data_6339 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of AT1g01470 from Arabidopsis Thaliana ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Singh Shanteri . . stop_ _BMRB_accession_number 6339 _BMRB_flat_file_name bmr6339.str _Entry_type new _Submission_date 2004-10-06 _Accession_date 2004-10-06 _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' 755 '15N chemical shifts' 146 '13C chemical shifts' 580 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Solution structure of AT1g01470 from Arabidopsis Thaliana ; _Citation_status "other publication status" _Citation_type "publication other" _MEDLINE_UI_code . _PubMed_ID . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Singh Shanteri . . stop_ _Journal_abbreviation ? _Journal_volume ? _Page_first ? _Page_last ? _Year ? _Details "LEA protein" loop_ _Keyword "Structural Genomics" "Protein Structure Initiative" stop_ save_ ################################## # Molecular system description # ################################## save_system_AT1g01470 _Saveframe_category molecular_system _Mol_system_name "AT1g01470 monomer" _Abbreviation_common AT1g01470 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "AT1g01470 monomer" $AT1g01470_monomer stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' save_ ######################## # Monomeric polymers # ######################## save_AT1g01470_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "Arabidopsis thaliana" _Name_variant . _Abbreviation_common "Arabidopsis thaliana" _Mol_thiol_state 'all free' ############################## # Polymer residue sequence # ############################## _Residue_count 151 _Mol_residue_sequence ; MASLLDKAKDFVADKLTAIP KPEGSVTDVDLKDVNRDSVE YLAKVSVTNPYSHSIPICEI SFTFHSAGREIGKGKIPDPG SLKAKDMTALDIPVVVPYSI LFNLARDVGVDWDIDYELQI GLTIDLPVVGEFTIPISSKG EIKLPTFKDFF ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 SER 4 LEU 5 LEU 6 ASP 7 LYS 8 ALA 9 LYS 10 ASP 11 PHE 12 VAL 13 ALA 14 ASP 15 LYS 16 LEU 17 THR 18 ALA 19 ILE 20 PRO 21 LYS 22 PRO 23 GLU 24 GLY 25 SER 26 VAL 27 THR 28 ASP 29 VAL 30 ASP 31 LEU 32 LYS 33 ASP 34 VAL 35 ASN 36 ARG 37 ASP 38 SER 39 VAL 40 GLU 41 TYR 42 LEU 43 ALA 44 LYS 45 VAL 46 SER 47 VAL 48 THR 49 ASN 50 PRO 51 TYR 52 SER 53 HIS 54 SER 55 ILE 56 PRO 57 ILE 58 CYS 59 GLU 60 ILE 61 SER 62 PHE 63 THR 64 PHE 65 HIS 66 SER 67 ALA 68 GLY 69 ARG 70 GLU 71 ILE 72 GLY 73 LYS 74 GLY 75 LYS 76 ILE 77 PRO 78 ASP 79 PRO 80 GLY 81 SER 82 LEU 83 LYS 84 ALA 85 LYS 86 ASP 87 MET 88 THR 89 ALA 90 LEU 91 ASP 92 ILE 93 PRO 94 VAL 95 VAL 96 VAL 97 PRO 98 TYR 99 SER 100 ILE 101 LEU 102 PHE 103 ASN 104 LEU 105 ALA 106 ARG 107 ASP 108 VAL 109 GLY 110 VAL 111 ASP 112 TRP 113 ASP 114 ILE 115 ASP 116 TYR 117 GLU 118 LEU 119 GLN 120 ILE 121 GLY 122 LEU 123 THR 124 ILE 125 ASP 126 LEU 127 PRO 128 VAL 129 VAL 130 GLY 131 GLU 132 PHE 133 THR 134 ILE 135 PRO 136 ILE 137 SER 138 SER 139 LYS 140 GLY 141 GLU 142 ILE 143 LYS 144 LEU 145 PRO 146 THR 147 PHE 148 LYS 149 ASP 150 PHE 151 PHE stop_ _Sequence_homology_query_date 2004-11-29 _Sequence_homology_query_revised_last_date 2004-10-22 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value EMBL CAA71174.1 "putative desication related proteinLEA14 [Arabidopsis thaliana]" 100.00 151 100 100 6e-82 EMBL CAA73311.1 "LEA protein [Arabidopsis thaliana]" 100.00 151 100 100 6e-82 GenBank AAF81307.1 "Contains similarity to a lateembryogenesis abundant protein LEA14-A from Gossypiumhirsutum gi" 100.00 151 100 100 6e-82 GenBank AAL75906.1 "At1g01470/F22L4_2 [Arabidopsis thaliana]" 100.00 151 100 100 6e-82 GenBank AAT71983.1 "At1g01470 [Arabidopsis thaliana]" 100.00 151 100 100 6e-82 PIR D86145 "putative desication related protein LEA14 -Arabidopsis thaliana" 100.00 151 100 100 6e-82 REF NP_171654.1 "late embryogenesis abundant protein,putative / LEA protein, putative [Arabidopsis thaliana]" 100.00 151 100 100 6e-82 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AT1g01470_monomer "Thale cress" 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 $AT1g01470_monomer 'recombinant technology' . . . . . 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $AT1g01470_monomer . mM 0.5 1.0 "[U-13C; U-15N]" stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; HSQC HNCO HNCACB CBCACONH HCCONH CCONH CCH-TOCSY HBHACONH ; save_ ####################### # Sample conditions # ####################### save_cond_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.2 n/a temperature 298 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H2O H 1 protons ppm 4.773 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_shift_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name "AT1g01470 monomer" 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 ALA CA C 52.793 0.3 1 2 2 ALA HA H 4.394 0.03 1 3 2 ALA CB C 19.579 0.3 1 4 2 ALA HB H 1.393 0.03 1 5 2 ALA C C 177.557 0.3 1 6 3 SER N N 115.568 0.3 1 7 3 SER H H 8.420 0.03 1 8 3 SER CA C 58.298 0.3 1 9 3 SER HA H 4.436 0.03 1 10 3 SER CB C 64.105 0.3 1 11 3 SER HB3 H 3.845 0.03 2 12 3 SER C C 174.818 0.3 1 13 4 LEU N N 124.513 0.3 1 14 4 LEU H H 8.374 0.03 1 15 4 LEU CA C 55.929 0.3 1 16 4 LEU HA H 4.523 0.03 1 17 4 LEU CB C 42.308 0.3 1 18 4 LEU HB3 H 1.341 0.03 2 19 4 LEU HB2 H 1.599 0.03 2 20 4 LEU HD2 H 0.875 0.03 2 21 5 LEU N N 121.382 0.3 1 22 5 LEU H H 8.089 0.03 1 23 5 LEU CA C 55.717 0.3 1 24 5 LEU CB C 42.317 0.3 1 25 6 ASP N N 120.835 0.3 1 26 6 ASP H H 8.103 0.03 1 27 6 ASP CA C 54.822 0.3 1 28 6 ASP CB C 41.323 0.3 1 29 6 ASP C C 176.449 0.3 1 30 7 LYS N N 121.543 0.3 1 31 7 LYS H H 8.106 0.03 1 32 7 LYS CA C 56.648 0.3 1 33 7 LYS HA H 4.231 0.03 1 34 7 LYS CB C 33.008 0.3 1 35 7 LYS HB3 H 1.658 0.03 2 36 7 LYS HB2 H 1.788 0.03 2 37 7 LYS CG C 24.668 0.3 1 38 7 LYS HG3 H 1.412 0.03 2 39 7 LYS CD C 28.936 0.3 1 40 7 LYS CE C 42.113 0.3 1 41 7 LYS HE3 H 2.962 0.03 2 42 7 LYS C C 176.630 0.3 1 43 8 ALA N N 124.230 0.3 1 44 8 ALA H H 8.207 0.03 1 45 8 ALA CA C 52.877 0.3 1 46 8 ALA HA H 4.717 0.03 1 47 8 ALA CB C 19.186 0.3 1 48 8 ALA HB H 1.404 0.03 1 49 8 ALA C C 178.146 0.3 1 50 9 LYS N N 119.646 0.3 1 51 9 LYS H H 8.111 0.03 1 52 9 LYS CA C 56.829 0.3 1 53 9 LYS CB C 33.025 