data_25690 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the C-terminal region of human eukaryotic elongation factor 1B ; _BMRB_accession_number 25690 _BMRB_flat_file_name bmr25690.str _Entry_type original _Submission_date 2015-07-02 _Accession_date 2015-07-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wu Huiwen . . 2 Feng Yingang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 773 "13C chemical shifts" 579 "15N chemical shifts" 137 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-05-23 original BMRB . stop_ _Original_release_date 2016-05-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The C-terminal region of human eukaryotic elongation factor 1B delta ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26762120 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wu Huiwen . . 2 Gong Weibin . . 3 Wang Jinfeng . . 4 Perrett Sarah . . 5 Feng Yingang . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 64 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 181 _Page_last 187 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'eukaryotic elongation factor 1B monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 14893.776 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 133 _Mol_residue_sequence ; GPGSEDDDIDLFGSDNEEED KEAAQLREERLRQYAEKKAK KPALVAKSSILLDVKPWDDE TDMAQLEACVRSIQLDGLVW GASKLVPVGYGIRKLQIQCV VEDDKVGTDLLEEEITKFEE HVQSVDIAAFNKI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 149 GLY 2 150 PRO 3 151 GLY 4 152 SER 5 153 GLU 6 154 ASP 7 155 ASP 8 156 ASP 9 157 ILE 10 158 ASP 11 159 LEU 12 160 PHE 13 161 GLY 14 162 SER 15 163 ASP 16 164 ASN 17 165 GLU 18 166 GLU 19 167 GLU 20 168 ASP 21 169 LYS 22 170 GLU 23 171 ALA 24 172 ALA 25 173 GLN 26 174 LEU 27 175 ARG 28 176 GLU 29 177 GLU 30 178 ARG 31 179 LEU 32 180 ARG 33 181 GLN 34 182 TYR 35 183 ALA 36 184 GLU 37 185 LYS 38 186 LYS 39 187 ALA 40 188 LYS 41 189 LYS 42 190 PRO 43 191 ALA 44 192 LEU 45 193 VAL 46 194 ALA 47 195 LYS 48 196 SER 49 197 SER 50 198 ILE 51 199 LEU 52 200 LEU 53 201 ASP 54 202 VAL 55 203 LYS 56 204 PRO 57 205 TRP 58 206 ASP 59 207 ASP 60 208 GLU 61 209 THR 62 210 ASP 63 211 MET 64 212 ALA 65 213 GLN 66 214 LEU 67 215 GLU 68 216 ALA 69 217 CYS 70 218 VAL 71 219 ARG 72 220 SER 73 221 ILE 74 222 GLN 75 223 LEU 76 224 ASP 77 225 GLY 78 226 LEU 79 227 VAL 80 228 TRP 81 229 GLY 82 230 ALA 83 231 SER 84 232 LYS 85 233 LEU 86 234 VAL 87 235 PRO 88 236 VAL 89 237 GLY 90 238 TYR 91 239 GLY 92 240 ILE 93 241 ARG 94 242 LYS 95 243 LEU 96 244 GLN 97 245 ILE 98 246 GLN 99 247 CYS 100 248 VAL 101 249 VAL 102 250 GLU 103 251 ASP 104 252 ASP 105 253 LYS 106 254 VAL 107 255 GLY 108 256 THR 109 257 ASP 110 258 LEU 111 259 LEU 112 260 GLU 113 261 GLU 114 262 GLU 115 263 ILE 116 264 THR 117 265 LYS 118 266 PHE 119 267 GLU 120 268 GLU 121 269 HIS 122 270 VAL 123 271 GLN 124 272 SER 125 273 VAL 126 274 ASP 127 275 ILE 128 276 ALA 129 277 ALA 130 278 PHE 131 279 ASN 132 280 LYS 133 281 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli BL21(DE3) pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.8 mM '[U-13C; U-15N]' TRIS 20 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' DSS 0.01 '% w/v' 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_Felix _Saveframe_category software _Name Felix _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_SANE _Saveframe_category software _Name SANE _Version . loop_ _Vendor _Address _Electronic_address 'Duggan, Legge, Dyson & Wright' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHANH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_CCH-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-COSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 220 . mM pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . 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 C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCO' '3D HN(CA)CO' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HBHANH' '3D HCCH-TOCSY' '3D CCH-TOCSY' '3D CCH-COSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 150 2 PRO HA H 4.4870 0.02 1 2 150 2 PRO HB2 H 1.9960 0.02 2 3 150 2 PRO HB3 H 2.3060 0.02 2 4 150 2 PRO HG2 H 2.0200 0.02 2 5 150 2 PRO HG3 H 2.0200 0.02 2 6 150 2 PRO HD2 H 3.5940 0.02 2 7 150 2 PRO HD3 H 3.5940 0.02 2 8 150 2 PRO C C 177.5790 0.3 1 9 150 2 PRO CA C 63.5840 0.3 1 10 150 2 PRO CB C 32.1690 0.3 1 11 150 2 PRO CG C 27.1910 0.3 1 12 150 2 PRO CD C 49.7340 0.3 1 13 151 3 GLY H H 8.7730 0.02 1 14 151 3 GLY HA2 H 4.0100 0.02 2 15 151 3 GLY HA3 H 4.0100 0.02 2 16 151 3 GLY C C 174.9090 0.3 1 17 151 3 GLY CA C 45.3520 0.3 1 18 151 3 GLY N N 111.1960 0.2 1 19 152 4 SER H H 8.2440 0.02 1 20 152 4 SER HA H 4.5170 0.02 1 21 152 4 SER HB2 H 3.9200 0.02 2 22 152 4 SER HB3 H 3.8710 0.02 2 23 152 4 SER C C 174.3340 0.3 1 24 152 4 SER CA C 58.3110 0.3 1 25 152 4 SER CB C 64.0100 0.3 1 26 152 4 SER N N 115.9210 0.2 1 27 153 5 GLU H H 8.7220 0.02 1 28 153 5 GLU HA