C 72.090 0.15 1 840 98 THR CG2 C 21.969 0.15 1 841 98 THR N N 110.571 0.10 1 842 99 ILE H H 9.507 0.05 1 843 99 ILE HA H 4.681 0.05 1 844 99 ILE HB H 1.616 0.05 1 845 99 ILE HG2 H 0.990 0.05 1 846 99 ILE HD1 H 1.020 0.05 1 847 99 ILE CA C 58.145 0.15 1 848 99 ILE CB C 40.944 0.15 1 849 99 ILE CG2 C 17.725 0.15 1 850 99 ILE CD1 C 14.710 0.15 1 851 99 ILE N N 126.371 0.10 1 852 100 PRO HA H 4.678 0.05 1 853 100 PRO HB2 H 2.016 0.05 2 854 100 PRO HB3 H 2.250 0.05 2 855 100 PRO HG2 H 1.771 0.05 2 856 100 PRO C C 174.469 0.15 1 857 100 PRO CA C 62.253 0.15 1 858 100 PRO CB C 32.622 0.15 1 859 100 PRO CG C 26.558 0.15 1 860 101 ASP H H 8.077 0.05 1 861 101 ASP HB2 H 2.802 0.05 2 862 101 ASP CA C 54.456 0.15 1 863 101 ASP CB C 41.793 0.15 1 864 101 ASP N N 116.747 0.10 1 865 102 PRO HA H 4.463 0.05 1 866 102 PRO HB2 H 1.918 0.05 2 867 102 PRO HB3 H 2.014 0.05 2 868 102 PRO HG2 H 1.658 0.05 2 869 102 PRO C C 175.506 0.15 1 870 102 PRO CA C 64.339 0.15 1 871 102 PRO CB C 31.772 0.15 1 872 102 PRO CG C 27.468 0.15 1 873 103 GLY H H 7.577 0.05 1 874 103 GLY HA2 H 4.467 0.05 2 875 103 GLY HA3 H 3.849 0.05 2 876 103 GLY C C 170.388 0.15 1 877 103 GLY CA C 44.916 0.15 1 878 103 GLY N N 106.109 0.10 1 879 104 SER H H 8.279 0.05 1 880 104 SER HA H 5.211 0.05 1 881 104 SER HB2 H 3.624 0.05 2 882 104 SER HB3 H 3.491 0.05 2 883 104 SER C C 172.413 0.15 1 884 104 SER CA C 57.172 0.15 1 885 104 SER CB C 66.410 0.15 1 886 104 SER N N 114.419 0.10 1 887 105 LEU H H 9.408 0.05 1 888 105 LEU HA H 4.767 0.05 1 889 105 LEU HB2 H 1.818 0.05 2 890 105 LEU HD1 H 0.416 0.05 2 891 105 LEU C C 176.753 0.15 1 892 105 LEU CA C 52.846 0.15 1 893 105 LEU CB C 42.123 0.15 1 894 105 LEU CD1 C 25.797 0.15 1 895 105 LEU N N 120.985 0.10 1 896 106 VAL H H 7.628 0.05 1 897 106 VAL HA H 4.032 0.05 1 898 106 VAL HB H 2.054 0.05 1 899 106 VAL HG2 H 0.937 0.05 1 900 106 VAL C C 177.052 0.15 1 901 106 VAL CA C 61.910 0.15 1 902 106 VAL CB C 32.084 0.15 1 903 106 VAL CG2 C 20.643 0.15 1 904 106 VAL N N 120.611 0.10 1 905 107 GLY H H 8.858 0.05 1 906 107 GLY HA2 H 3.395 0.05 2 907 107 GLY HA3 H 3.716 0.05 2 908 107 GLY C C 173.205 0.15 1 909 107 GLY CA C 46.098 0.15 1 910 107 GLY N N 114.867 0.10 1 911 108 SER H H 8.888 0.05 1 912 108 SER HA H 3.955 0.05 1 913 108 SER HB2 H 3.772 0.05 2 914 108 SER C C 172.996 0.15 1 915 108 SER CA C 58.867 0.15 1 916 108 SER CB C 61.900 0.15 1 917 108 SER N N 116.517 0.10 1 918 109 GLY H H 7.117 0.05 1 919 109 GLY HA2 H 3.842 0.05 2 920 109 GLY HA3 H 4.482 0.05 2 921 109 GLY C C 172.449 0.15 1 922 109 GLY CA C 45.233 0.15 1 923 109 GLY N N 104.464 0.10 1 924 110 THR H H 8.967 0.05 1 925 110 THR HA H 3.914 0.05 1 926 110 THR HB H 3.913 0.05 1 927 110 THR HG2 H 1.011 0.05 1 928 110 THR C C 172.724 0.15 1 929 110 THR CA C 62.117 0.15 