0.3 1 54 10 ASP N N 120.694 0.3 1 55 10 ASP H H 8.156 0.03 1 56 10 ASP CA C 54.517 0.3 1 57 10 ASP HA H 4.543 0.03 1 58 10 ASP CB C 41.238 0.3 1 59 10 ASP HB3 H 2.580 0.03 2 60 10 ASP C C 175.829 0.3 1 61 11 PHE N N 120.552 0.3 1 62 11 PHE H H 8.043 0.03 1 63 11 PHE CA C 58.154 0.3 1 64 11 PHE HA H 4.546 0.03 1 65 11 PHE CB C 39.577 0.3 1 66 11 PHE HB3 H 3.081 0.03 2 67 11 PHE C C 175.600 0.3 1 68 12 VAL N N 122.816 0.3 1 69 12 VAL H H 7.910 0.03 1 70 12 VAL CA C 62.365 0.3 1 71 12 VAL HA H 3.963 0.03 1 72 12 VAL CB C 32.999 0.3 1 73 12 VAL HB H 1.991 0.03 1 74 12 VAL CG1 C 20.995 0.3 1 75 12 VAL HG1 H 0.890 0.03 2 76 12 VAL C C 175.701 0.3 1 77 13 ALA N N 127.060 0.3 1 78 13 ALA H H 8.200 0.03 1 79 13 ALA CA C 53.269 0.3 1 80 13 ALA HA H 4.160 0.03 1 81 13 ALA CB C 19.343 0.3 1 82 13 ALA HB H 1.392 0.03 1 83 13 ALA C C 177.841 0.3 1 84 14 ASP N N 118.967 0.3 1 85 14 ASP H H 8.210 0.03 1 86 14 ASP CA C 54.866 0.3 1 87 14 ASP HA H 4.619 0.03 1 88 14 ASP CB C 41.387 0.3 1 89 14 ASP HB3 H 2.187 0.03 2 90 14 ASP HB2 H 2.060 0.03 2 91 15 LYS N N 120.578 0.3 1 92 15 LYS H H 8.156 0.03 1 93 15 LYS CA C 57.174 0.3 1 94 15 LYS CB C 33.004 0.3 1 95 16 LEU N N 120.694 0.3 1 96 16 LEU H H 8.190 0.03 1 97 16 LEU CA C 55.691 0.3 1 98 16 LEU HA H 4.300 0.03 1 99 16 LEU CB C 42.002 0.3 1 100 16 LEU HB3 H 1.629 0.03 2 101 16 LEU CG C 27.171 0.3 1 102 16 LEU CD1 C 25.115 0.3 1 103 16 LEU HD1 H 0.873 0.03 2 104 16 LEU CD2 C 23.520 0.3 1 105 16 LEU C C 178.079 0.3 1 106 17 THR N N 114.045 0.3 1 107 17 THR H H 7.905 0.03 1 108 17 THR CA C 63.197 0.3 1 109 17 THR HA H 4.147 0.03 1 110 17 THR CB C 69.532 0.3 1 111 17 THR HB H 4.169 0.03 1 112 17 THR CG2 C 21.036 0.3 1 113 17 THR HG2 H 1.230 0.03 1 114 17 THR C C 174.382 0.3 1 115 18 ALA N N 125.079 0.3 1 116 18 ALA H H 8.030 0.03 1 117 18 ALA CA C 52.234 0.3 1 118 18 ALA HA H 4.333 0.03 1 119 18 ALA CB C 19.326 0.3 1 120 18 ALA HB H 1.347 0.03 1 121 18 ALA C C 177.134 0.3 1 122 19 ILE N N 120.411 0.3 1 123 19 ILE H H 7.695 0.03 1 124 19 ILE CA C 58.405 0.3 1 125 19 ILE HA H 4.463 0.03 1 126 19 ILE CB C 38.742 0.3 1 127 19 ILE HB H 1.789 0.03 1 128 19 ILE CG1 C 26.600 0.3 2 129 19 ILE HG13 H 1.411 0.03 1 130 19 ILE HG12 H 1.157 0.03 1 131 19 ILE CD1 C 17.600 0.3 1 132 19 ILE HD1 H 0.814 0.03 1 133 19 ILE CG2 C 12.950 0.3 1 134 19 ILE HG2 H 0.774 0.03 1 135 20 PRO CA C 62.953 0.3 1 136 20 PRO HA H 4.350 0.03 1 137 20 PRO CB C 31.869 0.3 1 138 20 PRO HB3 H 2.032 0.03 2 139 20 PRO HB2 H 1.308 0.03 2 140 20 PRO CG C 27.325 0.3 1 141 20 PRO HG3 H 2.032 0.03 2 142 20 PRO HG2 H 1.763 0.03 2 143 20 PRO CD C 51.122 0.3 1 144 20 PRO HD3 H 4.098 0.03 2 145 20 PRO HD2 H 4.130 0.03 2 146 20 PRO C C 177.411 0.3 1 147 21 LYS N N 121.118 0.3 1 148 21 LYS H H 8.650 0.03 1 149 21 LYS CA C 53.182 0.3 1 150 21 LYS HA H 4.957 0.03 1 151 21 LYS CB C 34.216 0.3 1 152 21 LYS HB3 H 1.527 0.03 2 153 21 LYS HB2 H 1.262 0.03 2 154 22 PRO CA C 63.307 0.3 1 155 22 PRO HA H 4.722 0.03 1 156 22 PRO CB C 32.331 0.3 1 157 22 PRO HB3 H 1.907 0.03 2 158 22 PRO CG C 27.958 0.3 1 159 22 PRO HG3 H 1.620 0.03 2 160 22 PRO CD C 51.242 0.3 1 161 22 PRO C C 173.450 0.3 1 162 23 GLU N N 118.572 0.3 1 163 23 GLU H H 7.837 0.03 1 164 23 GLU CA C 54.679 0.3 1 165 23 GLU HA H 4.735 0.03 1 166 23 GLU CB C 33.545 0.3 1 167 23 GLU HB3 H 1.906 0.03 2 168 23 GLU HB2 H 2.068 0.03 2 169 23 GLU CG C 36.031 0.3 1 170 23 GLU HG3 H 2.271 0.03 2 171 23 GLU HG2 H 2.068 0.03 2 172 23 GLU C C 175.207 0.3 1 173 24 GLY N N 108.528 0.3 1 174 24 GLY H H 8.905 0.03 1 175 24 GLY CA C 45.486 0.3 1 176 24 GLY HA3 H 5.536 0.03 2 177 24 GLY HA2 H 3.478 0.03 2 178 24 GLY C C 171.784 0.3 1 179 25 SER N N 112.630 0.3 1 180 25 SER H H 8.614 0.03 1 181 25 SER CA C 57.455 0.3 1 182 25 SER HA H 4.790 0.03 1 183 25 SER CB C 66.156 0.3 1 184 25 SER HB3 H 3.705 0.03 2 185 25 SER HB2 H 3.829 0.03 2 186 25 SER C C 172.628 0.3 1 187 26 VAL N N 123.806 0.3 1 188 26 VAL H H 8.918 0.03 1 189 26 VAL CA C 61.927 0.3 1 190 26 VAL HA H 4.570 0.03 1 191 26 VAL CB C 32.371 0.3 1 192 26 VAL HB H 2.050 0.03 1 193 26 VAL CG2 C 21.756 0.3 1 194 26 VAL HG2 H 0.767 0.03 2 195 26 VAL C C 176.818 0.3 1 196 27 THR N N 121.118 0.3 1 197 27 THR H H 9.237 0.03 1 198 27 THR CA C 63.183 0.3 1 199 27 THR HA H 4.302 0.03 1 200 27 THR CB C 68.862 0.3 1 201 27 THR HB H 4.182 0.03 1 202 27 THR CG2 C 21.362 0.3 1 203 27 THR HG2 H 1.110 0.03 1 204 27 THR C C 174.737 0.3 1 205 28 ASP N N 119.138 0.3 1 206 28 ASP H H 7.380 0.03 1 207 28 ASP CA C 54.765 0.3 1 208 28 ASP HA H 4.830 0.03 1 209 28 ASP CB C 45.773 0.3 1 210 28 ASP HB3 H 2.465 0.03 1 211 28 ASP HB2 H 2.465 0.03 1 212 28 ASP C C 174.272 0.3 1 213 29 VAL N N 120.594 0.3 1 214 29 VAL H H 8.150 0.03 1 215 29 VAL CA C 63.067 0.3 1 216 29 VAL HA H 4.661 0.03 1 217 29 VAL CB C 33.004 0.3 1 218 29 VAL HB H 1.574 0.03 1 219 29 VAL CG2 C 21.115 0.3 1 220 29 VAL HG2 H 0.521 0.03 2 221 29 VAL CG1 C 21.115 0.3 1 222 29 VAL HG1 H 0.226 0.03 2 223 29 VAL C C 175.746 0.3 1 224 30 ASP N N 125.079 0.3 1 225 30 ASP H H 8.270 0.03 1 226 30 ASP CA C 53.006 0.3 1 227 30 ASP HA H 5.094 0.03 1 228 30 ASP CB C 44.669 0.3 1 229 30 ASP HB3 H 2.519 0.03 2 230 30 ASP C C 175.210 0.3 1 231 31 LEU N N 125.362 0.3 1 232 31 LEU H H 8.675 0.03 1 233 31 LEU CA C 56.331 0.3 1 234 31 LEU HA H 3.774 0.03 1 235 31 LEU CB C 41.600 0.3 1 236 31 LEU HB3 H 1.629 0.03 2 237 31 LEU HB2 H 1.358 0.03 2 238 31 LEU CG C 25.100 0.3 1 239 31 LEU HG H 1.070 0.03 1 240 31 LEU CD1 C 25.712 0.3 1 241 31 LEU HD1 H 0.463 0.03 2 242 31 LEU CD2 C 22.712 0.3 1 243 31 LEU HD2 H 0.190 0.03 2 244 31 LEU C C 175.152 0.3 1 245 32 LYS N N 130.229 0.3 1 246 32 LYS H H 8.920 0.03 1 247 32 LYS CA C 56.364 0.3 1 248 32 LYS HA H 4.406 0.03 1 249 32 LYS CB C 34.505 0.3 1 250 32 LYS HB3 H 1.482 0.03 2 251 32 LYS HB2 H 1.420 0.03 2 252 32 LYS CG C 24.584 0.3 1 253 32 LYS HG3 H 1.279 0.03 2 254 32 LYS HG2 H 1.200 0.03 2 255 32 LYS CD C 28.601 0.3 1 256 32 LYS HD3 H 1.647 0.03 2 257 32 LYS HD2 H 1.453 0.03 2 258 32 LYS CE C 41.941 0.3 1 259 32 LYS HE3 H 2.716 0.03 2 260 32 LYS HE2 H 2.500 0.03 2 261 32 LYS C C 175.166 0.3 1 262 33 ASP N N 117.157 0.3 1 263 33 ASP H H 7.829 0.03 1 264 33 ASP CA C 54.315 