H 4.3220 0.02 1 29 153 5 GLU HB2 H 1.9300 0.02 2 30 153 5 GLU HB3 H 2.1010 0.02 2 31 153 5 GLU HG2 H 2.2860 0.02 2 32 153 5 GLU HG3 H 2.2860 0.02 2 33 153 5 GLU C C 176.5510 0.3 1 34 153 5 GLU CA C 57.1080 0.3 1 35 153 5 GLU CB C 29.8660 0.3 1 36 153 5 GLU CG C 36.5280 0.3 1 37 153 5 GLU N N 122.6970 0.2 1 38 154 6 ASP H H 8.2610 0.02 1 39 154 6 ASP HA H 4.5920 0.02 1 40 154 6 ASP HB2 H 2.5760 0.02 2 41 154 6 ASP HB3 H 2.7220 0.02 2 42 154 6 ASP C C 176.0810 0.3 1 43 154 6 ASP CA C 54.6420 0.3 1 44 154 6 ASP CB C 41.2530 0.3 1 45 154 6 ASP N N 120.3100 0.2 1 46 155 7 ASP H H 8.1600 0.02 1 47 155 7 ASP HA H 4.5930 0.02 1 48 155 7 ASP HB2 H 2.6450 0.02 2 49 155 7 ASP HB3 H 2.6450 0.02 2 50 155 7 ASP C C 176.0880 0.3 1 51 155 7 ASP CA C 54.5200 0.3 1 52 155 7 ASP CB C 41.0950 0.3 1 53 155 7 ASP N N 120.4500 0.2 1 54 156 8 ASP H H 8.2820 0.02 1 55 156 8 ASP HA H 4.5960 0.02 1 56 156 8 ASP HB2 H 2.6130 0.02 2 57 156 8 ASP HB3 H 2.7010 0.02 2 58 156 8 ASP C C 176.3050 0.3 1 59 156 8 ASP CA C 54.5660 0.3 1 60 156 8 ASP CB C 41.2000 0.3 1 61 156 8 ASP N N 120.6620 0.2 1 62 157 9 ILE H H 7.9220 0.02 1 63 157 9 ILE HA H 4.0970 0.02 1 64 157 9 ILE HB H 1.8490 0.02 1 65 157 9 ILE HG12 H 1.4240 0.02 2 66 157 9 ILE HG13 H 1.1530 0.02 2 67 157 9 ILE HG2 H 0.8580 0.02 1 68 157 9 ILE HD1 H 0.8560 0.02 1 69 157 9 ILE C C 175.9690 0.3 1 70 157 9 ILE CA C 61.5830 0.3 1 71 157 9 ILE CB C 39.0230 0.3 1 72 157 9 ILE CG1 C 27.3600 0.3 1 73 157 9 ILE CG2 C 17.5350 0.3 1 74 157 9 ILE CD1 C 13.3250 0.3 1 75 157 9 ILE N N 120.5430 0.2 1 76 158 10 ASP H H 8.3700 0.02 1 77 158 10 ASP HA H 4.5950 0.02 1 78 158 10 ASP HB2 H 2.5690 0.02 2 79 158 10 ASP HB3 H 2.6680 0.02 2 80 158 10 ASP C C 176.4160 0.3 1 81 158 10 ASP CA C 54.3530 0.3 1 82 158 10 ASP CB C 41.0600 0.3 1 83 158 10 ASP N N 123.9900 0.2 1 84 159 11 LEU H H 8.1000 0.02 1 85 159 11 LEU HA H 4.1920 0.02 1 86 159 11 LEU HB2 H 1.3950 0.02 2 87 159 11 LEU HB3 H 1.3060 0.02 2 88 159 11 LEU HG H 1.4500 0.02 1 89 159 11 LEU HD1 H 0.8320 0.02 2 90 159 11 LEU HD2 H 0.7560 0.02 2 91 159 11 LEU C C 177.4910 0.3 1 92 159 11 LEU CA C 55.5970 0.3 1 93 159 11 LEU CB C 41.9300 0.3 1 94 159 11 LEU CG C 26.8310 0.3 1 95 159 11 LEU CD1 C 24.8650 0.3 2 96 159 11 LEU CD2 C 23.4460 0.3 2 97 159 11 LEU N N 123.0710 0.2 1 98 160 12 PHE H H 8.2030 0.02 1 99 160 12 PHE HA H 4.6240 0.02 1 100 160 12 PHE HB2 H 3.2360 0.02 2 101 160 12 PHE HB3 H 3.0100 0.02 2 102 160 12 PHE HD1 H 7.2660 0.02 3 103 160 12 PHE HD2 H 7.2660 0.02 3 104 160 12 PHE C C 176.5730 0.3 1 105 160 12 PHE CA C 58.0000 0.3 1 106 160 12 PHE CB C 39.4560 0.3 1 107 160 12 PHE CD1 C 132.0250 0.3 3 108 160 12 PHE CD2 C 132.0250 0.3 3 109 160 12 PHE N N 119.6020 0.2 1 110 161 13 GLY H H 8.2520 0.02 1 111 161 13 GLY HA2 H 3.9610 0.02 2 112 161 13 GLY HA3 H 3.9610 0.02 2 113 161 13 GLY C C 174.2000 0.3 1 114 161 13 GLY CA C 45.5270 0.3 1 115 161 13 GLY N N 110.2530 0.2 1 116 162 14 SER H H 8.2640 0.02 1 117 162 14 SER HA H 4.5170 0.02 1 118 162 14 SER HB2 H 3.9000 0.02 2 119 162 14 SER HB3 H 3.9000 0.02 2 120 162 14 SER C C 174.3340 0.3 1 121 162 14 SER CA C 58.3370 0.3 1 122 162 14 SER CB C 64.0000 0.3 1 123 162 14 SER N N 115.6700 0.2 1 124 163 15 ASP H H 8.5060 0.02 1 125 163 15 ASP HA H 4.6470 0.02 1 126 163 15 ASP HB2 H 2.6420 0.02 2 127 163 15 ASP HB3 H 2.7070 0.02 2 128 163 15 ASP C C 176.0130 0.3 1 129 163 15 ASP CA C 54.5190 0.3 1 130 163 15 ASP CB C 41.0590 0.3 1 131 163 15 ASP N N 122.2000 0.2 1 132 164 16 ASN H H 8.3410 0.02 1 133 164 16 ASN HA H 4.7160 0.02 1 134 164 16 ASN HB2 H 2.7150 0.02 2 135 164 16 ASN HB3 H 2.8280 0.02 2 136 164 16 ASN HD21 H 6.9210 0.02 2 137 164 16 ASN HD22 H 7.6060 0.02 2 138 164 16 ASN C C 175.3420 0.3 1 139 164 16 ASN CA C 53.4620 0.3 1 140 164 16 ASN CB C 39.1870 0.3 1 141 164 16 ASN N N 118.8180 0.2 1 142 164 16 ASN ND2 N 113.1810 0.2 1 143 165 17 GLU H H 8.4580 0.02 1 144 165 17 GLU HA H 4.2700 0.02 1 145 165 17 GLU HB2 H 2.0790 0.02 2 146 165 17 GLU HB3 H 1.9590 0.02 2 147 165 17 GLU HG2 H 2.2690 0.02 2 148 165 17 GLU HG3 H 2.2690 0.02 2 149 165 17 GLU C C 176.8420 0.3 1 150 165 17 GLU CA C 57.1360 0.3 1 151 165 17 GLU CB C 30.2110 0.3 1 152 165 17 GLU CG C 36.4390 0.3 1 153 165 17 GLU N N 121.5750 0.2 1 154 166 18 GLU H H 8.4100 0.02 1 155 166 18 GLU HA H 4.2560 0.02 1 156 166 18 GLU HB2 H 1.9530 0.02 2 157 166 18 GLU HB3 H 2.0640 0.02 2 158 166 18 GLU HG2 H 2.2710 0.02 2 159 166 18 GLU HG3 H 2.2710 0.02 2 160 166 18 GLU C C 176.8420 0.3 1 161 166 18 GLU CA C 57.1000 0.3 1 162 166 18 GLU CB C 30.2360 0.3 1 163 166 18 GLU CG C 36.4260 0.3 1 164 166 18 GLU N N 121.3350 0.2 1 165 167 19 GLU H H 8.3540 0.02 1 166 167 19 GLU HA H 4.2270 0.02 1 167 167 19 GLU HB2 H 2.0600 0.02 2 168 167 19 GLU HB3 H 1.9590 0.02 2 169 167 19 GLU HG2 H 2.2610 0.02 2 170 167 19 GLU HG3 H 2.2610 0.02 2 171 167 19 GLU C C 176.5730 0.3 1 172 167 19 GLU CA C 57.0200 0.3 1 173 167 19 GLU CB C 30.5280 0.3 1 174 167 19 GLU