1 930 110 THR CB C 70.292 0.15 1 931 110 THR CG2 C 21.919 0.15 1 932 110 THR N N 121.785 0.10 1 933 111 THR H H 9.264 0.05 1 934 111 THR HA H 4.480 0.05 1 935 111 THR HB H 3.895 0.05 1 936 111 THR HG2 H 1.300 0.05 1 937 111 THR C C 171.324 0.15 1 938 111 THR CA C 62.568 0.15 1 939 111 THR CB C 71.452 0.15 1 940 111 THR CG2 C 21.090 0.15 1 941 111 THR N N 126.164 0.10 1 942 112 VAL H H 8.891 0.05 1 943 112 VAL HA H 4.760 0.05 1 944 112 VAL HB H 1.921 0.05 1 945 112 VAL HG1 H 0.919 0.05 2 946 112 VAL HG2 H 0.804 0.05 2 947 112 VAL C C 174.426 0.15 1 948 112 VAL CA C 61.792 0.15 1 949 112 VAL CB C 32.211 0.15 1 950 112 VAL CG1 C 20.960 0.15 1 951 112 VAL CG2 C 21.555 0.15 1 952 112 VAL N N 128.039 0.10 1 953 113 LEU H H 9.635 0.05 1 954 113 LEU HA H 4.637 0.05 1 955 113 LEU HB2 H 1.639 0.05 2 956 113 LEU HB3 H 1.286 0.05 2 957 113 LEU HG H 0.736 0.05 1 958 113 LEU HD1 H 0.749 0.05 2 959 113 LEU C C 173.662 0.15 1 960 113 LEU CA C 53.239 0.15 1 961 113 LEU CB C 43.943 0.15 1 962 113 LEU CG C 26.388 0.15 1 963 113 LEU CD1 C 23.483 0.15 1 964 113 LEU N N 129.738 0.10 1 965 114 ASP H H 8.539 0.05 1 966 114 ASP HA H 5.112 0.05 1 967 114 ASP HB2 H 2.454 0.05 2 968 114 ASP HB3 H 2.544 0.05 2 969 114 ASP C C 174.076 0.15 1 970 114 ASP CA C 53.290 0.15 1 971 114 ASP CB C 42.833 0.15 1 972 114 ASP N N 122.916 0.10 1 973 115 VAL H H 9.077 0.05 1 974 115 VAL HA H 4.268 0.05 1 975 115 VAL HB H 2.028 0.05 1 976 115 VAL HG1 H 0.757 0.05 2 977 115 VAL HG2 H 0.465 0.05 2 978 115 VAL CA C 59.572 0.15 1 979 115 VAL CB C 33.512 0.15 1 980 115 VAL CG1 C 21.043 0.15 1 981 115 VAL CG2 C 20.310 0.15 1 982 115 VAL N N 125.988 0.10 1 983 116 PRO HA H 4.337 0.05 1 984 116 PRO HB2 H 1.832 0.05 2 985 116 PRO C C 174.178 0.15 1 986 116 PRO CA C 62.174 0.15 1 987 116 PRO CB C 31.871 0.15 1 988 116 PRO CG C 27.094 0.15 1 989 117 VAL H H 8.403 0.05 1 990 117 VAL HA H 3.588 0.05 1 991 117 VAL HB H 1.477 0.05 1 992 117 VAL HG1 H -0.003 0.05 2 993 117 VAL HG2 H 0.427 0.05 2 994 117 VAL C C 172.486 0.15 1 995 117 VAL CA C 61.276 0.15 1 996 117 VAL CB C 34.480 0.15 1 997 117 VAL CG1 C 18.904 0.15 1 998 117 VAL CG2 C 21.604 0.15 1 999 117 VAL N N 124.247 0.10 1 1000 118 LYS H H 7.555 0.05 1 1001 118 LYS HA H 5.184 0.05 1 1002 118 LYS HB3 H 1.696 0.05 2 1003 118 LYS HG2 H 1.164 0.05 2 1004 118 LYS HG3 H 1.259 0.05 2 1005 118 LYS HD2 H 1.496 0.05 2 1006 118 LYS HE2 H 2.862 0.05 2 1007 118 LYS C C 174.840 0.15 1 1008 118 LYS CA C 54.876 0.15 1 1009 118 LYS CB C 34.156 0.15 1 1010 118 LYS CG C 23.919 0.15 1 1011 118 LYS CD C 28.601 0.15 1 1012 118 LYS CE C 41.875 0.15 1 1013 118 LYS N N 127.073 0.10 1 1014 119 VAL H H 9.330 0.05 1 1015 119 VAL HA H 4.456 0.05 1 1016 119 VAL HB H 2.098 0.05 1 1017 119 VAL HG1 H 0.998 0.05 2 1018 119 VAL HG2 H 0.815 0.05 2 1019 119 