0.3 1 265 33 ASP HA H 4.793 0.03 1 266 33 ASP CB C 44.860 0.3 1 267 33 ASP HB3 H 2.454 0.03 1 268 33 ASP HB2 H 2.454 0.03 1 269 33 ASP C C 173.345 0.3 1 270 34 VAL N N 119.987 0.3 1 271 34 VAL H H 8.145 0.03 1 272 34 VAL CA C 61.763 0.3 1 273 34 VAL HA H 4.480 0.03 1 274 34 VAL CB C 34.746 0.3 1 275 34 VAL HB H 1.947 0.03 1 276 34 VAL CG2 C 22.080 0.3 1 277 34 VAL HG2 H 0.870 0.03 1 278 34 VAL CG1 C 20.718 0.3 1 279 34 VAL HG1 H 0.870 0.03 1 280 34 VAL C C 173.787 0.3 1 281 35 ASN N N 124.796 0.3 1 282 35 ASN H H 8.595 0.03 1 283 35 ASN CA C 52.281 0.3 1 284 35 ASN HA H 4.607 0.03 1 285 35 ASN CB C 40.196 0.3 1 286 35 ASN HB3 H 2.890 0.03 2 287 35 ASN HB2 H 3.004 0.03 2 288 35 ASN ND2 N 116.076 0.3 1 289 35 ASN HD21 H 6.815 0.03 2 290 35 ASN HD22 H 7.641 0.03 2 291 35 ASN C C 172.384 0.3 1 292 36 ARG N N 113.055 0.3 1 293 36 ARG H H 7.923 0.03 1 294 36 ARG CA C 58.194 0.3 1 295 36 ARG HA H 3.227 0.03 1 296 36 ARG CB C 29.819 0.3 1 297 36 ARG HB3 H 1.513 0.03 1 298 36 ARG HB2 H 1.513 0.03 1 299 36 ARG CG C 27.062 0.3 1 300 36 ARG HG3 H 1.403 0.03 2 301 36 ARG HG2 H 1.340 0.03 2 302 36 ARG CD C 43.254 0.3 1 303 36 ARG HD2 H 2.970 0.03 2 304 36 ARG NE N 84.762 0.3 1 305 36 ARG HE H 7.112 0.03 1 306 36 ARG C C 175.684 0.3 1 307 37 ASP N N 114.894 0.3 1 308 37 ASP H H 8.471 0.03 1 309 37 ASP CA C 55.660 0.3 1 310 37 ASP HA H 4.899 0.03 1 311 37 ASP CB C 43.254 0.3 1 312 37 ASP HB3 H 2.700 0.03 2 313 37 ASP HB2 H 2.688 0.03 2 314 37 ASP C C 178.186 0.3 1 315 38 SER N N 118.006 0.3 1 316 38 SER H H 8.435 0.03 1 317 38 SER CA C 58.563 0.3 1 318 38 SER HA H 5.128 0.03 1 319 38 SER CB C 66.898 0.3 1 320 38 SER HB3 H 3.690 0.03 2 321 38 SER HB2 H 3.564 0.03 2 322 38 SER C C 170.663 0.3 1 323 39 VAL N N 122.957 0.3 1 324 39 VAL H H 9.278 0.03 1 325 39 VAL CA C 61.525 0.3 1 326 39 VAL HA H 4.380 0.03 1 327 39 VAL CB C 33.821 0.3 1 328 39 VAL HB H 1.999 0.03 1 329 39 VAL CG2 C 22.358 0.3 1 330 39 VAL HG2 H 1.030 0.03 2 331 39 VAL CG1 C 22.358 0.3 1 332 39 VAL HG1 H 0.640 0.03 2 333 39 VAL C C 173.148 0.3 1 334 40 GLU N N 126.494 0.3 1 335 40 GLU H H 8.721 0.03 1 336 40 GLU CA C 54.829 0.3 1 337 40 GLU HA H 4.984 0.03 1 338 40 GLU CB C 32.574 0.3 1 339 40 GLU HB3 H 1.763 0.03 2 340 40 GLU HB2 H 1.880 0.03 2 341 40 GLU CG C 35.900 0.3 1 342 40 GLU HG3 H 2.120 0.03 2 343 40 GLU HG2 H 2.293 0.03 2 344 41 TYR N N 125.787 0.3 1 345 41 TYR H H 9.082 0.03 1 346 41 TYR CA C 57.361 0.3 1 347 41 TYR HA H 4.840 0.03 1 348 41 TYR CB C 40.742 0.3 1 349 41 TYR HB3 H 2.290 0.03 2 350 41 TYR HB2 H 2.256 0.03 2 351 41 TYR HD1 H 6.553 0.03 3 352 41 TYR HE1 H 6.663 0.03 3 353 42 LEU N N 123.382 0.3 1 354 42 LEU H H 9.211 0.03 1 355 42 LEU CA C 53.642 0.3 1 356 42 LEU HA H 4.707 0.03 1 357 42 LEU CB C 44.859 0.3 1 358 42 LEU HB3 H 1.664 0.03 2 359 42 LEU HB2 H 1.100 0.03 2 360 42 LEU CG C 27.260 0.3 1 361 42 LEU HG H 1.159 0.03 1 362 42 LEU CD1 C 25.399 0.3 1 363 42 LEU HD1 H 0.704 0.03 2 364 42 LEU CD2 C 23.323 0.3 1 365 42 LEU HD2 H 0.630 0.03 2 366 42 LEU C C 175.080 0.3 1 367 43 ALA N N 130.596 0.3 1 368 43 ALA H H 8.747 0.03 1 369 43 ALA CA C 50.079 0.3 1 370 43 ALA HA H 5.090 0.03 1 371 43 ALA CB C 20.083 0.3 1 372 43 ALA HB H 0.983 0.03 1 373 43 ALA C C 174.876 0.3 1 374 44 LYS N N 123.948 0.3 1 375 44 LYS H H 8.645 0.03 1 376 44 LYS CA C 55.527 0.3 1 377 44 LYS HA H 4.980 0.03 1 378 44 LYS CB C 33.280 0.3 1 379 44 LYS HB3 H 1.751 0.03 2 380 44 LYS HB2 H 1.561 0.03 2 381 44 LYS CG C 24.568 0.3 1 382 44 LYS HG3 H 1.321 0.03 2 383 44 LYS CD C 28.974 0.3 1 384 44 LYS HD3 H 1.677 0.03 2 385 44 LYS CE C 42.008 0.3 1 386 44 LYS HE3 H 2.828 0.03 2 387 44 LYS C C 175.381 0.3 1 388 45 VAL N N 123.099 0.3 1 389 45 VAL H H 8.838 0.03 1 390 45 VAL CA C 59.872 0.3 1 391 45 VAL HA H 4.988 0.03 1 392 45 VAL CB C 35.315 0.3 1 393 45 VAL HB H 1.910 0.03 1 394 45 VAL CG2 C 22.250 0.3 1 395 45 VAL HG2 H 0.755 0.03 2 396 45 VAL CG1 C 22.250 0.3 1 397 45 VAL HG1 H 0.750 0.03 2 398 45 VAL C C 174.948 0.3 1 399 46 SER N N 121.967 0.3 1 400 46 SER H H 8.924 0.03 1 401 46 SER CA C 57.361 0.3 1 402 46 SER HA H 5.301 0.03 1 403 46 SER CB C 65.368 0.3 1 404 46 SER HB3 H 3.641 0.03 2 405 46 SER HB2 H 3.730 0.03 2 406 46 SER C C 174.862 0.3 1 407 47 VAL N N 125.928 0.3 1 408 47 VAL H H 9.067 0.03 1 409 47 VAL CA C 60.384 0.3 1 410 47 VAL HA H 5.150 0.03 1 411 47 VAL CB C 34.993 0.3 1 412 47 VAL HB H 1.900 0.03 1 413 47 VAL CG2 C 22.165 0.3 1 414 47 VAL HG2 H 0.960 0.03 2 415 47 VAL CG1 C 18.773 0.3 1 416 47 VAL HG1 H 0.863 0.03 2 417 47 VAL C C 175.821 0.3 1 418 48 THR N N 121.967 0.3 1 419 48 THR H H 9.243 0.03 1 420 48 THR CA C 61.963 0.3 1 421 48 THR HA H 4.586 0.03 1 422 48 THR CB C 70.034 0.3 1 423 48 THR HB H 4.158 0.03 1 424 48 THR CG2 C 22.115 0.3 1 425 48 THR HG2 H 1.168 0.03 1 426 48 THR C C 172.696 0.3 1 427 49 ASN N N 116.733 0.3 1 428 49 ASN H H 7.672 0.03 1 429 49 ASN CA C 49.207 0.3 1 430 49 ASN HA H 5.226 0.03 1 431 49 ASN CB C 41.591 0.3 1 432 49 ASN HB3 H 2.830 0.03 2 433 49 ASN HB2 H 3.510 0.03 2 434 49 ASN ND2 N 107.962 0.3 1 435 49 ASN HD21 H 6.759 0.03 2 436 49 ASN HD22 H 6.400 0.03 2 437 50 PRO CA C 62.525 0.3 1 438 50 PRO HA H 4.430 0.03 1 439 50 PRO CB C 32.770 0.3 1 440 50 PRO HB3 H 2.306 0.03 2 441 50 PRO HB2 H 1.998 0.03 2 442 50 PRO CG C 25.395 0.3 1 443 50 PRO HG3 H 2.075 0.03 2 444 50 PRO CD C 51.300 0.3 1 445 50 PRO C C 176.860 0.3 1 446 51 TYR N N 119.704 0.3 1 447 51 TYR H H 7.931 0.03 1 448 51 TYR CA C 59.172 0.3 1 449 51 TYR HA H 4.267 0.03 1 450 51 TYR CB C 38.787 0.3 1 451 51 TYR HB3 H 3.147 0.03 2 452 51 TYR HB2 H 2.572 0.03 2 453 51 TYR CD1 C 133.837 0.3 3 454 51 TYR HD1 H 6.886 0.03 3 455 51 TYR HE1 H 6.611 0.03 3 456 51 TYR C C 175.638 0.3 1 457 52 SER N N 113.762 0.3 1 458 52 SER H H 8.788 0.03 1 459 52 SER CA C 59.011 0.3 1 460 52 SER HA H 4.220 0.03 1 461 52 SER CB C 63.200 0.3 1 462 52 SER HB3 H 3.960 0.03 2 463 52 SER HB2 H 4.055 0.03 2 464 52 SER C C 172.366 0.3 1 465 53 HIS N N 116.591 0.3 1 466 53 HIS H H 7.065 0.03 1 467 53 HIS CA C 53.524 0.3 1 468 53 HIS HA H 4.882 0.03 1 469 53 HIS CB C 32.289 0.3 1 470 53 HIS HB3 H 3.182 0.03 2 471 53 HIS HB2 H 3.143 0.03 2 472 53 HIS CE1 C 137.938 0.3 1 473 53 HIS HE1 H 7.455 