CG C 36.4840 0.3 1 175 167 19 GLU N N 122.1170 0.2 1 176 168 20 ASP H H 8.3830 0.02 1 177 168 20 ASP HA H 4.6280 0.02 1 178 168 20 ASP HB2 H 2.7670 0.02 2 179 168 20 ASP HB3 H 2.7100 0.02 2 180 168 20 ASP C C 176.8000 0.3 1 181 168 20 ASP CA C 54.5200 0.3 1 182 168 20 ASP CB C 41.4180 0.3 1 183 168 20 ASP N N 122.0360 0.2 1 184 169 21 LYS H H 8.4090 0.02 1 185 169 21 LYS HA H 4.1460 0.02 1 186 169 21 LYS HB2 H 1.8740 0.02 2 187 169 21 LYS HB3 H 1.8740 0.02 2 188 169 21 LYS HG2 H 1.5180 0.02 2 189 169 21 LYS HG3 H 1.4370 0.02 2 190 169 21 LYS HD2 H 1.6900 0.02 2 191 169 21 LYS HD3 H 1.6900 0.02 2 192 169 21 LYS HE2 H 3.0080 0.02 2 193 169 21 LYS HE3 H 3.0080 0.02 2 194 169 21 LYS C C 178.3200 0.3 1 195 169 21 LYS CA C 58.3780 0.3 1 196 169 21 LYS CB C 32.5560 0.3 1 197 169 21 LYS CG C 24.8120 0.3 1 198 169 21 LYS CD C 29.2120 0.3 1 199 169 21 LYS CE C 42.3370 0.3 1 200 169 21 LYS N N 123.2090 0.2 1 201 170 22 GLU H H 8.3510 0.02 1 202 170 22 GLU HA H 4.1520 0.02 1 203 170 22 GLU HB2 H 2.0760 0.02 2 204 170 22 GLU HB3 H 2.0760 0.02 2 205 170 22 GLU HG2 H 2.2860 0.02 2 206 170 22 GLU HG3 H 2.2860 0.02 2 207 170 22 GLU C C 178.1630 0.3 1 208 170 22 GLU CA C 58.3180 0.3 1 209 170 22 GLU CB C 29.5250 0.3 1 210 170 22 GLU CG C 36.4900 0.3 1 211 170 22 GLU N N 120.5400 0.2 1 212 171 23 ALA H H 8.1240 0.02 1 213 171 23 ALA HA H 4.1650 0.02 1 214 171 23 ALA HB H 1.4740 0.02 1 215 171 23 ALA C C 180.0210 0.3 1 216 171 23 ALA CA C 54.3560 0.3 1 217 171 23 ALA CB C 18.4970 0.3 1 218 171 23 ALA N N 123.6220 0.2 1 219 172 24 ALA H H 8.2520 0.02 1 220 172 24 ALA HA H 4.1050 0.02 1 221 172 24 ALA HB H 1.4780 0.02 1 222 172 24 ALA C C 179.8200 0.3 1 223 172 24 ALA CA C 54.8240 0.3 1 224 172 24 ALA CB C 18.5680 0.3 1 225 172 24 ALA N N 121.9180 0.2 1 226 173 25 GLN H H 8.1050 0.02 1 227 173 25 GLN HA H 4.1520 0.02 1 228 173 25 GLN HB2 H 2.1580 0.02 2 229 173 25 GLN HB3 H 2.1580 0.02 2 230 173 25 GLN HG2 H 2.5050 0.02 2 231 173 25 GLN HG3 H 2.4150 0.02 2 232 173 25 GLN HE21 H 6.8630 0.02 2 233 173 25 GLN HE22 H 7.5970 0.02 2 234 173 25 GLN C C 178.2300 0.3 1 235 173 25 GLN CA C 58.2510 0.3 1 236 173 25 GLN CB C 28.3960 0.3 1 237 173 25 GLN CG C 34.0220 0.3 1 238 173 25 GLN N N 118.3830 0.2 1 239 173 25 GLN NE2 N 112.0690 0.2 1 240 174 26 LEU H H 7.9190 0.02 1 241 174 26 LEU HA H 4.2040 0.02 1 242 174 26 LEU HB2 H 1.7790 0.02 2 243 174 26 LEU HB3 H 1.6380 0.02 2 244 174 26 LEU HG H 1.6000 0.02 1 245 174 26 LEU HD1 H 0.9210 0.02 2 246 174 26 LEU HD2 H 0.8780 0.02 2 247 174 26 LEU C C 179.0140 0.3 1 248 174 26 LEU CA C 57.3130 0.3 1 249 174 26 LEU CB C 41.7320 0.3 1 250 174 26 LEU CG C 27.0130 0.3 1 251 174 26 LEU CD1 C 24.8340 0.3 2 252 174 26 LEU CD2 C 23.5950 0.3 2 253 174 26 LEU N N 121.0500 0.2 1 254 175 27 ARG H H 8.0170 0.02 1 255 175 27 ARG HA H 4.0510 0.02 1 256 175 27 ARG HB2 H 1.9230 0.02 2 257 175 27 ARG HB3 H 1.9230 0.02 2 258 175 27 ARG HG2 H 1.6040 0.02 2 259 175 27 ARG HG3 H 1.7270 0.02 2 260 175 27 ARG HD2 H 3.2190 0.02 2 261 175 27 ARG HD3 H 3.2190 0.02 2 262 175 27 ARG C C 178.1630 0.3 1 263 175 27 ARG CA C 59.1820 0.3 1 264 175 27 ARG CB C 30.1960 0.3 1 265 175 27 ARG CG C 27.5480 0.3 1 266 175 27 ARG CD C 43.4680 0.3 1 267 175 27 ARG N N 120.4040 0.2 1 268 176 28 GLU H H 8.1440 0.02 1 269 176 28 GLU HA H 4.0650 0.02 1 270 176 28 GLU HB2 H 2.0830 0.02 2 271 176 28 GLU HB3 H 1.9510 0.02 2 272 176 28 GLU HG2 H 2.2740 0.02 2 273 176 28 GLU HG3 H 2.2740 0.02 2 274 176 28 GLU C C 178.8280 0.3 1 275 176 28 GLU CA C 58.8030 0.3 1 276 176 28 GLU CB C 29.9400 0.3 1 277 176 28 GLU CG C 36.6340 0.3 1 278 176 28 GLU N N 119.1510 0.2 1 279 177 29 GLU H H 8.1560 0.02 1 280 177 29 GLU HA H 4.1390 0.02 1 281 177 29 GLU HB2 H 1.9070 0.02 2 282 177 29 GLU HB3 H 1.9070 0.02 2 283 177 29 GLU HG2 H 2.2850 0.02 2 284 177 29 GLU HG3 H 2.2850 0.02 2 285 177 29 GLU C C 178.5660 0.3 1 286 177 29 GLU CA C 58.9030 0.3 1 287 177 29 GLU CB C 29.5590 0.3 1 288 177 29 GLU CG C 36.4520 0.3 1 289 177 29 GLU N N 120.4450 0.2 1 290 178 30 ARG H H 8.1580 0.02 1 291 178 30 ARG HA H 4.1260 0.02 1 292 178 30 ARG HB2 H 1.9150 0.02 2 293 178 30 ARG HB3 H 1.9150 0.02 2 294 178 30 ARG HG2 H 1.7440 0.02 2 295 178 30 ARG HG3 H 1.6130 0.02 2 296 178 30 ARG HD2 H 3.2250 0.02 2 297 178 30 ARG HD3 H 3.2250 0.02 2 298 178 30 ARG C C 178.6560 0.3 1 299 178 30 ARG CA C 58.9030 0.3 1 300 178 30 ARG CB C 29.5590 0.3 1 301 178 30 ARG CG C 27.5530 0.3 1 302 178 30 ARG CD C 43.4800 0.3 1 303 178 30 ARG N N 120.1300 0.2 1 304 179 31 LEU H H 8.0770 0.02 1 305 179 31 LEU HA H 4.1930 0.02 1 306 179 31 LEU HB2 H 1.8390 0.02 2 307 179 31 LEU HB3 H 1.6170 0.02 2 308 179 31 LEU HG H 1.6000 0.02 1 309 179 31 LEU HD1 H 0.9210 0.02 2 310 179 31 LEU HD2 H 0.8750 0.02 2 311 179 31 LEU C C 179.3500 0.3 1 312 179 31 LEU CA C 57.3610 0.3 1 313 179 31 LEU CB C 41.8310 0.3 1 314 179 31 LEU CG C 26.9920 0.3 1 315 179 31 LEU CD1 C 24.9470 0.3 2 316 179 31 LEU CD2 C 23.4140 0.3 2 