VAL C C 174.195 0.15 1 1020 119 VAL CA C 60.879 0.15 1 1021 119 VAL CB C 33.169 0.15 1 1022 119 VAL CG2 C 21.179 0.15 1 1023 119 VAL N N 128.000 0.10 1 1024 120 ALA H H 9.559 0.05 1 1025 120 ALA HA H 4.330 0.05 1 1026 120 ALA HB H 1.582 0.05 1 1027 120 ALA C C 176.803 0.15 1 1028 120 ALA CA C 53.194 0.15 1 1029 120 ALA CB C 18.628 0.15 1 1030 120 ALA N N 131.752 0.10 1 1031 121 TYR H H 8.262 0.05 1 1032 121 TYR HA H 3.799 0.05 1 1033 121 TYR HB2 H 2.975 0.05 2 1034 121 TYR HB3 H 2.748 0.05 2 1035 121 TYR HD1 H 6.836 0.05 4 1036 121 TYR C C 175.151 0.15 1 1037 121 TYR CA C 63.117 0.15 1 1038 121 TYR CB C 39.107 0.15 1 1039 121 TYR N N 124.314 0.10 1 1040 122 SER H H 9.162 0.05 1 1041 122 SER HA H 4.098 0.05 1 1042 122 SER HB2 H 3.901 0.05 2 1043 122 SER C C 175.775 0.15 1 1044 122 SER CA C 61.427 0.15 1 1045 122 SER CB C 61.950 0.15 1 1046 122 SER N N 111.919 0.10 1 1047 123 ILE H H 6.921 0.05 1 1048 123 ILE HA H 3.847 0.05 1 1049 123 ILE HB H 2.067 0.05 1 1050 123 ILE HG12 H 1.138 0.05 2 1051 123 ILE HG2 H 0.986 0.05 1 1052 123 ILE HD1 H 0.945 0.05 1 1053 123 ILE C C 177.313 0.15 1 1054 123 ILE CA C 63.893 0.15 1 1055 123 ILE CB C 37.740 0.15 1 1056 123 ILE CG2 C 16.648 0.15 1 1057 123 ILE CD1 C 12.849 0.15 1 1058 123 ILE N N 124.121 0.10 1 1059 124 ALA H H 8.489 0.05 1 1060 124 ALA HA H 3.858 0.05 1 1061 124 ALA HB H 1.393 0.05 1 1062 124 ALA C C 177.970 0.15 1 1063 124 ALA CA C 56.216 0.15 1 1064 124 ALA CB C 17.564 0.15 1 1065 124 ALA N N 124.707 0.10 1 1066 125 VAL H H 8.252 0.05 1 1067 125 VAL HA H 3.484 0.05 1 1068 125 VAL HB H 1.857 0.05 1 1069 125 VAL HG1 H 0.784 0.05 2 1070 125 VAL HG2 H 0.701 0.05 2 1071 125 VAL C C 177.380 0.15 1 1072 125 VAL CA C 66.269 0.15 1 1073 125 VAL CB C 31.720 0.15 1 1074 125 VAL CG1 C 21.504 0.15 1 1075 125 VAL CG2 C 23.009 0.15 1 1076 125 VAL N N 114.252 0.10 1 1077 126 SER H H 7.259 0.05 1 1078 126 SER HA H 4.268 0.05 1 1079 126 SER HB3 H 4.070 0.05 2 1080 126 SER C C 174.221 0.15 1 1081 126 SER CA C 60.657 0.15 1 1082 126 SER CB C 63.535 0.15 1 1083 126 SER N N 114.979 0.10 1 1084 127 LEU H H 7.562 0.05 1 1085 127 LEU HA H 4.226 0.05 1 1086 127 LEU HB2 H 1.958 0.05 2 1087 127 LEU HB3 H 1.535 0.05 2 1088 127 LEU HG H 0.861 0.05 1 1089 127 LEU HD2 H 0.860 0.05 2 1090 127 LEU C C 176.074 0.15 1 1091 127 LEU CA C 55.683 0.15 1 1092 127 LEU CB C 43.768 0.15 1 1093 127 LEU CG C 26.280 0.15 1 1094 127 LEU CD2 C 23.127 0.15 1 1095 127 LEU N N 122.105 0.10 1 1096 128 MET H H 7.260 0.05 1 1097 128 MET HA H 3.851 0.05 1 1098 128 MET HB2 H 1.770 0.05 2 1099 128 MET HG2 H 2.458 0.05 2 1100 128 MET HE H 1.870 0.05 1 1101 128 MET C C 174.903 0.15 1 1102 128 MET CA C 55.843 0.15 1 1103 128 MET CB C 34.710 0.15 1 1104 128 MET CG C 32.689 0.15 1 1105 128 MET CE C 17.649 0.15 1 1106 128 MET N N 