0.03 4 474 53 HIS C C 173.724 0.3 1 475 54 SER N N 116.026 0.3 1 476 54 SER H H 8.764 0.03 1 477 54 SER CA C 58.062 0.3 1 478 54 SER HA H 4.544 0.03 1 479 54 SER CB C 63.844 0.3 1 480 54 SER HB3 H 3.815 0.03 2 481 54 SER C C 174.944 0.3 1 482 55 ILE N N 123.665 0.3 1 483 55 ILE H H 7.920 0.03 1 484 55 ILE CA C 56.570 0.3 1 485 55 ILE HA H 4.890 0.03 1 486 55 ILE CB C 41.692 0.3 1 487 55 ILE HB H 1.714 0.03 1 488 55 ILE CG1 C 26.650 0.3 2 489 55 ILE HG13 H 1.429 0.03 1 490 55 ILE HG12 H 1.250 0.03 1 491 55 ILE CD1 C 17.386 0.3 1 492 55 ILE HD1 H 0.883 0.03 1 493 55 ILE CG2 C 12.850 0.3 1 494 55 ILE HG2 H 0.578 0.03 1 495 56 PRO CA C 63.880 0.3 1 496 56 PRO HA H 4.445 0.03 1 497 56 PRO CB C 32.793 0.3 1 498 56 PRO HB3 H 1.904 0.03 2 499 56 PRO HB2 H 2.279 0.03 2 500 56 PRO CG C 27.532 0.3 1 501 56 PRO HG3 H 2.014 0.03 2 502 56 PRO HG2 H 2.268 0.03 2 503 56 PRO CD C 51.656 0.3 1 504 56 PRO HD3 H 4.000 0.03 2 505 56 PRO C C 175.133 0.3 1 506 57 ILE N N 120.694 0.3 1 507 57 ILE H H 8.348 0.03 1 508 57 ILE CA C 60.786 0.3 1 509 57 ILE HA H 4.348 0.03 1 510 57 ILE CB C 38.825 0.3 1 511 57 ILE HB H 1.961 0.03 1 512 57 ILE CG1 C 27.206 0.3 2 513 57 ILE HG13 H 1.756 0.03 1 514 57 ILE HG12 H 1.204 0.03 1 515 57 ILE CD1 C 14.709 0.3 1 516 57 ILE HD1 H 0.630 0.03 1 517 57 ILE CG2 C 19.090 0.3 1 518 57 ILE HG2 H 0.720 0.03 1 519 57 ILE C C 175.828 0.3 1 520 58 CYS N N 126.777 0.3 1 521 58 CYS H H 9.367 0.03 1 522 58 CYS CA C 55.910 0.3 1 523 58 CYS HA H 4.657 0.03 1 524 58 CYS CB C 39.801 0.3 1 525 58 CYS HB3 H 3.434 0.03 2 526 58 CYS HB2 H 2.390 0.03 2 527 58 CYS C C 176.322 0.3 1 528 59 GLU N N 116.307 0.3 1 529 59 GLU H H 7.749 0.03 1 530 59 GLU CA C 56.421 0.3 1 531 59 GLU HA H 4.794 0.03 1 532 59 GLU CB C 33.845 0.3 1 533 59 GLU HB3 H 1.980 0.03 2 534 59 GLU HB2 H 1.961 0.03 2 535 59 GLU CG C 36.690 0.3 1 536 59 GLU HG3 H 2.120 0.03 2 537 59 GLU HG2 H 1.961 0.03 2 538 59 GLU C C 173.686 0.3 1 539 60 ILE N N 123.099 0.3 1 540 60 ILE H H 8.623 0.03 1 541 60 ILE CA C 60.925 0.3 1 542 60 ILE HA H 4.970 0.03 1 543 60 ILE CB C 41.169 0.3 1 544 60 ILE HB H 1.950 0.03 1 545 60 ILE CG1 C 31.920 0.3 2 546 60 ILE HG13 H 1.720 0.03 1 547 60 ILE HG12 H 2.429 0.03 1 548 60 ILE CD1 C 17.660 0.3 1 549 60 ILE HD1 H 0.868 0.03 1 550 60 ILE CG2 C 14.351 0.3 1 551 60 ILE HG2 H 0.811 0.03 1 552 60 ILE C C 174.502 0.3 1 553 61 SER N N 122.391 0.3 1 554 61 SER H H 9.164 0.03 1 555 61 SER CA C 56.451 0.3 1 556 61 SER HA H 5.431 0.03 1 557 61 SER CB C 66.033 0.3 1 558 61 SER HB3 H 3.800 0.03 2 559 61 SER HB2 H 3.879 0.03 2 560 61 SER C C 173.590 0.3 1 561 62 PHE N N 117.445 0.3 1 562 62 PHE H H 8.508 0.03 1 563 62 PHE CA C 56.377 0.3 1 564 62 PHE HA H 6.055 0.03 1 565 62 PHE CB C 43.111 0.3 1 566 62 PHE HB3 H 2.870 0.03 2 567 62 PHE HB2 H 2.820 0.03 2 568 62 PHE HD1 H 6.530 0.03 3 569 62 PHE HE1 H 7.344 0.03 3 570 62 PHE HZ H 6.987 0.03 1 571 62 PHE C C 174.426 0.3 1 572 63 THR N N 112.913 0.3 1 573 63 THR H H 9.033 0.03 1 574 63 THR CA C 62.054 0.3 1 575 63 THR HA H 4.715 0.03 1 576 63 THR CB C 71.712 0.3 1 577 63 THR HB H 4.155 0.03 1 578 63 THR CG2 C 22.320 0.3 1 579 63 THR HG2 H 1.220 0.03 1 580 63 THR C C 172.214 0.3 1 581 64 PHE N N 128.050 0.3 1 582 64 PHE H H 9.260 0.03 1 583 64 PHE CA C 56.153 0.3 1 584 64 PHE HA H 5.590 0.03 1 585 64 PHE CB C 43.879 0.3 1 586 64 PHE HB3 H 2.973 0.03 2 587 64 PHE HB2 H 2.620 0.03 2 588 64 PHE HD1 H 6.431 0.03 3 589 64 PHE HE1 H 6.528 0.03 3 590 64 PHE HZ H 6.650 0.03 1 591 64 PHE C C 173.424 0.3 1 592 65 HIS N N 127.767 0.3 1 593 65 HIS H H 9.273 0.03 1 594 65 HIS CA C 54.542 0.3 1 595 65 HIS HA H 5.620 0.03 1 596 65 HIS CB C 33.880 0.3 1 597 65 HIS HB3 H 2.913 0.03 2 598 65 HIS HB2 H 2.800 0.03 2 599 65 HIS HD2 H 6.954 0.03 4 600 65 HIS CE1 C 138.134 0.3 1 601 65 HIS HE1 H 7.978 0.03 4 602 65 HIS C C 174.157 0.3 1 603 66 SER N N 114.611 0.3 1 604 66 SER H H 8.756 0.03 1 605 66 SER CA C 58.897 0.3 1 606 66 SER HA H 4.632 0.03 1 607 66 SER CB C 66.198 0.3 1 608 66 SER HB3 H 3.419 0.03 2 609 66 SER HB2 H 3.303 0.03 2 610 66 SER C C 174.520 0.3 1 611 67 ALA N N 130.172 0.3 1 612 67 ALA H H 9.007 0.03 1 613 67 ALA CA C 53.061 0.3 1 614 67 ALA HA H 4.160 0.03 1 615 67 ALA CB C 18.200 0.3 1 616 67 ALA HB H 1.435 0.03 1 617 67 ALA C C 177.824 0.3 1 618 68 GLY N N 104.284 0.3 1 619 68 GLY H H 9.116 0.03 1 620 68 GLY CA C 45.524 0.3 1 621 68 GLY HA3 H 4.121 0.03 2 622 68 GLY HA2 H 3.581 0.03 2 623 68 GLY C C 174.589 0.3 1 624 69 ARG N N 122.109 0.3 1 625 69 ARG H H 8.430 0.03 1 626 69 ARG CA C 54.746 0.3 1 627 69 ARG HA H 4.606 0.03 1 628 69 ARG CB C 32.450 0.3 1 629 69 ARG HB3 H 1.642 0.03 2 630 69 ARG HB2 H 1.863 0.03 2 631 69 ARG CG C 26.759 0.3 1 632 69 ARG HG3 H 1.779 0.03 2 633 69 ARG CD C 43.733 0.3 1 634 69 ARG HD2 H 3.080 0.03 2 635 69 ARG NE N 84.762 0.3 1 636 69 ARG HE H 7.050 0.03 1 637 69 ARG C C 174.975 0.3 1 638 70 GLU N N 124.655 0.3 1 639 70 GLU H H 8.764 0.03 1 640 70 GLU CA C 57.638 0.3 1 641 70 GLU HA H 3.852 0.03 1 642 70 GLU CB C 30.701 0.3 1 643 70 GLU HB3 H 1.879 0.03 2 644 70 GLU HB2 H 1.975 0.03 2 645 70 GLU CG C 36.758 0.3 1 646 70 GLU HG3 H 2.203 0.03 2 647 70 GLU HG2 H 2.104 0.03 2 648 70 GLU C C 176.260 0.3 1 649 71 ILE N N 122.109 0.3 1 650 71 ILE H H 8.800 0.03 1 651 71 ILE CA C 61.996 0.3 1 652 71 ILE HA H 4.677 0.03 1 653 71 ILE CB C 39.808 0.3 1 654 71 ILE HB H 2.075 0.03 1 655 71 ILE CG1 C 26.050 0.3 2 656 71 ILE HG13 H 1.778 0.03 1 657 71 ILE HG12 H 2.159 0.03 1 658 71 ILE CD1 C 17.983 0.3 1 659 71 ILE HD1 H 0.826 0.03 1 660 71 ILE CG2 C 13.887 0.3 1 661 71 ILE HG2 H 0.645 0.03 1 662 71 ILE C C 174.968 0.3 1 663 72 GLY N N 107.679 0.3 1 664 72 GLY H H 8.058 0.03 1 665 72 GLY CA C 45.783 0.3 1 666 72 GLY HA3 H 4.727 0.03 2 667 72 GLY HA2 H 3.770 0.03 2 668 72 GLY C C 170.660 0.3 1 669 73 LYS N N 119.138 0.3 1 670 73 LYS H H 8.403 0.03 1 671 73 LYS CA C 56.178 0.3 1 672 73 LYS HA H 4.545 0.03 1 673 73 LYS CB C 34.835 0.3 1 674 73 LYS HB3 H 1.830 0.03 2 675 73 LYS HB2 H 1.890 0.03 2 676 73 LYS CG C 23.312 0.3 1 677 73 LYS HG3 H 1.593 0.03 2 678 73 LYS HG2 H 1.796 0.03 2 679 73 LYS CD C 29.514 0.3 1 680 73 LYS HD3 H 1.228 0.03 2 681 73 LYS HD2 H 1.266 0.03 2 682 73 LYS