317 179 31 LEU N N 120.1500 0.2 1 318 180 32 ARG H H 8.0130 0.02 1 319 180 32 ARG HA H 4.1640 0.02 1 320 180 32 ARG HB2 H 1.9240 0.02 2 321 180 32 ARG HB3 H 1.9240 0.02 2 322 180 32 ARG HG2 H 1.7630 0.02 2 323 180 32 ARG HG3 H 1.5930 0.02 2 324 180 32 ARG HD2 H 3.2190 0.02 2 325 180 32 ARG HD3 H 3.2190 0.02 2 326 180 32 ARG C C 178.2020 0.3 1 327 180 32 ARG CA C 58.2430 0.3 1 328 180 32 ARG CB C 30.1760 0.3 1 329 180 32 ARG CG C 27.5630 0.3 1 330 180 32 ARG CD C 43.5880 0.3 1 331 180 32 ARG N N 120.7940 0.2 1 332 181 33 GLN H H 8.1430 0.02 1 333 181 33 GLN HA H 4.1490 0.02 1 334 181 33 GLN HB2 H 2.0810 0.02 2 335 181 33 GLN HB3 H 1.9460 0.02 2 336 181 33 GLN HG2 H 2.2720 0.02 2 337 181 33 GLN HG3 H 2.2720 0.02 2 338 181 33 GLN HE21 H 6.8240 0.02 2 339 181 33 GLN HE22 H 7.5770 0.02 2 340 181 33 GLN C C 177.6030 0.3 1 341 181 33 GLN CA C 57.7760 0.3 1 342 181 33 GLN CB C 29.9260 0.3 1 343 181 33 GLN CG C 36.4730 0.3 1 344 181 33 GLN N N 119.1400 0.2 1 345 181 33 GLN NE2 N 111.9640 0.2 1 346 182 34 TYR H H 8.0990 0.02 1 347 182 34 TYR HA H 4.4320 0.02 1 348 182 34 TYR HB2 H 3.1640 0.02 2 349 182 34 TYR HB3 H 3.0920 0.02 2 350 182 34 TYR HD1 H 7.1460 0.02 3 351 182 34 TYR HD2 H 7.1460 0.02 3 352 182 34 TYR HE1 H 6.8200 0.02 3 353 182 34 TYR HE2 H 6.8200 0.02 3 354 182 34 TYR C C 176.8390 0.3 1 355 182 34 TYR CA C 59.5670 0.3 1 356 182 34 TYR CB C 38.4110 0.3 1 357 182 34 TYR CD1 C 132.9000 0.3 3 358 182 34 TYR CD2 C 132.9000 0.3 3 359 182 34 TYR CE1 C 118.1160 0.3 3 360 182 34 TYR CE2 C 118.1160 0.3 3 361 182 34 TYR N N 120.1220 0.2 1 362 183 35 ALA H H 8.0370 0.02 1 363 183 35 ALA HA H 4.1450 0.02 1 364 183 35 ALA HB H 1.4810 0.02 1 365 183 35 ALA C C 179.0590 0.3 1 366 183 35 ALA CA C 53.9220 0.3 1 367 183 35 ALA CB C 18.8040 0.3 1 368 183 35 ALA N N 123.1020 0.2 1 369 184 36 GLU H H 8.1420 0.02 1 370 184 36 GLU HA H 4.1360 0.02 1 371 184 36 GLU HB2 H 2.0800 0.02 2 372 184 36 GLU HB3 H 2.0800 0.02 2 373 184 36 GLU HG2 H 2.2720 0.02 2 374 184 36 GLU HG3 H 2.2720 0.02 2 375 184 36 GLU C C 177.6260 0.3 1 376 184 36 GLU CA C 57.8180 0.3 1 377 184 36 GLU CB C 30.0450 0.3 1 378 184 36 GLU CG C 36.5150 0.3 1 379 184 36 GLU N N 119.1510 0.2 1 380 185 37 LYS H H 8.0170 0.02 1 381 185 37 LYS HA H 4.1710 0.02 1 382 185 37 LYS HB2 H 1.8560 0.02 2 383 185 37 LYS HB3 H 1.8560 0.02 2 384 185 37 LYS HG2 H 1.5050 0.02 2 385 185 37 LYS HG3 H 1.4230 0.02 2 386 185 37 LYS HD2 H 1.6890 0.02 2 387 185 37 LYS HD3 H 1.6890 0.02 2 388 185 37 LYS HE2 H 3.0000 0.02 2 389 185 37 LYS HE3 H 3.0000 0.02 2 390 185 37 LYS C C 177.4700 0.3 1 391 185 37 LYS CA C 58.6020 0.3 1 392 185 37 LYS CB C 32.8260 0.3 1 393 185 37 LYS CG C 24.8260 0.3 1 394 185 37 LYS CD C 29.0650 0.3 1 395 185 37 LYS CE C 42.3380 0.3 1 396 185 37 LYS N N 120.8900 0.2 1 397 186 38 LYS H H 8.0180 0.02 1 398 186 38 LYS HA H 4.1910 0.02 1 399 186 38 LYS HB2 H 1.7050 0.02 2 400 186 38 LYS HB3 H 1.7930 0.02 2 401 186 38 LYS HG2 H 1.4290 0.02 2 402 186 38 LYS HG3 H 1.5190 0.02 2 403 186 38 LYS HD2 H 1.6840 0.02 2 404 186 38 LYS HD3 H 1.6840 0.02 2 405 186 38 LYS HE2 H 3.0000 0.02 2 406 186 38 LYS HE3 H 3.0000 0.02 2 407 186 38 LYS C C 176.6530 0.3 1 408 186 38 LYS CA C 57.6250 0.3 1 409 186 38 LYS CB C 32.7670 0.3 1 410 186 38 LYS CG C 24.7130 0.3 1 411 186 38 LYS CD C 29.1120 0.3 1 412 186 38 LYS CE C 42.0990 0.3 1 413 186 38 LYS N N 120.8900 0.2 1 414 187 39 ALA H H 7.9790 0.02 1 415 187 39 ALA HA H 4.2570 0.02 1 416 187 39 ALA HB H 1.3990 0.02 1 417 187 39 ALA C C 177.6700 0.3 1 418 187 39 ALA CA C 52.5820 0.3 1 419 187 39 ALA CB C 19.2110 0.3 1 420 187 39 ALA N N 123.7400 0.2 1 421 188 40 LYS H H 8.0860 0.02 1 422 188 40 LYS HA H 4.2830 0.02 1 423 188 40 LYS HB2 H 1.8210 0.02 2 424 188 40 LYS HB3 H 1.7340 0.02 2 425 188 40 LYS HG2 H 1.4390 0.02 2 426 188 40 LYS HG3 H 1.4390 0.02 2 427 188 40 LYS HD2 H 1.6780 0.02 2 428 188 40 LYS HD3 H 1.6780 0.02 2 429 188 40 LYS HE2 H 2.9980 0.02 2 430 188 40 LYS HE3 H 2.9980 0.02 2 431 188 40 LYS C C 176.3900 0.3 1 432 188 40 LYS CA C 56.2750 0.3 1 433 188 40 LYS CB C 33.1100 0.3 1 434 188 40 LYS CG C 24.7980 0.3 1 435 188 40 LYS CD C 29.0590 0.3 1 436 188 40 LYS CE C 42.4090 0.3 1 437 188 40 LYS N N 120.5350 0.2 1 438 189 41 LYS H H 8.2730 0.02 1 439 189 41 LYS HA H 4.5820 0.02 1 440 189 41 LYS HB2 H 1.8300 0.02 2 441 189 41 LYS HB3 H 1.8300 0.02 2 442 189 41 LYS HG2 H 1.5160 0.02 2 443 189 41 LYS HG3 H 1.4440 0.02 2 444 189 41 LYS HD2 H 1.6840 0.02 2 445 189 41 LYS HD3 H 1.6840 0.02 2 446 189 41 LYS HE2 H 3.0120 0.02 2 447 189 41 LYS HE3 H 3.0120 0.02 2 448 189 41 LYS C C 174.4680 0.3 1 449 189 41 LYS CA C 54.3100 0.3 1 450 189 41 LYS CB C 32.6370 0.3 1 451 189 41 LYS CG C 24.9780 0.3 1 452 189 41 LYS CD C 29.2010 0.3 1 453 189 41 LYS CE C 42.2220 0.3 1 454 189 41 LYS N N 124.4240 0.2 1 455 190 42 PRO HA H 4.3910 0.02 1 456 190 42 PRO HB2 H 1.8830 0.02 2 457 190 42 PRO HB3 H 2.2910 0.02 2 458 190 42 PRO HG2 H 2.0280 0.02 2 459 