117.213 0.10 1 1107 129 LYS H H 6.420 0.05 1 1108 129 LYS HA H 3.759 0.05 1 1109 129 LYS HB2 H 1.155 0.05 2 1110 129 LYS HB3 H 0.871 0.05 2 1111 129 LYS HG2 H 1.099 0.05 2 1112 129 LYS HD2 H 1.402 0.05 2 1113 129 LYS HD3 H 1.492 0.05 2 1114 129 LYS HE2 H 2.772 0.05 2 1115 129 LYS C C 175.283 0.15 1 1116 129 LYS CA C 57.987 0.15 1 1117 129 LYS CB C 31.456 0.15 1 1118 129 LYS CG C 24.608 0.15 1 1119 129 LYS CD C 28.906 0.15 1 1120 129 LYS CE C 40.439 0.15 1 1121 129 LYS N N 121.949 0.10 1 1122 130 ASP H H 7.738 0.05 1 1123 130 ASP HA H 4.616 0.05 1 1124 130 ASP HB3 H 2.656 0.05 2 1125 130 ASP C C 175.169 0.15 1 1126 130 ASP CA C 53.752 0.15 1 1127 130 ASP CB C 42.952 0.15 1 1128 130 ASP N N 117.085 0.10 1 1129 131 MET H H 8.606 0.05 1 1130 131 MET HA H 4.577 0.05 1 1131 131 MET HB2 H 2.102 0.05 2 1132 131 MET HG2 H 2.494 0.05 2 1133 131 MET HE H 2.145 0.05 1 1134 131 MET C C 174.701 0.15 1 1135 131 MET CA C 57.270 0.15 1 1136 131 MET CB C 33.166 0.15 1 1137 131 MET CG C 32.086 0.15 1 1138 131 MET CE C 18.722 0.15 1 1139 131 MET N N 121.685 0.10 1 1140 132 CYS H H 8.410 0.05 1 1141 132 CYS HA H 4.503 0.05 1 1142 132 CYS HB2 H 3.021 0.05 1 1143 132 CYS C C 173.065 0.15 1 1144 132 CYS CA C 59.347 0.15 1 1145 132 CYS CB C 27.963 0.15 1 1146 132 CYS N N 116.025 0.10 1 1147 133 THR H H 7.839 0.05 1 1148 133 THR HA H 4.495 0.05 1 1149 133 THR HB H 4.067 0.05 1 1150 133 THR HG2 H 1.170 0.05 1 1151 133 THR C C 170.460 0.15 1 1152 133 THR CA C 61.218 0.15 1 1153 133 THR CB C 70.995 0.15 1 1154 133 THR CG2 C 21.527 0.15 1 1155 133 THR N N 116.137 0.10 1 1156 134 ASP H H 8.006 0.05 1 1157 134 ASP HA H 4.732 0.05 1 1158 134 ASP HB2 H 2.487 0.05 2 1159 134 ASP HB3 H 2.141 0.05 2 1160 134 ASP C C 175.019 0.15 1 1161 134 ASP CA C 54.353 0.15 1 1162 134 ASP CB C 41.793 0.15 1 1163 134 ASP N N 120.597 0.10 1 1164 135 TRP H H 8.767 0.05 1 1165 135 TRP HA H 4.915 0.05 1 1166 135 TRP HB3 H 3.249 0.05 2 1167 135 TRP HD1 H 7.503 0.05 4 1168 135 TRP HE1 H 10.052 0.05 4 1169 135 TRP HE3 H 7.734 0.05 4 1170 135 TRP HZ2 H 7.154 0.05 4 1171 135 TRP HH2 H 7.304 0.05 2 1172 135 TRP C C 172.841 0.15 1 1173 135 TRP CA C 56.324 0.15 1 1174 135 TRP CB C 33.545 0.15 1 1175 135 TRP N N 121.931 0.10 1 1176 135 TRP NE1 N 129.320 0.10 1 1177 136 ASP H H 7.772 0.05 1 1178 136 ASP HA H 5.294 0.05 1 1179 136 ASP HB3 H 2.247 0.05 1 1180 136 ASP C C 174.511 0.15 1 1181 136 ASP CA C 53.851 0.15 1 1182 136 ASP CB C 42.203 0.15 1 1183 136 ASP N N 124.739 0.10 1 1184 137 ILE H H 9.113 0.05 1 1185 137 ILE HA H 4.629 0.05 1 1186 137 ILE HB H 1.917 0.05 1 1187 137 ILE HG2 H 0.882 0.05 1 1188 137 ILE HD1 H 0.775 0.05 1 1189 137 ILE C C 173.465 0.15 1 1190 137 ILE CA C 59.495 0.15 1 1191 137 ILE CB C 41.677 0.15 1 1192 137 ILE CG1 C 26.185 0.15 1 1193 137 ILE CG2 C 18.544 