CE C 42.049 0.3 1 683 73 LYS HE3 H 2.871 0.03 2 684 73 LYS C C 174.445 0.3 1 685 74 GLY N N 107.821 0.3 1 686 74 GLY H H 7.012 0.03 1 687 74 GLY CA C 45.784 0.3 1 688 74 GLY HA3 H 3.939 0.03 2 689 74 GLY HA2 H 3.607 0.03 2 690 74 GLY C C 170.592 0.3 1 691 75 LYS N N 117.865 0.3 1 692 75 LYS H H 8.099 0.03 1 693 75 LYS CA C 55.396 0.3 1 694 75 LYS HA H 5.240 0.03 1 695 75 LYS CB C 36.356 0.3 1 696 75 LYS HB3 H 1.597 0.03 2 697 75 LYS HB2 H 1.646 0.03 2 698 75 LYS CG C 24.946 0.3 1 699 75 LYS HG3 H 1.248 0.03 2 700 75 LYS CD C 29.300 0.3 1 701 75 LYS CE C 42.000 0.3 1 702 75 LYS HE3 H 2.847 0.03 2 703 75 LYS C C 175.573 0.3 1 704 76 ILE N N 124.938 0.3 1 705 76 ILE H H 9.173 0.03 1 706 76 ILE CA C 57.843 0.3 1 707 76 ILE HA H 4.696 0.03 1 708 76 ILE CB C 40.393 0.3 1 709 76 ILE HB H 1.960 0.03 1 710 76 ILE CG1 C 27.380 0.3 2 711 76 ILE HG13 H 1.567 0.03 1 712 76 ILE HG12 H 1.364 0.03 1 713 76 ILE CD1 C 13.580 0.3 1 714 76 ILE HD1 H 1.000 0.03 1 715 76 ILE CG2 C 14.990 0.3 1 716 77 PRO CA C 62.438 0.3 1 717 77 PRO HA H 4.657 0.03 1 718 77 PRO CB C 32.636 0.3 1 719 77 PRO HB3 H 2.000 0.03 2 720 77 PRO HB2 H 2.131 0.03 2 721 77 PRO HG3 H 2.296 0.03 2 722 77 PRO HD3 H 3.588 0.03 2 723 77 PRO HD2 H 3.833 0.03 2 724 78 ASP N N 116.309 0.3 1 725 78 ASP H H 8.172 0.03 1 726 78 ASP CA C 54.430 0.3 1 727 78 ASP HA H 4.651 0.03 1 728 78 ASP CB C 41.569 0.3 1 729 78 ASP HB3 H 2.790 0.03 2 730 78 ASP HB2 H 2.538 0.03 2 731 79 PRO CA C 64.473 0.3 1 732 79 PRO HA H 4.417 0.03 1 733 79 PRO CB C 31.999 0.3 1 734 79 PRO HB3 H 1.940 0.03 2 735 79 PRO HB2 H 1.738 0.03 2 736 79 PRO CG C 27.453 0.3 1 737 79 PRO CD C 49.530 0.3 1 738 79 PRO HD3 H 3.592 0.03 2 739 79 PRO HD2 H 3.640 0.03 2 740 79 PRO C C 176.528 0.3 1 741 80 GLY N N 107.113 0.3 1 742 80 GLY H H 7.923 0.03 1 743 80 GLY CA C 44.960 0.3 1 744 80 GLY HA3 H 4.364 0.03 2 745 80 GLY HA2 H 3.819 0.03 2 746 80 GLY C C 171.971 0.3 1 747 81 SER N N 114.469 0.3 1 748 81 SER H H 8.200 0.03 1 749 81 SER CA C 57.263 0.3 1 750 81 SER HA H 5.153 0.03 1 751 81 SER CB C 66.616 0.3 1 752 81 SER HB3 H 3.478 0.03 2 753 81 SER HB2 H 3.590 0.03 2 754 81 SER C C 173.653 0.3 1 755 82 LEU N N 120.977 0.3 1 756 82 LEU H H 9.350 0.03 1 757 82 LEU CA C 53.280 0.3 1 758 82 LEU HA H 4.688 0.03 1 759 82 LEU CB C 41.751 0.3 1 760 82 LEU HB3 H 1.621 0.03 2 761 82 LEU HB2 H 1.725 0.03 2 762 82 LEU CG C 25.902 0.3 1 763 82 LEU HG H 1.096 0.03 1 764 82 LEU CD1 C 24.820 0.3 1 765 82 LEU HD1 H 0.777 0.03 2 766 82 LEU CD2 C 23.440 0.3 1 767 82 LEU HD2 H 0.622 0.03 2 768 82 LEU C C 176.832 0.3 1 769 83 LYS N N 124.655 0.3 1 770 83 LYS H H 7.893 0.03 1 771 83 LYS CA C 57.008 0.3 1 772 83 LYS HA H 3.925 0.03 1 773 83 LYS CB C 33.929 0.3 1 774 83 LYS HB3 H 1.503 0.03 2 775 83 LYS HB2 H 1.654 0.03 2 776 83 LYS CG C 25.203 0.3 1 777 83 LYS HG3 H 1.778 0.03 2 778 83 LYS HG2 H 1.510 0.03 2 779 83 LYS CD C 29.277 0.3 1 780 83 LYS HD3 H 1.722 0.03 2 781 83 LYS HD2 H 1.670 0.03 2 782 83 LYS CE C 42.181 0.3 1 783 83 LYS HE3 H 3.068 0.03 2 784 83 LYS C C 177.680 0.3 1 785 84 ALA N N 126.352 0.3 1 786 84 ALA H H 8.536 0.03 1 787 84 ALA CA C 53.304 0.3 1 788 84 ALA HA H 3.588 0.03 1 789 84 ALA CB C 19.489 0.3 1 790 84 ALA HB H 1.026 0.03 1 791 84 ALA C C 176.478 0.3 1 792 85 LYS N N 122.050 0.3 1 793 85 LYS H H 7.999 0.03 1 794 85 LYS CA C 56.584 0.3 1 795 85 LYS HA H 4.058 0.03 1 796 85 LYS CB C 31.869 0.3 1 797 85 LYS HB3 H 2.024 0.03 2 798 85 LYS HB2 H 1.457 0.03 2 799 85 LYS CG C 25.445 0.3 1 800 85 LYS HG2 H 1.275 0.03 2 801 85 LYS CD C 28.857 0.3 1 802 85 LYS HD3 H 1.569 0.03 2 803 85 LYS CE C 42.110 0.3 1 804 85 LYS HE3 H 2.854 0.03 2 805 85 LYS HE2 H 2.735 0.03 2 806 85 LYS C C 174.636 0.3 1 807 86 ASP N N 115.318 0.3 1 808 86 ASP H H 7.328 0.03 1 809 86 ASP CA C 52.430 0.3 1 810 86 ASP HA H 4.855 0.03 1 811 86 ASP CB C 44.078 0.3 1 812 86 ASP HB3 H 2.702 0.03 2 813 86 ASP HB2 H 2.162 0.03 2 814 86 ASP C C 175.636 0.3 1 815 87 MET N N 122.957 0.3 1 816 87 MET H H 9.774 0.03 1 817 87 MET CA C 54.599 0.3 1 818 87 MET HA H 5.176 0.03 1 819 87 MET CB C 34.536 0.3 1 820 87 MET HB3 H 1.930 0.03 1 821 87 MET HB2 H 1.930 0.03 1 822 87 MET CG C 31.980 0.3 1 823 87 MET HG3 H 2.456 0.03 2 824 87 MET HG2 H 2.368 0.03 2 825 87 MET HE H 0.864 0.03 1 826 87 MET C C 175.801 0.3 1 827 88 THR N N 121.826 0.3 1 828 88 THR H H 9.179 0.03 1 829 88 THR CA C 63.372 0.3 1 830 88 THR HA H 4.350 0.03 1 831 88 THR CB C 71.354 0.3 1 832 88 THR HB H 3.814 0.03 1 833 88 THR CG2 C 21.018 0.3 1 834 88 THR HG2 H 1.257 0.03 1 835 88 THR C C 172.174 0.3 1 836 89 ALA N N 131.021 0.3 1 837 89 ALA H H 8.660 0.03 1 838 89 ALA CA C 50.806 0.3 1 839 89 ALA HA H 5.250 0.03 1 840 89 ALA CB C 19.890 0.3 1 841 89 ALA HB H 1.328 0.03 1 842 89 ALA C C 176.635 0.3 1 843 90 LEU N N 124.089 0.3 1 844 90 LEU H H 9.141 0.03 1 845 90 LEU CA C 53.575 0.3 1 846 90 LEU HA H 4.667 0.03 1 847 90 LEU CB C 45.198 0.3 1 848 90 LEU HB3 H 1.440 0.03 2 849 90 LEU HB2 H 1.262 0.03 2 850 90 LEU CG C 26.400 0.3 1 851 90 LEU HG H 1.434 0.03 1 852 90 LEU CD1 C 23.947 0.3 1 853 90 LEU HD1 H 0.703 0.03 2 854 90 LEU CD2 C 23.347 0.3 1 855 90 LEU HD2 H 0.625 0.03 2 856 90 LEU C C 174.678 0.3 1 857 91 ASP N N 123.382 0.3 1 858 91 ASP H H 8.424 0.03 1 859 91 ASP CA C 53.350 0.3 1 860 91 ASP HA H 5.162 0.03 1 861 91 ASP CB C 42.465 0.3 1 862 91 ASP HB3 H 2.510 0.03 2 863 91 ASP HB2 H 2.640 0.03 2 864 91 ASP C C 175.448 0.3 1 865 92 ILE N N 123.806 0.3 1 866 92 ILE H H 9.132 0.03 1 867 92 ILE CA C 57.802 0.3 1 868 92 ILE HA H 4.365 0.03 1 869 92 ILE CB C 39.724 0.3 1 870 92 ILE HB H 1.730 0.03 1 871 92 ILE CG1 C 27.040 0.3 2 872 92 ILE HG13 H 1.448 0.03 1 873 92 ILE HG12 H 1.260 0.03 1 874 92 ILE CD1 C 13.950 0.3 1 875 92 ILE HD1 H 0.610 0.03 1 876 92 ILE CG2 C 16.600 0.3 1 877 92 ILE HG2 H 0.140 0.03 1 878 93 PRO CA C 63.177 0.3 1 879 93 PRO HA H 4.375 0.03 1 880 93 PRO CB C 32.355 0.3 1 881 93 PRO HB3 H 2.134 0.03 2 882 93 PRO HB2 H 1.876 0.03 2 883 93 PRO CG C 28.290 0.3 1 884 93 PRO CD C 51.172 0.3 1 885 93 PRO HD3 H 3.741 0.03 2 886 93 PRO HD2 H 3.563 0.03 2 887 93 PRO C C 175.533 0.3 1 888 94 VAL N N 125.928 0.3 1 889 94 VAL H H 8.793 0.03 1 890 94 VAL CA C 63.166 0.3 1 891 94 