190 42 PRO HG3 H 2.0280 0.02 2 460 190 42 PRO HD2 H 3.8200 0.02 2 461 190 42 PRO HD3 H 3.6360 0.02 2 462 190 42 PRO C C 176.4620 0.3 1 463 190 42 PRO CA C 63.0200 0.3 1 464 190 42 PRO CB C 32.0700 0.3 1 465 190 42 PRO CG C 27.3430 0.3 1 466 190 42 PRO CD C 50.8190 0.3 1 467 191 43 ALA H H 8.3790 0.02 1 468 191 43 ALA HA H 4.2870 0.02 1 469 191 43 ALA HB H 1.3690 0.02 1 470 191 43 ALA C C 177.5380 0.3 1 471 191 43 ALA CA C 52.3580 0.3 1 472 191 43 ALA CB C 19.1690 0.3 1 473 191 43 ALA N N 124.6100 0.2 1 474 192 44 LEU H H 8.2130 0.02 1 475 192 44 LEU HA H 4.3700 0.02 1 476 192 44 LEU HB2 H 1.6170 0.02 2 477 192 44 LEU HB3 H 1.6170 0.02 2 478 192 44 LEU HG H 1.5910 0.02 1 479 192 44 LEU HD1 H 0.9250 0.02 2 480 192 44 LEU HD2 H 0.8670 0.02 2 481 192 44 LEU C C 176.9460 0.3 1 482 192 44 LEU CA C 54.9250 0.3 1 483 192 44 LEU CB C 42.3560 0.3 1 484 192 44 LEU CG C 26.9840 0.3 1 485 192 44 LEU CD1 C 24.8860 0.3 2 486 192 44 LEU CD2 C 23.5960 0.3 2 487 192 44 LEU N N 122.1900 0.2 1 488 193 45 VAL H H 8.0980 0.02 1 489 193 45 VAL HA H 4.1180 0.02 1 490 193 45 VAL HB H 2.0170 0.02 1 491 193 45 VAL HG1 H 0.9010 0.02 2 492 193 45 VAL HG2 H 0.9010 0.02 2 493 193 45 VAL C C 175.1410 0.3 1 494 193 45 VAL CA C 61.6160 0.3 1 495 193 45 VAL CB C 33.3290 0.3 1 496 193 45 VAL CG1 C 20.8360 0.3 2 497 193 45 VAL CG2 C 20.8360 0.3 2 498 193 45 VAL N N 122.2170 0.2 1 499 194 46 ALA H H 8.4620 0.02 1 500 194 46 ALA HA H 4.3870 0.02 1 501 194 46 ALA HB H 1.4370 0.02 1 502 194 46 ALA C C 177.1490 0.3 1 503 194 46 ALA CA C 52.6110 0.3 1 504 194 46 ALA CB C 19.1560 0.3 1 505 194 46 ALA N N 129.9280 0.2 1 506 195 47 LYS H H 8.6570 0.02 1 507 195 47 LYS HA H 5.4770 0.02 1 508 195 47 LYS HB2 H 1.5690 0.02 2 509 195 47 LYS HB3 H 1.6460 0.02 2 510 195 47 LYS HG2 H 1.2330 0.02 2 511 195 47 LYS HG3 H 1.4410 0.02 2 512 195 47 LYS HD2 H 1.5250 0.02 2 513 195 47 LYS HD3 H 1.5250 0.02 2 514 195 47 LYS HE2 H 2.7860 0.02 2 515 195 47 LYS HE3 H 2.7860 0.02 2 516 195 47 LYS C C 176.4170 0.3 1 517 195 47 LYS CA C 55.4360 0.3 1 518 195 47 LYS CB C 37.6880 0.3 1 519 195 47 LYS CG C 25.7840 0.3 1 520 195 47 LYS CD C 29.6500 0.3 1 521 195 47 LYS CE C 42.2420 0.3 1 522 195 47 LYS N N 123.7350 0.2 1 523 196 48 SER H H 8.8570 0.02 1 524 196 48 SER HA H 5.1080 0.02 1 525 196 48 SER HB2 H 3.1730 0.02 2 526 196 48 SER HB3 H 3.3340 0.02 2 527 196 48 SER C C 171.8880 0.3 1 528 196 48 SER CA C 58.2470 0.3 1 529 196 48 SER CB C 65.7250 0.3 1 530 196 48 SER N N 115.8380 0.2 1 531 197 49 SER H H 9.1350 0.02 1 532 197 49 SER HA H 5.2230 0.02 1 533 197 49 SER HB2 H 3.6750 0.02 2 534 197 49 SER HB3 H 3.7190 0.02 2 535 197 49 SER C C 174.1140 0.3 1 536 197 49 SER CA C 55.9940 0.3 1 537 197 49 SER CB C 64.1100 0.3 1 538 197 49 SER N N 118.0570 0.2 1 539 198 50 ILE H H 9.0310 0.02 1 540 198 50 ILE HA H 4.7410 0.02 1 541 198 50 ILE HB H 1.8130 0.02 1 542 198 50 ILE HG12 H 0.8330 0.02 2 543 198 50 ILE HG13 H 1.3180 0.02 2 544 198 50 ILE HG2 H 0.8870 0.02 1 545 198 50 ILE HD1 H 0.6030 0.02 1 546 198 50 ILE C C 173.8180 0.3 1 547 198 50 ILE CA C 60.4800 0.3 1 548 198 50 ILE CB C 40.8780 0.3 1 549 198 50 ILE CG1 C 27.2820 0.3 1 550 198 50 ILE CG2 C 18.5820 0.3 1 551 198 50 ILE CD1 C 14.2800 0.3 1 552 198 50 ILE N N 127.6650 0.2 1 553 199 51 LEU H H 8.7520 0.02 1 554 199 51 LEU HA H 5.0260 0.02 1 555 199 51 LEU HB2 H 1.8500 0.02 2 556 199 51 LEU HB3 H 1.3410 0.02 2 557 199 51 LEU HG H 1.2400 0.02 1 558 199 51 LEU HD1 H 0.7400 0.02 2 559 199 51 LEU HD2 H 0.8020 0.02 2 560 199 51 LEU C C 175.2340 0.3 1 561 199 51 LEU CA C 53.5140 0.3 1 562 199 51 LEU CB C 45.5200 0.3 1 563 199 51 LEU CG C 27.0210 0.3 1 564 199 51 LEU CD1 C 25.2700 0.3 2 565 199 51 LEU CD2 C 23.8900 0.3 2 566 199 51 LEU N N 128.9450 0.2 1 567 200 52 LEU H H 9.3500 0.02 1 568 200 52 LEU HA H 5.0380 0.02 1 569 200 52 LEU HB2 H 1.9710 0.02 2 570 200 52 LEU HB3 H 1.2320 0.02 2 571 200 52 LEU HG H 1.6690 0.02 1 572 200 52 LEU HD1 H 0.7520 0.02 2 573 200 52 LEU HD2 H 0.9880 0.02 2 574 200 52 LEU C C 174.5810 0.3 1 575 200 52 LEU CA C 54.2320 0.3 1 576 200 52 LEU CB C 44.7020 0.3 1 577 200 52 LEU CG C 27.1330 0.3 1 578 200 52 LEU CD1 C 25.4500 0.3 2 579 200 52 LEU CD2 C 27.1330 0.3 2 580 200 52 LEU N N 127.1460 0.2 1 581 201 53 ASP H H 8.9720 0.02 1 582 201 53 ASP HA H 5.5140 0.02 1 583 201 53 ASP HB2 H 2.2340 0.02 2 584 201 53 ASP HB3 H 2.6570 0.02 2 585 201 53 ASP C C 175.7790 0.3 1 586 201 53 ASP CA C 52.5030 0.3 1 587 201 53 ASP CB C 43.7260 0.3 1 588 201 53 ASP N N 121.5280 0.2 1 589 202 54 VAL H H 9.8150 0.02 1 590 202 54 VAL HA H 4.5360 0.02 1 591 202 54 VAL HB H 2.2390 0.02 1 592 202 54 VAL HG1 H 0.9030 0.02 2 593 202 54 VAL HG2 H 0.8030 0.02 2 594 202 54 VAL C C 174.7360 0.3 1 595 202 54 VAL CA C 61.2860 0.3 1 596 202 54 VAL CB C 32.5290 0.3 1 597 202 54 VAL CG1 C 21.5370 0.3 2 598 202 54 VAL CG2 C 20.3230 0.3 2 599 202 54 VAL N N 125.5570 0.2 1 600 203 55 LYS H H 8.7520 0.02 1 601 203 55 LYS HA H 4.8180 