0.15 1 1194 137 ILE CD1 C 13.590 0.15 1 1195 137 ILE N N 116.879 0.10 1 1196 138 ASP H H 8.248 0.05 1 1197 138 ASP HA H 5.118 0.05 1 1198 138 ASP HB3 H 2.639 0.05 2 1199 138 ASP C C 174.389 0.15 1 1200 138 ASP CA C 53.735 0.15 1 1201 138 ASP CB C 42.173 0.15 1 1202 138 ASP N N 121.220 0.10 1 1203 139 TYR H H 8.684 0.05 1 1204 139 TYR HA H 5.885 0.05 1 1205 139 TYR HB2 H 2.763 0.05 2 1206 139 TYR HB3 H 2.953 0.05 2 1207 139 TYR HD1 H 6.547 0.05 4 1208 139 TYR HE1 H 6.408 0.05 4 1209 139 TYR C C 173.070 0.15 1 1210 139 TYR CA C 56.457 0.15 1 1211 139 TYR CB C 42.151 0.15 1 1212 139 TYR N N 118.177 0.10 1 1213 140 GLN H H 8.815 0.05 1 1214 140 GLN HA H 4.665 0.05 1 1215 140 GLN HB3 H 1.954 0.05 2 1216 140 GLN HG2 H 2.255 0.05 2 1217 140 GLN HE21 H 8.060 0.05 2 1218 140 GLN HE22 H 6.760 0.05 2 1219 140 GLN C C 172.450 0.15 1 1220 140 GLN CA C 55.570 0.15 1 1221 140 GLN CB C 32.035 0.15 1 1222 140 GLN CG C 33.599 0.15 1 1223 140 GLN N N 120.517 0.10 1 1224 140 GLN NE2 N 114.045 0.10 1 1225 141 LEU H H 9.011 0.05 1 1226 141 LEU HA H 5.465 0.05 1 1227 141 LEU HB3 H 1.271 0.05 2 1228 141 LEU HG H 0.595 0.05 1 1229 141 LEU HD2 H 0.787 0.05 2 1230 141 LEU C C 171.834 0.15 1 1231 141 LEU CA C 53.428 0.15 1 1232 141 LEU CB C 45.442 0.15 1 1233 141 LEU CG C 27.535 0.15 1 1234 141 LEU CD2 C 22.874 0.15 1 1235 141 LEU N N 129.073 0.10 1 1236 142 ASP H H 9.005 0.05 1 1237 142 ASP HA H 5.445 0.05 1 1238 142 ASP HB3 H 2.484 0.05 2 1239 142 ASP C C 173.457 0.15 1 1240 142 ASP CA C 53.324 0.15 1 1241 142 ASP CB C 43.776 0.15 1 1242 142 ASP N N 127.276 0.10 1 1243 143 ILE H H 9.211 0.05 1 1244 143 ILE HA H 5.150 0.05 1 1245 143 ILE HB H 1.612 0.05 1 1246 143 ILE HG12 H 1.453 0.05 2 1247 143 ILE HG13 H 0.928 0.05 2 1248 143 ILE HG2 H 0.794 0.05 1 1249 143 ILE HD1 H 0.568 0.05 1 1250 143 ILE C C 173.526 0.15 1 1251 143 ILE CA C 58.698 0.15 1 1252 143 ILE CB C 42.171 0.15 1 1253 143 ILE CG1 C 28.002 0.15 1 1254 143 ILE CG2 C 17.688 0.15 1 1255 143 ILE CD1 C 13.867 0.15 1 1256 143 ILE N N 121.472 0.10 1 1257 144 GLY H H 9.214 0.05 1 1258 144 GLY HA2 H 2.965 0.05 2 1259 144 GLY HA3 H 4.766 0.05 2 1260 144 GLY C C 171.850 0.15 1 1261 144 GLY CA C 44.457 0.15 1 1262 144 GLY N N 111.999 0.10 1 1263 145 LEU H H 8.525 0.05 1 1264 145 LEU HA H 4.623 0.05 1 1265 145 LEU HB2 H 0.811 0.05 2 1266 145 LEU HG H 0.839 0.05 1 1267 145 LEU HD2 H 0.733 0.05 2 1268 145 LEU C C 172.545 0.15 1 1269 145 LEU CA C 53.991 0.15 1 1270 145 LEU CB C 44.505 0.15 1 1271 145 LEU CG C 27.479 0.15 1 1272 145 LEU N N 127.494 0.10 1 1273 146 THR H H 8.384 0.05 1 1274 146 THR HA H 5.307 0.05 1 1275 146 THR HB H 3.661 0.05 1 1276 146 THR HG2 H 1.045 0.05 1 1277 146 THR C C 172.094 0.15 1 1278 146 THR CA C 61.628 0.15 1 1279 146 THR CB C 69.775 0.15 1 1280 146 THR CG2 C 21.775 