VAL HA H 4.786 0.03 1 892 94 VAL CB C 32.420 0.3 1 893 94 VAL HB H 2.000 0.03 1 894 94 VAL CG2 C 21.300 0.3 1 895 94 VAL HG2 H 0.880 0.03 2 896 94 VAL CG1 C 21.300 0.3 1 897 94 VAL HG1 H 0.854 0.03 2 898 94 VAL C C 176.227 0.3 1 899 95 VAL N N 127.458 0.3 1 900 95 VAL H H 8.467 0.03 1 901 95 VAL CA C 61.870 0.3 1 902 95 VAL HA H 3.717 0.03 1 903 95 VAL CB C 33.000 0.3 1 904 95 VAL HB H 1.420 0.03 1 905 95 VAL CG2 C 18.500 0.3 1 906 95 VAL HG2 H -0.054 0.03 2 907 95 VAL CG1 C 20.050 0.3 1 908 95 VAL HG1 H 0.000 0.03 2 909 95 VAL C C 176.227 0.3 1 910 96 VAL N N 127.767 0.3 1 911 96 VAL H H 9.431 0.03 1 912 96 VAL CA C 58.234 0.3 1 913 96 VAL HA H 4.984 0.03 1 914 96 VAL CB C 35.755 0.3 1 915 96 VAL HB H 2.140 0.03 1 916 96 VAL CG2 C 21.380 0.3 1 917 96 VAL HG2 H 1.100 0.03 2 918 96 VAL CG1 C 20.270 0.3 1 919 96 VAL HG1 H 0.950 0.03 2 920 97 PRO HA H 4.792 0.03 1 921 97 PRO HB3 H 1.886 0.03 2 922 97 PRO HB2 H 2.003 0.03 2 923 97 PRO HG2 H 2.283 0.03 2 924 97 PRO HD3 H 4.239 0.03 2 925 98 TYR N N 126.968 0.3 1 926 98 TYR H H 8.140 0.03 1 927 98 TYR CA C 62.658 0.3 1 928 98 TYR HA H 3.704 0.03 1 929 98 TYR CB C 39.111 0.3 1 930 98 TYR HB3 H 2.971 0.03 2 931 98 TYR HB2 H 2.726 0.03 2 932 98 TYR HD1 H 6.897 0.03 3 933 98 TYR C C 177.549 0.3 1 934 99 SER N N 111.499 0.3 1 935 99 SER H H 9.154 0.03 1 936 99 SER CA C 61.800 0.3 1 937 99 SER HA H 4.091 0.03 1 938 99 SER CB C 62.448 0.3 1 939 99 SER HB3 H 4.019 0.03 2 940 99 SER HB2 H 3.967 0.03 2 941 99 SER C C 176.720 0.3 1 942 100 ILE N N 120.411 0.3 1 943 100 ILE H H 6.798 0.03 1 944 100 ILE CA C 63.076 0.3 1 945 100 ILE HA H 3.950 0.03 1 946 100 ILE CB C 37.276 0.3 1 947 100 ILE HB H 2.144 0.03 1 948 100 ILE CG1 C 28.297 0.3 2 949 100 ILE HG13 H 1.715 0.03 1 950 100 ILE HG12 H 1.455 0.03 1 951 100 ILE CD1 C 11.300 0.3 1 952 100 ILE HD1 H 0.950 0.03 1 953 100 ILE CG2 C 16.636 0.3 1 954 100 ILE HG2 H 0.960 0.03 1 955 100 ILE C C 178.364 0.3 1 956 101 LEU N N 121.543 0.3 1 957 101 LEU H H 7.424 0.03 1 958 101 LEU CA C 57.745 0.3 1 959 101 LEU HA H 4.082 0.03 1 960 101 LEU CB C 42.883 0.3 1 961 101 LEU HB3 H 1.539 0.03 2 962 101 LEU HB2 H 1.820 0.03 2 963 101 LEU CG C 26.359 0.3 1 964 101 LEU HG H 1.056 0.03 1 965 101 LEU HD1 H 0.986 0.03 2 966 101 LEU HD2 H 0.856 0.03 2 967 101 LEU C C 177.090 0.3 1 968 102 PHE N N 118.572 0.3 1 969 102 PHE H H 8.622 0.03 1 970 102 PHE CA C 60.762 0.3 1 971 102 PHE HA H 4.083 0.03 1 972 102 PHE CB C 39.135 0.3 1 973 102 PHE HB3 H 2.631 0.03 2 974 102 PHE HB2 H 2.200 0.03 2 975 102 PHE HD1 H 6.607 0.03 3 976 102 PHE HE1 H 6.795 0.03 3 977 102 PHE C C 177.097 0.3 1 978 103 ASN N N 116.167 0.3 1 979 103 ASN H H 7.927 0.03 1 980 103 ASN CA C 56.096 0.3 1 981 103 ASN HA H 4.075 0.03 1 982 103 ASN CB C 38.467 0.3 1 983 103 ASN HB3 H 2.851 0.03 2 984 103 ASN HB2 H 2.743 0.03 2 985 103 ASN ND2 N 111.646 0.3 1 986 103 ASN HD21 H 7.543 0.03 2 987 103 ASN HD22 H 6.938 0.03 2 988 103 ASN C C 177.030 0.3 1 989 104 LEU N N 121.260 0.3 1 990 104 LEU H H 7.806 0.03 1 991 104 LEU CA C 58.088 0.3 1 992 104 LEU HA H 4.093 0.03 1 993 104 LEU CB C 43.000 0.3 1 994 104 LEU HB3 H 1.620 0.03 2 995 104 LEU HB2 H 1.833 0.03 2 996 104 LEU CG C 29.282 0.3 1 997 104 LEU HG H 1.495 0.03 1 998 104 LEU CD1 C 23.528 0.3 1 999 104 LEU HD1 H 0.937 0.03 2 1000 104 LEU CD2 C 26.492 0.3 1 1001 104 LEU HD2 H 0.849 0.03 2 1002 104 LEU C C 178.146 0.3 1 1003 105 ALA N N 120.184 0.3 1 1004 105 ALA H H 8.110 0.03 1 1005 105 ALA CA C 55.390 0.3 1 1006 105 ALA HA H 3.835 0.03 1 1007 105 ALA CB C 18.580 0.3 1 1008 105 ALA HB H 1.384 0.03 1 1009 105 ALA C C 179.812 0.3 1 1010 106 ARG N N 116.733 0.3 1 1011 106 ARG H H 7.565 0.03 1 1012 106 ARG CA C 58.338 0.3 1 1013 106 ARG HA H 3.875 0.03 1 1014 106 ARG CB C 29.834 0.3 1 1015 106 ARG HB3 H 1.500 0.03 2 1016 106 ARG HB2 H 1.650 0.03 2 1017 106 ARG HG3 H 1.380 0.03 2 1018 106 ARG HG2 H 1.284 0.03 2 1019 106 ARG CD C 42.061 0.3 1 1020 106 ARG HD2 H 2.883 0.03 2 1021 106 ARG NE N 84.762 0.3 1 1022 106 ARG HE H 6.905 0.03 1 1023 106 ARG HH21 H 7.149 0.03 1 1024 106 ARG HH22 H 6.905 0.03 1 1025 107 ASP N N 120.650 0.3 1 1026 107 ASP H H 8.161 0.03 1 1027 107 ASP CA C 57.163 0.3 1 1028 107 ASP HA H 4.357 0.03 1 1029 107 ASP CB C 41.102 0.3 1 1030 107 ASP HB3 H 2.826 0.03 2 1031 107 ASP HB2 H 2.630 0.03 2 1032 107 ASP C C 178.527 0.3 1 1033 108 VAL N N 115.743 0.3 1 1034 108 VAL H H 8.250 0.03 1 1035 108 VAL CA C 63.305 0.3 1 1036 108 VAL HA H 4.067 0.03 1 1037 108 VAL CB C 32.261 0.3 1 1038 108 VAL HB H 2.180 0.03 1 1039 108 VAL CG2 C 21.624 0.3 1 1040 108 VAL HG2 H 1.003 0.03 2 1041 108 VAL HG1 H 0.842 0.03 2 1042 108 VAL C C 176.893 0.3 1 1043 109 GLY N N 110.650 0.3 1 1044 109 GLY H H 7.906 0.03 1 1045 109 GLY CA C 46.395 0.3 1 1046 109 GLY HA3 H 4.020 0.03 2 1047 109 GLY HA2 H 3.827 0.03 2 1048 109 GLY C C 174.921 0.3 1 1049 110 VAL N N 113.055 0.3 1 1050 110 VAL H H 7.679 0.03 1 1051 110 VAL CA C 60.277 0.3 1 1052 110 VAL HA H 4.537 0.03 1 1053 110 VAL CB C 34.377 0.3 1 1054 110 VAL HB H 2.365 0.03 1 1055 110 VAL CG2 C 22.236 0.3 1 1056 110 VAL HG2 H 0.954 0.03 2 1057 110 VAL CG1 C 18.960 0.3 1 1058 110 VAL HG1 H 0.857 0.03 2 1059 110 VAL C C 174.835 0.3 1 1060 111 ASP N N 118.122 0.3 1 1061 111 ASP H H 8.182 0.03 1 1062 111 ASP CA C 54.487 0.3 1 1063 111 ASP HA H 4.620 0.03 1 1064 111 ASP CB C 42.420 0.3 1 1065 111 ASP HB3 H 2.155 0.03 2 1066 111 ASP HB2 H 2.056 0.03 2 1067 111 ASP C C 175.958 0.3 1 1068 112 TRP N N 118.996 0.3 1 1069 112 TRP H H 8.250 0.03 1 1070 112 TRP CA C 58.148 0.3 1 1071 112 TRP HA H 4.857 0.03 1 1072 112 TRP CB C 31.178 0.3 1 1073 112 TRP HB3 H 3.415 0.03 2 1074 112 TRP HB2 H 3.280 0.03 2 1075 112 TRP CD1 C 128.368 0.3 4 1076 112 TRP HD1 H 7.267 0.03 1 1077 112 TRP NE1 N 128.934 0.3 1 1078 112 TRP HE1 H 10.098 0.03 4 1079 112 TRP HZ2 H 7.481 0.03 4 1080 112 TRP HH2 H 7.611 0.03 1 1081 112 TRP HZ3 H 7.120 0.03 4 1082 112 TRP HE3 H 7.736 0.03 4 1083 112 TRP C C 175.244 0.3 1 1084 113 ASP N N 118.713 0.3 1 1085 113 ASP H H 8.067 0.03 1 1086 113 ASP CA C 53.087 0.3 1 1087 113 ASP HA H 5.380 0.03 1 1088 113 ASP CB C 44.050 0.3 1 1089 113 ASP HB3 H 2.500 0.03 2 1090 113 ASP HB2 H 2.560 0.03 2 1091 113 ASP C