0.02 1 602 203 55 LYS HB2 H 1.8220 0.02 2 603 203 55 LYS HB3 H 1.7170 0.02 2 604 203 55 LYS HG2 H 1.3640 0.02 2 605 203 55 LYS HG3 H 1.2950 0.02 2 606 203 55 LYS HD2 H 1.5240 0.02 2 607 203 55 LYS HD3 H 1.5240 0.02 2 608 203 55 LYS HE2 H 3.0000 0.02 2 609 203 55 LYS HE3 H 3.0000 0.02 2 610 203 55 LYS C C 174.1910 0.3 1 611 203 55 LYS CA C 53.7570 0.3 1 612 203 55 LYS CB C 32.6700 0.3 1 613 203 55 LYS CG C 24.7890 0.3 1 614 203 55 LYS CD C 29.1130 0.3 1 615 203 55 LYS CE C 42.2250 0.3 1 616 203 55 LYS N N 128.3210 0.2 1 617 204 56 PRO HA H 5.4540 0.02 1 618 204 56 PRO HB2 H 2.5930 0.02 2 619 204 56 PRO HB3 H 2.2170 0.02 2 620 204 56 PRO HG2 H 1.8120 0.02 2 621 204 56 PRO HG3 H 2.6390 0.02 2 622 204 56 PRO HD2 H 3.6400 0.02 2 623 204 56 PRO HD3 H 3.8150 0.02 2 624 204 56 PRO C C 176.6770 0.3 1 625 204 56 PRO CA C 61.3900 0.3 1 626 204 56 PRO CB C 33.9200 0.3 1 627 204 56 PRO CG C 26.7610 0.3 1 628 204 56 PRO CD C 51.2600 0.3 1 629 205 57 TRP H H 6.8700 0.02 1 630 205 57 TRP HA H 4.2690 0.02 1 631 205 57 TRP HB2 H 2.8300 0.02 2 632 205 57 TRP HB3 H 3.3120 0.02 2 633 205 57 TRP HD1 H 6.9240 0.02 1 634 205 57 TRP HE1 H 9.5650 0.02 1 635 205 57 TRP HE3 H 7.6250 0.02 1 636 205 57 TRP HZ2 H 7.6050 0.02 1 637 205 57 TRP HZ3 H 7.2030 0.02 1 638 205 57 TRP HH2 H 7.3330 0.02 1 639 205 57 TRP C C 176.6970 0.3 1 640 205 57 TRP CA C 60.6950 0.3 1 641 205 57 TRP CB C 30.5860 0.3 1 642 205 57 TRP CD1 C 126.9540 0.3 1 643 205 57 TRP CE3 C 120.0780 0.3 1 644 205 57 TRP CZ2 C 116.1800 0.3 1 645 205 57 TRP CZ3 C 122.3110 0.3 1 646 205 57 TRP CH2 C 124.6150 0.3 1 647 205 57 TRP N N 117.3270 0.2 1 648 205 57 TRP NE1 N 129.9590 0.2 1 649 206 58 ASP H H 8.1650 0.02 1 650 206 58 ASP HA H 4.6050 0.02 1 651 206 58 ASP HB2 H 3.0710 0.02 2 652 206 58 ASP HB3 H 3.1740 0.02 2 653 206 58 ASP C C 175.6080 0.3 1 654 206 58 ASP CA C 54.1410 0.3 1 655 206 58 ASP CB C 41.3120 0.3 1 656 206 58 ASP N N 113.2310 0.2 1 657 207 59 ASP H H 8.8680 0.02 1 658 207 59 ASP HA H 4.3510 0.02 1 659 207 59 ASP HB2 H 2.6150 0.02 2 660 207 59 ASP HB3 H 2.9490 0.02 2 661 207 59 ASP C C 176.2300 0.3 1 662 207 59 ASP CA C 55.4250 0.3 1 663 207 59 ASP CB C 40.0160 0.3 1 664 207 59 ASP N N 115.4300 0.2 1 665 208 60 GLU H H 8.7760 0.02 1 666 208 60 GLU HA H 4.4420 0.02 1 667 208 60 GLU HB2 H 2.2000 0.02 2 668 208 60 GLU HB3 H 2.0160 0.02 2 669 208 60 GLU HG2 H 2.1780 0.02 2 670 208 60 GLU HG3 H 2.1780 0.02 2 671 208 60 GLU C C 177.5220 0.3 1 672 208 60 GLU CA C 55.9840 0.3 1 673 208 60 GLU CB C 30.4940 0.3 1 674 208 60 GLU CG C 36.7920 0.3 1 675 208 60 GLU N N 120.0670 0.2 1 676 209 61 THR H H 7.7250 0.02 1 677 209 61 THR HA H 4.1690 0.02 1 678 209 61 THR HB H 4.1360 0.02 1 679 209 61 THR HG2 H 1.6910 0.02 1 680 209 61 THR C C 174.2070 0.3 1 681 209 61 THR CA C 64.7220 0.3 1 682 209 61 THR CB C 70.0120 0.3 1 683 209 61 THR CG2 C 23.5490 0.3 1 684 209 61 THR N N 120.5880 0.2 1 685 210 62 ASP H H 9.2620 0.02 1 686 210 62 ASP HA H 4.5790 0.02 1 687 210 62 ASP HB2 H 3.0330 0.02 2 688 210 62 ASP HB3 H 2.6960 0.02 2 689 210 62 ASP C C 176.3390 0.3 1 690 210 62 ASP CA C 54.0420 0.3 1 691 210 62 ASP CB C 40.8940 0.3 1 692 210 62 ASP N N 127.9780 0.2 1 693 211 63 MET H H 8.8580 0.02 1 694 211 63 MET HA H 4.5900 0.02 1 695 211 63 MET HB2 H 2.0600 0.02 2 696 211 63 MET HB3 H 2.0600 0.02 2 697 211 63 MET HG2 H 2.7910 0.02 2 698 211 63 MET HG3 H 2.6440 0.02 2 699 211 63 MET HE H 1.8510 0.02 1 700 211 63 MET C C 180.4330 0.3 1 701 211 63 MET CA C 55.4600 0.3 1 702 211 63 MET CB C 29.1620 0.3 1 703 211 63 MET CG C 32.5900 0.3 1 704 211 63 MET CE C 16.7360 0.3 1 705 211 63 MET N N 125.8960 0.2 1 706 212 64 ALA H H 8.3660 0.02 1 707 212 64 ALA HA H 4.2760 0.02 1 708 212 64 ALA HB H 1.5040 0.02 1 709 212 64 ALA C C 181.1020 0.3 1 710 212 64 ALA CA C 55.2270 0.3 1 711 212 64 ALA CB C 17.5210 0.3 1 712 212 64 ALA N N 126.3740 0.2 1 713 213 65 GLN H H 7.8550 0.02 1 714 213 65 GLN HA H 3.9230 0.02 1 715 213 65 GLN HB2 H 1.7340 0.02 2 716 213 65 GLN HB3 H 1.8370 0.02 2 717 213 65 GLN HG2 H 2.2240 0.02 2 718 213 65 GLN HG3 H 2.2240 0.02 2 719 213 65 GLN HE21 H 7.4670 0.02 2 720 213 65 GLN HE22 H 6.9320 0.02 2 721 213 65 GLN C C 178.1140 0.3 1 722 213 65 GLN CA C 58.1830 0.3 1 723 213 65 GLN CB C 28.2790 0.3 1 724 213 65 GLN CG C 33.7170 0.3 1 725 213 65 GLN N N 121.0140 0.2 1 726 213 65 GLN NE2 N 112.7540 0.2 1 727 214 66 LEU H H 8.1920 0.02 1 728 214 66 LEU HA H 3.3450 0.02 1 729 214 66 LEU HB2 H 1.7950 0.02 2 730 214 66 LEU HB3 H 1.5820 0.02 2 731 214 66 LEU HG H 1.3430 0.02 1 732 214 66 LEU HD1 H 0.8320 0.02 2 733 214 66 LEU HD2 H 0.6820 0.02 2 734 214 66 LEU C C 178.0050 0.3 1 735 214 66 LEU CA C 60.2520 0.3 1 736 214 66 LEU CB C 42.5170 0.3 1 737 214 66 LEU CG C 27.6170 0.3 1 738 214 66 LEU CD1 C 26.7800 0.3 2 739 214 66 LEU CD2 C 25.7560 0.3 2 740 214 66 LEU N N 121.1660 0.2 1 741 215 67 GLU H H 7.9020 0.02 1 742 215 67 GLU HA H 3.3240 0.02 1 743 215 67 GLU HB2 H 1.8600 0.02 