0.15 1 1281 146 THR N N 121.163 0.10 1 1282 147 PHE H H 9.276 0.05 1 1283 147 PHE HA H 5.506 0.05 1 1284 147 PHE HB2 H 3.123 0.05 2 1285 147 PHE HB3 H 2.610 0.05 2 1286 147 PHE HD1 H 7.137 0.05 2 1287 147 PHE HE1 H 6.905 0.05 2 1288 147 PHE C C 172.152 0.15 1 1289 147 PHE CA C 55.501 0.15 1 1290 147 PHE CB C 43.658 0.15 1 1291 147 PHE N N 126.074 0.10 1 1292 148 ASP H H 7.648 0.05 1 1293 148 ASP HA H 4.835 0.05 1 1294 148 ASP HB2 H 2.640 0.05 2 1295 148 ASP HB3 H 2.327 0.05 2 1296 148 ASP C C 174.567 0.15 1 1297 148 ASP CA C 52.841 0.15 1 1298 148 ASP CB C 41.440 0.15 1 1299 148 ASP N N 120.510 0.10 1 1300 149 ILE H H 8.207 0.05 1 1301 149 ILE HA H 4.457 0.05 1 1302 149 ILE HB H 1.984 0.05 1 1303 149 ILE HG2 H 0.912 0.05 1 1304 149 ILE HD1 H 0.889 0.05 1 1305 149 ILE CA C 57.136 0.15 1 1306 149 ILE CB C 37.879 0.15 1 1307 149 ILE CD1 C 12.820 0.15 1 1308 149 ILE N N 122.135 0.10 1 1309 150 PRO HA H 4.159 0.05 1 1310 150 PRO HB2 H 2.290 0.05 2 1311 150 PRO HB3 H 1.790 0.05 2 1312 150 PRO C C 176.720 0.15 1 1313 150 PRO CA C 64.312 0.15 1 1314 150 PRO CB C 31.622 0.15 1 1315 150 PRO CG C 27.344 0.15 1 1316 151 VAL H H 8.964 0.05 1 1317 151 VAL HA H 3.217 0.05 1 1318 151 VAL HB H 2.786 0.05 1 1319 151 VAL HG1 H 0.939 0.05 1 1320 151 VAL C C 177.061 0.15 1 1321 151 VAL CA C 69.094 0.15 1 1322 151 VAL CB C 30.432 0.15 1 1323 151 VAL CG1 C 21.617 0.15 1 1324 151 VAL N N 120.242 0.10 1 1325 152 VAL H H 8.847 0.05 1 1326 152 VAL HA H 3.925 0.05 1 1327 152 VAL HB H 1.932 0.05 1 1328 152 VAL HG1 H 0.974 0.05 2 1329 152 VAL HG2 H 1.033 0.05 2 1330 152 VAL C C 175.729 0.15 1 1331 152 VAL CA C 63.705 0.15 1 1332 152 VAL CB C 33.129 0.15 1 1333 152 VAL CG1 C 21.764 0.15 1 1334 152 VAL CG2 C 21.523 0.15 1 1335 152 VAL N N 120.447 0.10 1 1336 153 GLY H H 8.179 0.05 1 1337 153 GLY HA2 H 4.184 0.05 2 1338 153 GLY HA3 H 3.889 0.05 2 1339 153 GLY C C 172.475 0.15 1 1340 153 GLY CA C 44.918 0.15 1 1341 153 GLY N N 110.854 0.10 1 1342 154 ASP H H 8.183 0.05 1 1343 154 ASP HA H 5.197 0.05 1 1344 154 ASP HB2 H 2.411 0.05 2 1345 154 ASP HB3 H 2.289 0.05 2 1346 154 ASP C C 176.288 0.15 1 1347 154 ASP CA C 54.540 0.15 1 1348 154 ASP CB C 40.470 0.15 1 1349 154 ASP N N 122.562 0.10 1 1350 155 ILE H H 9.076 0.05 1 1351 155 ILE HA H 4.488 0.05 1 1352 155 ILE HB H 1.853 0.05 1 1353 155 ILE HG12 H 1.345 0.05 2 1354 155 ILE HG2 H 1.010 0.05 1 1355 155 ILE HD1 H 0.997 0.05 1 1356 155 ILE C C 173.071 0.15 1 1357 155 ILE CA C 59.143 0.15 1 1358 155 ILE CB C 42.419 0.15 1 1359 155 ILE CG1 C 26.970 0.15 1 1360 155 ILE CG2 C 18.867 0.15 1 1361 155 ILE CD1 C 14.882 0.15 1 1362 155 ILE N N 120.831 0.10 1 1363 156 THR H H 8.570 0.05 1 1364 156 THR HA H 5.237 0.05 1 1365 156 THR HB H 3.778 0.05 1 1366 156 THR HG2 H 0.696 0.05 1 1367 156 THR C C 171.816 0.15 1 