C 173.425 0.3 1 1092 114 ILE N N 118.006 0.3 1 1093 114 ILE H H 8.820 0.03 1 1094 114 ILE CA C 60.757 0.3 1 1095 114 ILE HA H 4.629 0.03 1 1096 114 ILE CB C 42.692 0.3 1 1097 114 ILE HB H 1.621 0.03 1 1098 114 ILE CG1 C 25.170 0.3 2 1099 114 ILE HG13 H 1.541 0.03 1 1100 114 ILE CD1 C 15.400 0.3 1 1101 114 ILE HD1 H 0.770 0.03 1 1102 114 ILE CG2 C 11.930 0.3 1 1103 114 ILE HG2 H 0.200 0.03 1 1104 114 ILE C C 172.544 0.3 1 1105 115 ASP N N 121.967 0.3 1 1106 115 ASP H H 7.988 0.03 1 1107 115 ASP CA C 54.166 0.3 1 1108 115 ASP HA H 5.147 0.03 1 1109 115 ASP CB C 43.067 0.3 1 1110 115 ASP HB3 H 2.646 0.03 2 1111 115 ASP C C 174.454 0.3 1 1112 116 TYR N N 116.167 0.3 1 1113 116 TYR H H 8.439 0.03 1 1114 116 TYR CA C 56.330 0.3 1 1115 116 TYR HA H 5.628 0.03 1 1116 116 TYR CB C 43.072 0.3 1 1117 116 TYR HB3 H 2.513 0.03 2 1118 116 TYR HB2 H 2.333 0.03 2 1119 116 TYR HD1 H 6.521 0.03 3 1120 116 TYR HE1 H 6.666 0.03 3 1121 116 TYR C C 174.553 0.3 1 1122 117 GLU N N 120.598 0.3 1 1123 117 GLU H H 8.722 0.03 1 1124 117 GLU CA C 56.264 0.3 1 1125 117 GLU HA H 4.650 0.03 1 1126 117 GLU CB C 33.665 0.3 1 1127 117 GLU HB3 H 1.775 0.03 2 1128 117 GLU HB2 H 1.974 0.03 2 1129 117 GLU CG C 36.250 0.3 1 1130 117 GLU HG3 H 2.128 0.03 2 1131 117 GLU HG2 H 1.988 0.03 2 1132 117 GLU C C 174.326 0.3 1 1133 118 LEU N N 129.748 0.3 1 1134 118 LEU H H 9.493 0.03 1 1135 118 LEU CA C 53.653 0.3 1 1136 118 LEU HA H 5.530 0.03 1 1137 118 LEU CB C 46.429 0.3 1 1138 118 LEU HB3 H 2.080 0.03 2 1139 118 LEU HB2 H 1.610 0.03 2 1140 118 LEU CG C 27.649 0.3 1 1141 118 LEU CD1 C 23.450 0.3 1 1142 118 LEU HD1 H 0.688 0.03 2 1143 118 LEU CD2 C 23.245 0.3 1 1144 118 LEU HD2 H 0.904 0.03 2 1145 118 LEU C C 173.877 0.3 1 1146 119 GLN N N 125.262 0.3 1 1147 119 GLN H H 8.735 0.03 1 1148 119 GLN CA C 55.147 0.3 1 1149 119 GLN HA H 4.994 0.03 1 1150 119 GLN CB C 30.357 0.3 1 1151 119 GLN HB3 H 2.301 0.03 2 1152 119 GLN HB2 H 2.108 0.03 2 1153 119 GLN CG C 33.042 0.3 1 1154 119 GLN HG3 H 1.750 0.03 2 1155 119 GLN NE2 N 111.021 0.3 1 1156 119 GLN HE21 H 6.634 0.03 2 1157 119 GLN HE22 H 7.561 0.03 2 1158 119 GLN C C 174.862 0.3 1 1159 120 ILE N N 125.787 0.3 1 1160 120 ILE H H 9.422 0.03 1 1161 120 ILE CA C 59.353 0.3 1 1162 120 ILE HA H 5.101 0.03 1 1163 120 ILE CB C 41.902 0.3 1 1164 120 ILE HB H 1.787 0.03 1 1165 120 ILE CG1 C 26.500 0.3 2 1166 120 ILE CD1 C 17.378 0.3 1 1167 120 ILE HD1 H 0.827 0.03 1 1168 120 ILE CG2 C 15.003 0.3 1 1169 120 ILE HG2 H 0.564 0.03 1 1170 120 ILE C C 175.149 0.3 1 1171 121 GLY N N 116.026 0.3 1 1172 121 GLY H H 9.329 0.03 1 1173 121 GLY CA C 45.148 0.3 1 1174 121 GLY HA3 H 4.690 0.03 2 1175 121 GLY HA2 H 3.290 0.03 2 1176 121 GLY C C 172.227 0.3 1 1177 122 LEU N N 130.030 0.3 1 1178 122 LEU H H 8.814 0.03 1 1179 122 LEU CA C 54.197 0.3 1 1180 122 LEU HA H 4.940 0.03 1 1181 122 LEU CB C 43.756 0.3 1 1182 122 LEU HB3 H 2.080 0.03 2 1183 122 LEU HB2 H 1.260 0.03 2 1184 122 LEU HG H 1.553 0.03 1 1185 122 LEU CD1 C 27.090 0.3 1 1186 122 LEU HD1 H 0.802 0.03 2 1187 122 LEU CD2 C 26.652 0.3 1 1188 122 LEU C C 174.577 0.3 1 1189 123 THR N N 125.928 0.3 1 1190 123 THR H H 9.079 0.03 1 1191 123 THR CA C 62.930 0.3 1 1192 123 THR HA H 5.224 0.03 1 1193 123 THR CB C 68.990 0.3 1 1194 123 THR HB H 3.940 0.03 1 1195 123 THR CG2 C 22.297 0.3 1 1196 123 THR HG2 H 1.089 0.03 1 1197 123 THR C C 173.982 0.3 1 1198 124 ILE N N 123.099 0.3 1 1199 124 ILE H H 9.365 0.03 1 1200 124 ILE CA C 59.491 0.3 1 1201 124 ILE HA H 5.140 0.03 1 1202 124 ILE CB C 41.050 0.3 1 1203 124 ILE HB H 1.990 0.03 1 1204 124 ILE CG1 C 25.407 0.3 2 1205 124 ILE HG13 H 1.505 0.03 1 1206 124 ILE CD1 C 17.941 0.3 1 1207 124 ILE HD1 H 0.869 0.03 1 1208 124 ILE CG2 C 14.788 0.3 1 1209 124 ILE HG2 H 0.813 0.03 1 1210 124 ILE C C 172.696 0.3 1 1211 125 ASP N N 119.987 0.3 1 1212 125 ASP H H 7.512 0.03 1 1213 125 ASP CA C 52.853 0.3 1 1214 125 ASP HA H 4.822 0.03 1 1215 125 ASP CB C 42.415 0.3 1 1216 125 ASP HB3 H 2.703 0.03 2 1217 125 ASP HB2 H 2.450 0.03 2 1218 125 ASP C C 175.322 0.3 1 1219 126 LEU N N 124.675 0.3 1 1220 126 LEU H H 8.220 0.03 1 1221 126 LEU CA C 52.913 0.3 1 1222 126 LEU HA H 4.500 0.03 1 1223 126 LEU CB C 43.258 0.3 1 1224 126 LEU HB3 H 1.790 0.03 2 1225 126 LEU HB2 H 1.370 0.03 2 1226 126 LEU HG H 1.636 0.03 1 1227 126 LEU HD1 H 0.723 0.03 2 1228 126 LEU HD2 H 0.673 0.03 2 1229 127 PRO CA C 63.718 0.3 1 1230 127 PRO HA H 4.221 0.03 1 1231 127 PRO CB C 31.202 0.3 1 1232 127 PRO HB3 H 2.318 0.03 2 1233 127 PRO HB2 H 1.879 0.03 2 1234 127 PRO CG C 27.884 0.3 1 1235 127 PRO CD C 50.192 0.3 1 1236 127 PRO HD3 H 3.569 0.03 2 1237 127 PRO HD2 H 3.616 0.03 2 1238 127 PRO C C 178.254 0.3 1 1239 128 VAL N N 119.535 0.3 1 1240 128 VAL H H 8.930 0.03 1 1241 128 VAL CA C 69.420 0.3 1 1242 128 VAL HA H 3.189 0.03 1 1243 128 VAL CB C 30.339 0.3 1 1244 128 VAL HB H 2.740 0.03 1 1245 128 VAL CG2 C 21.643 0.3 1 1246 128 VAL HG2 H 0.896 0.03 2 1247 128 VAL C C 178.254 0.3 1 1248 129 VAL N N 118.996 0.3 1 1249 129 VAL H H 8.940 0.03 1 1250 129 VAL CA C 63.523 0.3 1 1251 129 VAL HA H 3.950 0.03 1 1252 129 VAL CB C 33.596 0.3 1 1253 129 VAL HB H 2.030 0.03 1 1254 129 VAL CG2 C 21.370 0.3 1 1255 129 VAL HG2 H 0.910 0.03 2 1256 129 VAL HG1 H 0.930 0.03 2 1257 129 VAL C C 177.012 0.3 1 1258 130 GLY N N 111.074 0.3 1 1259 130 GLY H H 8.136 0.03 1 1260 130 GLY CA C 44.952 0.3 1 1261 130 GLY HA3 H 4.173 0.03 2 1262 130 GLY HA2 H 3.947 0.03 2 1263 130 GLY C C 174.269 0.3 1 1264 131 GLU N N 123.382 0.3 1 1265 131 GLU H H 8.328 0.03 1 1266 131 GLU CA C 58.217 0.3 1 1267 131 GLU HA H 4.634 0.03 1 1268 131 GLU CB C 30.175 0.3 1 1269 131 GLU HB3 H 1.810 0.03 2 1270 131 GLU HB2 H 1.900 0.03 2 1271 131 GLU CG C 36.846 0.3 1 1272 131 GLU HG3 H 2.217 0.03 2 1273 131 GLU HG2 H 2.110 0.03 2 1274 131 GLU C C 177.293 0.3 1 1275 132 PHE N N 127.060 0.3 1 1276 132 PHE H H 9.264 0.03 1 1277 132 PHE CA C 58.192 0.3 1 1278 132 PHE HA H 4.647 0.03 1 1279 132 PHE CB C 44.011 0.3 1 1280 132 PHE HB3 H 3.080 0.03 2 1281 132 PHE HB2 H 2.775 0.03 2 1282 132 PHE HD1 H 7.135 0.03 3 1283 132 PHE HE1 H 7.069 0.03 3 1284 132 PHE C C 173.479 0.3 1 1285 133 THR N N 123.948 0.3 1 1286 133 THR H H 8.080 0.03 1 