2 744 215 67 GLU HB3 H 1.8600 0.02 2 745 215 67 GLU HG2 H 2.1300 0.02 2 746 215 67 GLU HG3 H 1.8520 0.02 2 747 215 67 GLU C C 176.6040 0.3 1 748 215 67 GLU CA C 60.1270 0.3 1 749 215 67 GLU CB C 28.2970 0.3 1 750 215 67 GLU CG C 35.7710 0.3 1 751 215 67 GLU N N 118.6870 0.2 1 752 216 68 ALA H H 7.7630 0.02 1 753 216 68 ALA HA H 3.8210 0.02 1 754 216 68 ALA HB H 1.3250 0.02 1 755 216 68 ALA C C 181.1020 0.3 1 756 216 68 ALA CA C 54.9410 0.3 1 757 216 68 ALA CB C 17.4490 0.3 1 758 216 68 ALA N N 120.7920 0.2 1 759 217 69 CYS H H 8.0020 0.02 1 760 217 69 CYS HA H 3.4330 0.02 1 761 217 69 CYS HB2 H 2.4280 0.02 2 762 217 69 CYS HB3 H 0.5870 0.02 2 763 217 69 CYS C C 177.5220 0.3 1 764 217 69 CYS CA C 63.8300 0.3 1 765 217 69 CYS CB C 24.4400 0.3 1 766 217 69 CYS N N 116.5920 0.2 1 767 218 70 VAL H H 7.5370 0.02 1 768 218 70 VAL HA H 3.1710 0.02 1 769 218 70 VAL HB H 1.5930 0.02 1 770 218 70 VAL HG1 H 0.0400 0.02 2 771 218 70 VAL HG2 H 0.7970 0.02 2 772 218 70 VAL C C 175.7320 0.3 1 773 218 70 VAL CA C 67.5170 0.3 1 774 218 70 VAL CB C 31.1030 0.3 1 775 218 70 VAL CG1 C 22.1020 0.3 2 776 218 70 VAL CG2 C 23.3230 0.3 2 777 218 70 VAL N N 121.4950 0.2 1 778 219 71 ARG H H 7.8390 0.02 1 779 219 71 ARG HA H 2.7540 0.02 1 780 219 71 ARG HB2 H 1.5900 0.02 2 781 219 71 ARG HB3 H 0.9480 0.02 2 782 219 71 ARG HG2 H 1.2260 0.02 2 783 219 71 ARG HG3 H 1.2770 0.02 2 784 219 71 ARG HD2 H 3.1270 0.02 2 785 219 71 ARG HD3 H 2.9160 0.02 2 786 219 71 ARG C C 176.3080 0.3 1 787 219 71 ARG CA C 58.1950 0.3 1 788 219 71 ARG CB C 29.2620 0.3 1 789 219 71 ARG CG C 23.3800 0.3 1 790 219 71 ARG CD C 42.5750 0.3 1 791 219 71 ARG N N 112.2330 0.2 1 792 220 72 SER H H 7.4690 0.02 1 793 220 72 SER HA H 4.3470 0.02 1 794 220 72 SER HB2 H 4.1030 0.02 2 795 220 72 SER HB3 H 4.0310 0.02 2 796 220 72 SER C C 174.7520 0.3 1 797 220 72 SER CA C 59.7040 0.3 1 798 220 72 SER CB C 63.3810 0.3 1 799 220 72 SER N N 114.3420 0.2 1 800 221 73 ILE H H 7.7550 0.02 1 801 221 73 ILE HA H 4.0380 0.02 1 802 221 73 ILE HB H 2.5560 0.02 1 803 221 73 ILE HG12 H 2.2530 0.02 2 804 221 73 ILE HG13 H 1.3500 0.02 2 805 221 73 ILE HG2 H 0.9820 0.02 1 806 221 73 ILE HD1 H 1.2590 0.02 1 807 221 73 ILE C C 175.4050 0.3 1 808 221 73 ILE CA C 63.5410 0.3 1 809 221 73 ILE CB C 38.0130 0.3 1 810 221 73 ILE CG1 C 27.9000 0.3 1 811 221 73 ILE CG2 C 16.4800 0.3 1 812 221 73 ILE CD1 C 16.0790 0.3 1 813 221 73 ILE N N 125.7180 0.2 1 814 222 74 GLN H H 8.5530 0.02 1 815 222 74 GLN HA H 4.8990 0.02 1 816 222 74 GLN HB2 H 1.9980 0.02 2 817 222 74 GLN HB3 H 2.1050 0.02 2 818 222 74 GLN HG2 H 2.3490 0.02 2 819 222 74 GLN HG3 H 2.3490 0.02 2 820 222 74 GLN HE21 H 7.5900 0.02 2 821 222 74 GLN HE22 H 6.9270 0.02 2 822 222 74 GLN C C 174.5490 0.3 1 823 222 74 GLN CA C 54.5050 0.3 1 824 222 74 GLN CB C 30.2110 0.3 1 825 222 74 GLN CG C 36.2880 0.3 1 826 222 74 GLN N N 130.9620 0.2 1 827 222 74 GLN NE2 N 112.6370 0.2 1 828 223 75 LEU H H 8.2750 0.02 1 829 223 75 LEU HA H 4.5990 0.02 1 830 223 75 LEU HB2 H 1.3670 0.02 2 831 223 75 LEU HB3 H 1.3670 0.02 2 832 223 75 LEU HG H 1.4530 0.02 1 833 223 75 LEU HD1 H 0.9810 0.02 2 834 223 75 LEU HD2 H 0.7650 0.02 2 835 223 75 LEU C C 175.9190 0.3 1 836 223 75 LEU CA C 53.1880 0.3 1 837 223 75 LEU CB C 45.9930 0.3 1 838 223 75 LEU CG C 26.6600 0.3 1 839 223 75 LEU CD1 C 23.3810 0.3 2 840 223 75 LEU CD2 C 25.8900 0.3 2 841 223 75 LEU N N 124.8330 0.2 1 842 224 76 ASP H H 8.5450 0.02 1 843 224 76 ASP HA H 4.3540 0.02 1 844 224 76 ASP HB2 H 2.6560 0.02 2 845 224 76 ASP HB3 H 2.5660 0.02 2 846 224 76 ASP C C 176.4330 0.3 1 847 224 76 ASP CA C 55.8730 0.3 1 848 224 76 ASP CB C 40.3900 0.3 1 849 224 76 ASP N N 123.0480 0.2 1 850 225 77 GLY H H 8.4940 0.02 1 851 225 77 GLY HA2 H 4.1510 0.02 2 852 225 77 GLY HA3 H 3.6280 0.02 2 853 225 77 GLY C C 172.2610 0.3 1 854 225 77 GLY CA C 45.5000 0.3 1 855 225 77 GLY N N 111.6190 0.2 1 856 226 78 LEU H H 7.6240 0.02 1 857 226 78 LEU HA H 4.8960 0.02 1 858 226 78 LEU HB2 H 1.9510 0.02 2 859 226 78 LEU HB3 H 0.9330 0.02 2 860 226 78 LEU HG H 0.5600 0.02 1 861 226 78 LEU HD1 H 0.3760 0.02 2 862 226 78 LEU HD2 H -0.1010 0.02 2 863 226 78 LEU C C 175.4830 0.3 1 864 226 78 LEU CA C 53.9330 0.3 1 865 226 78 LEU CB C 45.3960 0.3 1 866 226 78 LEU CG C 27.6810 0.3 1 867 226 78 LEU CD1 C 26.0610 0.3 2 868 226 78 LEU CD2 C 24.6350 0.3 2 869 226 78 LEU N N 121.0510 0.2 1 870 227 79 VAL H H 8.5090 0.02 1 871 227 79 VAL HA H 4.3720 0.02 1 872 227 79 VAL HB H 1.8710 0.02 1 873 227 79 VAL HG1 H 0.9370 0.02 2 874 227 79 VAL HG2 H 0.9370 0.02 2 875 227 79 VAL C C 176.4330 0.3 1 876 227 79 VAL CA C 61.5980 0.3 1 877 227 79 VAL CB C 34.8190 0.3 1 878 227 79 VAL CG1 C 21.1090 0.3 2 879 227 79 VAL CG2 C 21.1090 0.3 2 880 227 79 VAL N N 127.4510 0.2 1 881 228 80 TRP H H 8.9640 0.02 1 882 228 80 TRP HA H 4.7070 0.02 1 883 228 80 TRP HB2 H 3.3970 0.02 2 884 228 80 TRP HB3 H 3.3030 0.02 2 885 228 80 TRP HD1 H 7.4740 0.02 1 886 228 80 TRP