1368 156 THR CA C 61.618 0.15 1 1369 156 THR CB C 69.978 0.15 1 1370 156 THR CG2 C 20.305 0.15 1 1371 156 THR N N 121.131 0.10 1 1372 157 ILE H H 9.334 0.05 1 1373 157 ILE HA H 4.868 0.05 1 1374 157 ILE HB H 2.237 0.05 1 1375 157 ILE HG12 H 1.771 0.05 2 1376 157 ILE HG2 H 1.007 0.05 1 1377 157 ILE HD1 H 1.109 0.05 1 1378 157 ILE CA C 55.275 0.15 1 1379 157 ILE CB C 39.045 0.15 1 1380 157 ILE CG2 C 16.655 0.15 1 1381 157 ILE CD1 C 11.688 0.15 1 1382 157 ILE N N 127.798 0.10 1 1383 158 PRO HA H 5.463 0.05 1 1384 158 PRO HB2 H 2.122 0.05 2 1385 158 PRO HB3 H 1.926 0.05 2 1386 158 PRO HG2 H 2.279 0.05 2 1387 158 PRO HG3 H 1.810 0.05 2 1388 158 PRO C C 175.029 0.15 1 1389 158 PRO CA C 60.667 0.15 1 1390 158 PRO CB C 32.279 0.15 1 1391 158 PRO CG C 26.807 0.15 1 1392 159 VAL H H 9.306 0.05 1 1393 159 VAL HA H 4.529 0.05 1 1394 159 VAL HB H 1.969 0.05 1 1395 159 VAL HG2 H 0.831 0.05 1 1396 159 VAL C C 172.753 0.15 1 1397 159 VAL CA C 60.874 0.15 1 1398 159 VAL CB C 35.123 0.15 1 1399 159 VAL CG2 C 21.621 0.15 1 1400 159 VAL N N 121.633 0.10 1 1401 160 SER H H 8.618 0.05 1 1402 160 SER HA H 5.864 0.05 1 1403 160 SER HB2 H 3.682 0.05 2 1404 160 SER HB3 H 3.835 0.05 2 1405 160 SER C C 172.819 0.15 1 1406 160 SER CA C 57.190 0.15 1 1407 160 SER CB C 66.517 0.15 1 1408 160 SER N N 120.198 0.10 1 1409 161 THR H H 8.917 0.05 1 1410 161 THR HA H 4.134 0.05 1 1411 161 THR HB H 4.164 0.05 1 1412 161 THR HG2 H 1.232 0.05 1 1413 161 THR C C 170.025 0.15 1 1414 161 THR CA C 60.799 0.15 1 1415 161 THR CB C 69.783 0.15 1 1416 161 THR CG2 C 20.098 0.15 1 1417 161 THR N N 117.007 0.10 1 1418 162 GLN H H 8.058 0.05 1 1419 162 GLN HA H 4.639 0.05 1 1420 162 GLN HB2 H 2.048 0.05 2 1421 162 GLN HB3 H 2.147 0.05 2 1422 162 GLN HG2 H 2.233 0.05 2 1423 162 GLN HE21 H 7.493 0.05 2 1424 162 GLN HE22 H 6.735 0.05 2 1425 162 GLN C C 172.608 0.15 1 1426 162 GLN CA C 54.114 0.15 1 1427 162 GLN CB C 32.041 0.15 1 1428 162 GLN CG C 32.899 0.15 1 1429 162 GLN N N 120.437 0.10 1 1430 162 GLN NE2 N 111.795 0.10 1 1431 163 GLY H H 6.793 0.05 1 1432 163 GLY HA2 H 3.878 0.05 2 1433 163 GLY C C 170.495 0.15 1 1434 163 GLY CA C 46.333 0.15 1 1435 163 GLY N N 107.255 0.10 1 1436 164 GLU H H 8.632 0.05 1 1437 164 GLU HA H 5.613 0.05 1 1438 164 GLU HB3 H 1.848 0.05 1 1439 164 GLU HG2 H 2.128 0.05 1 1440 164 GLU C C 174.460 0.15 1 1441 164 GLU CA C 55.144 0.15 1 1442 164 GLU CB C 33.660 0.15 1 1443 164 GLU CG C 36.336 0.15 1 1444 164 GLU N N 124.225 0.10 1 1445 165 ILE H H 9.137 0.05 1 1446 165 ILE HA H 4.648 0.05 1 1447 165 ILE HB H 1.580 0.05 1 1448 165 ILE HG12 H 0.800 0.05 2 1449 165 ILE HG13 H 1.341 0.05 2 1450 165 ILE HG2 H 0.375 0.05 1 1451 165 ILE HD1 H -0.110 0.05 1 1452 165 ILE C C 171.961 0.15 1 1453 165 ILE CA C 59.931 0.15 1 1454 165 ILE CB C 42.501 0.15 