1287 133 THR CA C 62.224 0.3 1 1288 133 THR HA H 4.881 0.03 1 1289 133 THR CB C 69.787 0.3 1 1290 133 THR HB H 3.600 0.03 1 1291 133 THR CG2 C 21.360 0.3 1 1292 133 THR HG2 H 0.830 0.03 1 1293 133 THR C C 172.732 0.3 1 1294 134 ILE N N 128.474 0.3 1 1295 134 ILE H H 9.158 0.03 1 1296 134 ILE CA C 57.670 0.3 1 1297 134 ILE HA H 4.527 0.03 1 1298 134 ILE CB C 39.997 0.3 1 1299 134 ILE HB H 1.737 0.03 1 1300 134 ILE CG1 C 26.900 0.3 2 1301 134 ILE HG13 H 1.422 0.03 1 1302 134 ILE HG12 H 1.179 0.03 1 1303 134 ILE CD1 C 13.900 0.3 1 1304 134 ILE HD1 H 0.974 0.03 1 1305 134 ILE CG2 C 16.600 0.3 1 1306 134 ILE HG2 H 0.838 0.03 1 1307 135 PRO CA C 61.710 0.3 1 1308 135 PRO HA H 5.238 0.03 1 1309 135 PRO CB C 31.873 0.3 1 1310 135 PRO HB3 H 2.083 0.03 2 1311 135 PRO HB2 H 1.976 0.03 2 1312 135 PRO CG C 26.630 0.3 1 1313 135 PRO HG3 H 2.052 0.03 2 1314 135 PRO HG2 H 2.315 0.03 2 1315 135 PRO CD C 50.719 0.3 1 1316 135 PRO HD3 H 4.100 0.03 2 1317 135 PRO C C 177.218 0.3 1 1318 136 ILE N N 125.040 0.3 1 1319 136 ILE H H 9.055 0.03 1 1320 136 ILE CA C 61.001 0.3 1 1321 136 ILE HA H 4.400 0.03 1 1322 136 ILE CB C 41.678 0.3 1 1323 136 ILE HB H 1.491 0.03 1 1324 136 ILE CG1 C 27.135 0.3 2 1325 136 ILE HG13 H 1.599 0.03 1 1326 136 ILE CD1 C 17.617 0.3 1 1327 136 ILE HD1 H 0.773 0.03 1 1328 136 ILE CG2 C 15.008 0.3 1 1329 136 ILE HG2 H 0.629 0.03 1 1330 136 ILE C C 174.257 0.3 1 1331 137 SER N N 121.118 0.3 1 1332 137 SER H H 8.826 0.03 1 1333 137 SER CA C 56.717 0.3 1 1334 137 SER HA H 5.590 0.03 1 1335 137 SER CB C 66.498 0.3 1 1336 137 SER HB3 H 3.881 0.03 2 1337 137 SER C C 173.820 0.3 1 1338 138 SER N N 115.585 0.3 1 1339 138 SER H H 8.780 0.03 1 1340 138 SER CA C 57.844 0.3 1 1341 138 SER HA H 4.720 0.03 1 1342 138 SER CB C 65.484 0.3 1 1343 138 SER HB3 H 3.623 0.03 2 1344 138 SER HB2 H 3.885 0.03 2 1345 138 SER C C 171.942 0.3 1 1346 139 LYS N N 125.079 0.3 1 1347 139 LYS H H 8.264 0.03 1 1348 139 LYS CA C 54.994 0.3 1 1349 139 LYS HA H 4.489 0.03 1 1350 139 LYS CB C 36.061 0.3 1 1351 139 LYS HB3 H 1.600 0.03 2 1352 139 LYS HB2 H 1.719 0.03 2 1353 139 LYS CG C 24.517 0.3 1 1354 139 LYS HG3 H 1.378 0.03 2 1355 139 LYS HG2 H 1.256 0.03 2 1356 139 LYS CD C 29.464 0.3 1 1357 139 LYS HD3 H 1.552 0.03 2 1358 139 LYS CE C 41.897 0.3 1 1359 139 LYS HE3 H 2.843 0.03 2 1360 139 LYS C C 174.810 0.3 1 1361 140 GLY N N 109.094 0.3 1 1362 140 GLY H H 6.700 0.03 1 1363 140 GLY CA C 46.496 0.3 1 1364 140 GLY HA3 H 3.920 0.03 1 1365 140 GLY HA2 H 3.920 0.03 1 1366 140 GLY C C 171.982 0.3 1 1367 141 GLU N N 124.089 0.3 1 1368 141 GLU H H 8.823 0.03 1 1369 141 GLU CA C 55.589 0.3 1 1370 141 GLU HA H 5.400 0.03 1 1371 141 GLU CB C 33.543 0.3 1 1372 141 GLU HB3 H 2.202 0.03 2 1373 141 GLU HB2 H 1.917 0.03 2 1374 141 GLU CG C 35.980 0.3 1 1375 141 GLU HG3 H 1.630 0.03 2 1376 141 GLU HG2 H 2.180 0.03 2 1377 141 GLU C C 172.696 0.3 1 1378 142 ILE N N 116.733 0.3 1 1379 142 ILE H H 9.284 0.03 1 1380 142 ILE CA C 59.436 0.3 1 1381 142 ILE HA H 4.680 0.03 1 1382 142 ILE CB C 41.512 0.3 1 1383 142 ILE HB H 1.728 0.03 1 1384 142 ILE CG1 C 33.202 0.3 2 1385 142 ILE HG13 H 1.544 0.03 1 1386 142 ILE HG12 H 0.961 0.03 1 1387 142 ILE CD1 C 19.400 0.3 1 1388 142 ILE HD1 H 0.440 0.03 1 1389 142 ILE CG2 C 11.700 0.3 1 1390 142 ILE HG2 H 0.214 0.03 1 1391 142 ILE C C 175.133 0.3 1 1392 143 LYS N N 120.411 0.3 1 1393 143 LYS H H 8.339 0.03 1 1394 143 LYS CA C 55.255 0.3 1 1395 143 LYS HA H 4.579 0.03 1 1396 143 LYS CB C 33.172 0.3 1 1397 143 LYS HB3 H 1.780 0.03 2 1398 143 LYS HB2 H 1.609 0.03 2 1399 143 LYS CG C 24.534 0.3 1 1400 143 LYS CD C 28.429 0.3 1 1401 143 LYS CE C 42.272 0.3 1 1402 143 LYS HE3 H 2.811 0.03 2 1403 143 LYS C C 176.978 0.3 1 1404 144 LEU N N 123.240 0.3 1 1405 144 LEU H H 8.077 0.03 1 1406 144 LEU CA C 52.370 0.3 1 1407 144 LEU HA H 4.565 0.03 1 1408 144 LEU CB C 42.272 0.3 1 1409 144 LEU HB3 H 1.400 0.03 2 1410 144 LEU HB2 H 1.303 0.03 2 1411 144 LEU HD1 H 0.721 0.03 2 1412 144 LEU HD2 H 0.906 0.03 2 1413 145 PRO CA C 61.649 0.3 1 1414 145 PRO HA H 4.248 0.03 1 1415 145 PRO CB C 32.225 0.3 1 1416 145 PRO HB3 H 2.030 0.03 2 1417 145 PRO HB2 H 1.988 0.03 2 1418 145 PRO CG C 27.211 0.3 1 1419 145 PRO HG3 H 1.643 0.03 2 1420 145 PRO CD C 49.100 0.3 1 1421 145 PRO C C 174.577 0.3 1 1422 146 THR N N 115.177 0.3 1 1423 146 THR H H 8.403 0.03 1 1424 146 THR CA C 61.865 0.3 1 1425 146 THR HA H 4.102 0.03 1 1426 146 THR CB C 68.575 0.3 1 1427 146 THR HB H 4.120 0.03 1 1428 146 THR CG2 C 22.211 0.3 1 1429 146 THR HG2 H 1.180 0.03 1 1430 146 THR C C 174.957 0.3 1 1431 147 PHE N N 124.655 0.3 1 1432 147 PHE H H 7.881 0.03 1 1433 147 PHE CA C 59.403 0.3 1 1434 147 PHE HA H 4.631 0.03 1 1435 147 PHE CB C 39.098 0.3 1 1436 147 PHE HB3 H 2.930 0.03 2 1437 147 PHE HB2 H 3.265 0.03 2 1438 147 PHE CD1 C 133.446 0.3 3 1439 147 PHE HD1 H 7.345 0.03 3 1440 147 PHE HE1 H 6.901 0.03 3 1441 148 LYS N N 118.713 0.3 1 1442 148 LYS H H 8.216 0.03 1 1443 148 LYS CA C 57.181 0.3 1 1444 148 LYS HA H 4.065 0.03 1 1445 148 LYS CB C 33.040 0.3 1 1446 148 LYS HB3 H 1.633 0.03 2 1447 148 LYS HB2 H 1.320 0.03 2 1448 148 LYS CG C 24.351 0.3 1 1449 148 LYS HG3 H 1.160 0.03 2 1450 148 LYS HG2 H 1.655 0.03 2 1451 148 LYS CD C 29.190 0.3 1 1452 148 LYS CE C 42.104 0.3 1 1453 148 LYS HE3 H 2.925 0.03 2 1454 148 LYS C C 176.197 0.3 1 1455 149 ASP N N 119.138 0.3 1 1456 149 ASP H H 7.964 0.03 1 1457 149 ASP CA C 55.176 0.3 1 1458 149 ASP HA H 4.420 0.03 1 1459 149 ASP CB C 40.729 0.3 1 1460 149 ASP HB3 H 2.348 0.03 2 1461 149 ASP HB2 H 2.375 0.03 2 1462 149 ASP C C 175.708 0.3 1 1463 150 PHE N N 119.138 0.3 1 1464 150 PHE H H 7.857 0.03 1 1465 150 PHE CA C 57.636 0.3 1 1466 150 PHE HA H 4.456 0.03 1 1467 150 PHE CB C 39.813 0.3 1 1468 150 PHE HB3 H 2.903 0.03 2 1469 150 PHE HB2 H 2.860 0.03 2 1470 150 PHE HD1 H 7.070 0.03 3 1471 150 PHE HE1 H 7.184 0.03 3 1472 150 PHE C C 174.450 0.3 1 1473 151 PHE N N 125.504 0.3 1 1474 151 PHE H H 7.480 0.03 1 1475 151 PHE CA C 59.146 0.3 1 1476 151 PHE HA H 4.370 0.03 1 1477 151 PHE CB C 40.203 0.3 1 1478 151 PHE HB3 H 2.913 0.03 2 1479 151 PHE HB2 H 3.118 0.03 2 1480 151 PHE HD1 H 7.111 0.03 3 1481 151 PHE HE1 H 7.231 0.03 3 stop_ save_