1 1455 165 ILE CG1 C 26.316 0.15 1 1456 165 ILE CG2 C 17.205 0.15 1 1457 165 ILE CD1 C 11.957 0.15 1 1458 165 ILE N N 119.507 0.10 1 1459 166 LYS H H 8.239 0.05 1 1460 166 LYS HA H 4.767 0.05 1 1461 166 LYS HB2 H 1.633 0.05 1 1462 166 LYS HE2 H 2.864 0.05 2 1463 166 LYS C C 176.329 0.15 1 1464 166 LYS CA C 55.427 0.15 1 1465 166 LYS CB C 33.303 0.15 1 1466 166 LYS CG C 23.467 0.15 1 1467 166 LYS N N 122.634 0.10 1 1468 167 LEU H H 9.432 0.05 1 1469 167 LEU HA H 4.777 0.05 1 1470 167 LEU HB2 H 1.878 0.05 2 1471 167 LEU HB3 H 1.751 0.05 2 1472 167 LEU HD1 H 1.002 0.05 2 1473 167 LEU CA C 51.766 0.15 1 1474 167 LEU CB C 41.938 0.15 1 1475 167 LEU N N 132.168 0.10 1 1476 168 PRO HA H 4.257 0.05 1 1477 168 PRO HB2 H 1.868 0.05 2 1478 168 PRO HG2 H 1.643 0.05 2 1479 168 PRO C C 173.725 0.15 1 1480 168 PRO CA C 61.408 0.15 1 1481 168 PRO CB C 32.017 0.15 1 1482 168 PRO CG C 26.836 0.15 1 1483 169 SER H H 8.181 0.05 1 1484 169 SER HA H 3.909 0.05 1 1485 169 SER HB2 H 3.684 0.05 1 1486 169 SER C C 175.442 0.15 1 1487 169 SER CA C 58.606 0.15 1 1488 169 SER CB C 63.996 0.15 1 1489 169 SER N N 109.040 0.10 1 1490 170 LEU H H 8.436 0.05 1 1491 170 LEU HA H 4.726 0.05 1 1492 170 LEU HB2 H 1.920 0.05 2 1493 170 LEU HB3 H 1.721 0.05 2 1494 170 LEU HG H 0.738 0.05 1 1495 170 LEU HD1 H 0.756 0.05 2 1496 170 LEU C C 176.335 0.15 1 1497 170 LEU CA C 54.397 0.15 1 1498 170 LEU CB C 41.802 0.15 1 1499 170 LEU CG C 26.356 0.15 1 1500 170 LEU CD1 C 23.510 0.15 1 1501 170 LEU N N 127.412 0.10 1 1502 171 ARG H H 7.816 0.05 1 1503 171 ARG HA H 3.954 0.05 1 1504 171 ARG HB2 H 1.740 0.05 1 1505 171 ARG HG2 H 1.602 0.05 2 1506 171 ARG HD2 H 3.178 0.05 2 1507 171 ARG C C 175.775 0.15 1 1508 171 ARG CA C 58.460 0.15 1 1509 171 ARG CB C 30.665 0.15 1 1510 171 ARG CG C 26.544 0.15 1 1511 171 ARG CD C 43.471 0.15 1 1512 171 ARG N N 119.755 0.10 1 1513 172 ASP H H 8.504 0.05 1 1514 172 ASP HA H 4.456 0.05 1 1515 172 ASP HB2 H 2.071 0.05 2 1516 172 ASP HB3 H 2.398 0.05 2 1517 172 ASP C C 174.970 0.15 1 1518 172 ASP CA C 55.462 0.15 1 1519 172 ASP CB C 40.157 0.15 1 1520 172 ASP N N 117.602 0.10 1 1521 173 PHE H H 7.876 0.05 1 1522 173 PHE HA H 4.474 0.05 1 1523 173 PHE HB2 H 2.938 0.05 2 1524 173 PHE HB3 H 3.144 0.05 2 1525 173 PHE HD1 H 7.138 0.05 4 1526 173 PHE C C 173.402 0.15 1 1527 173 PHE CA C 58.144 0.15 1 1528 173 PHE CB C 40.009 0.15 1 1529 173 PHE N N 118.482 0.10 1 1530 174 PHE H H 7.443 0.05 1 1531 174 PHE HA H 4.407 0.05 1 1532 174 PHE HB2 H 3.146 0.05 2 1533 174 PHE HB3 H 2.938 0.05 2 1534 174 PHE HD1 H 7.250 0.05 4 1535 174 PHE CA C 59.407 0.15 1 1536 174 PHE CB C 40.445 0.15 1 1537 174 PHE N N 125.338 0.10 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 289 298 493 597 693 804 1173 1319,1320,1321,1322 1363,1364 1723 1732 stop_ save_