HE1 H 10.1270 0.02 1 887 228 80 TRP HZ2 H 7.2350 0.02 1 888 228 80 TRP HH2 H 6.7590 0.02 1 889 228 80 TRP C C 177.1170 0.3 1 890 228 80 TRP CA C 58.3140 0.3 1 891 228 80 TRP CB C 31.4720 0.3 1 892 228 80 TRP CD1 C 127.4300 0.3 1 893 228 80 TRP CZ2 C 115.8610 0.3 1 894 228 80 TRP CH2 C 122.9140 0.3 1 895 228 80 TRP N N 129.2600 0.2 1 896 228 80 TRP NE1 N 129.4230 0.2 1 897 229 81 GLY H H 9.2760 0.02 1 898 229 81 GLY HA2 H 4.6320 0.02 2 899 229 81 GLY HA3 H 3.6610 0.02 2 900 229 81 GLY C C 173.1950 0.3 1 901 229 81 GLY CA C 43.8250 0.3 1 902 229 81 GLY N N 114.2660 0.2 1 903 230 82 ALA H H 8.5290 0.02 1 904 230 82 ALA HA H 4.4610 0.02 1 905 230 82 ALA HB H 1.4600 0.02 1 906 230 82 ALA C C 176.6970 0.3 1 907 230 82 ALA CA C 52.6410 0.3 1 908 230 82 ALA CB C 20.1930 0.3 1 909 230 82 ALA N N 126.4130 0.2 1 910 231 83 SER H H 8.7490 0.02 1 911 231 83 SER HA H 5.6350 0.02 1 912 231 83 SER HB2 H 3.4860 0.02 2 913 231 83 SER HB3 H 3.8240 0.02 2 914 231 83 SER C C 173.6150 0.3 1 915 231 83 SER CA C 56.3650 0.3 1 916 231 83 SER CB C 67.2680 0.3 1 917 231 83 SER N N 112.6570 0.2 1 918 232 84 LYS H H 8.8780 0.02 1 919 232 84 LYS HA H 4.5600 0.02 1 920 232 84 LYS HB2 H 1.8960 0.02 2 921 232 84 LYS HB3 H 1.7000 0.02 2 922 232 84 LYS HG2 H 1.2510 0.02 2 923 232 84 LYS HG3 H 1.4160 0.02 2 924 232 84 LYS HD2 H 1.6390 0.02 2 925 232 84 LYS HD3 H 1.7120 0.02 2 926 232 84 LYS HE2 H 2.9370 0.02 2 927 232 84 LYS HE3 H 2.9370 0.02 2 928 232 84 LYS C C 173.9890 0.3 1 929 232 84 LYS CA C 55.4000 0.3 1 930 232 84 LYS CB C 36.1940 0.3 1 931 232 84 LYS CG C 23.6830 0.3 1 932 232 84 LYS CD C 29.0780 0.3 1 933 232 84 LYS CE C 42.1240 0.3 1 934 232 84 LYS N N 117.2420 0.2 1 935 233 85 LEU H H 8.5630 0.02 1 936 233 85 LEU HA H 5.3350 0.02 1 937 233 85 LEU HB2 H 1.8580 0.02 2 938 233 85 LEU HB3 H 0.9950 0.02 2 939 233 85 LEU HG H 1.6690 0.02 1 940 233 85 LEU HD1 H 0.8500 0.02 2 941 233 85 LEU HD2 H 0.7760 0.02 2 942 233 85 LEU C C 177.4910 0.3 1 943 233 85 LEU CA C 53.4440 0.3 1 944 233 85 LEU CB C 42.8340 0.3 1 945 233 85 LEU CG C 26.7530 0.3 1 946 233 85 LEU CD1 C 25.7560 0.3 2 947 233 85 LEU CD2 C 24.4000 0.3 2 948 233 85 LEU N N 121.6000 0.2 1 949 234 86 VAL H H 8.9430 0.02 1 950 234 86 VAL HA H 4.6450 0.02 1 951 234 86 VAL HB H 1.7670 0.02 1 952 234 86 VAL HG1 H 0.9390 0.02 2 953 234 86 VAL HG2 H 0.8110 0.02 2 954 234 86 VAL C C 173.9010 0.3 1 955 234 86 VAL CA C 59.2640 0.3 1 956 234 86 VAL CB C 35.1010 0.3 1 957 234 86 VAL CG1 C 20.9100 0.3 2 958 234 86 VAL CG2 C 20.6060 0.3 2 959 234 86 VAL N N 124.8380 0.2 1 960 235 87 PRO HA H 4.6430 0.02 1 961 235 87 PRO HB2 H 2.0020 0.02 2 962 235 87 PRO HB3 H 2.3670 0.02 2 963 235 87 PRO HG2 H 2.2120 0.02 2 964 235 87 PRO HG3 H 1.9790 0.02 2 965 235 87 PRO HD2 H 3.8940 0.02 2 966 235 87 PRO HD3 H 3.8310 0.02 2 967 235 87 PRO C C 177.1320 0.3 1 968 235 87 PRO CA C 63.6990 0.3 1 969 235 87 PRO CB C 32.5330 0.3 1 970 235 87 PRO CG C 27.3350 0.3 1 971 235 87 PRO CD C 51.5530 0.3 1 972 236 88 VAL H H 8.5420 0.02 1 973 236 88 VAL HA H 4.4450 0.02 1 974 236 88 VAL HB H 2.2390 0.02 1 975 236 88 VAL HG1 H 0.8960 0.02 2 976 236 88 VAL HG2 H 0.8000 0.02 2 977 236 88 VAL C C 175.5770 0.3 1 978 236 88 VAL CA C 61.5910 0.3 1 979 236 88 VAL CB C 32.5720 0.3 1 980 236 88 VAL CG1 C 21.3910 0.3 2 981 236 88 VAL CG2 C 20.3630 0.3 2 982 236 88 VAL N N 118.1540 0.2 1 983 237 89 GLY H H 7.7680 0.02 1 984 237 89 GLY HA2 H 4.1690 0.02 2 985 237 89 GLY HA3 H 3.7230 0.02 2 986 237 89 GLY C C 174.0200 0.3 1 987 237 89 GLY CA C 45.0310 0.3 1 988 237 89 GLY N N 110.1400 0.2 1 989 238 90 TYR HA H 4.2250 0.02 1 990 238 90 TYR HB2 H 3.2200 0.02 2 991 238 90 TYR HB3 H 3.0610 0.02 2 992 238 90 TYR HD1 H 7.1120 0.02 3 993 238 90 TYR HD2 H 7.1120 0.02 3 994 238 90 TYR HE1 H 6.8680 0.02 3 995 238 90 TYR HE2 H 6.8680 0.02 3 996 238 90 TYR C C 176.0910 0.3 1 997 238 90 TYR CA C 59.0200 0.3 1 998 238 90 TYR CB C 35.8440 0.3 1 999 238 90 TYR CD1 C 133.1190 0.3 3 1000 238 90 TYR CD2 C 133.1190 0.3 3 1001 238 90 TYR CE1 C 118.2410 0.3 3 1002 238 90 TYR CE2 C 118.2410 0.3 3 1003 239 91 GLY H H 8.3840 0.02 1 1004 239 91 GLY HA2 H 3.6870 0.02 2 1005 239 91 GLY HA3 H 4.2600 0.02 2 1006 239 91 GLY C C 173.9110 0.3 1 1007 239 91 GLY CA C 45.7130 0.3 1 1008 239 91 GLY N N 107.9530 0.2 1 1009 240 92 ILE H H 7.7600 0.02 1 1010 240 92 ILE HA H 4.1640 0.02 1 1011 240 92 ILE HB H 1.8910 0.02 1 1012 240 92 ILE HG12 H 1.5870 0.02 2 1013 240 92 ILE HG13 H 0.9580 0.02 2 1014 240 92 ILE HG2 H 0.7430 0.02 1 1015 240 92 ILE HD1 H 0.8110 0.02 1 1016 240 92 ILE C C 175.7010 0.3 1 1017 240 92 ILE CA C 60.6320 0.3 1 1018 240 92 ILE CB C 38.9040 0.3 1 1019 240 92 ILE CG1 C 28.0300 0.3 1 1020 240 92 ILE CG2 C 17.5480 0.3 1 1021 240 92 ILE CD1 C 12.3700 0.3 1 1022 240 92 ILE N N 120.2260 0.2 1 1023 241 93 ARG H H 8.8080 0.02 1 1024 241 93 ARG HA H 5.0140 0.02 1 1025 241 93 ARG HB2 H 1.4750 0.02 2 1026 241 93 ARG HB3 H 1.6590 0.02 2 1027 241 93 ARG HG2 H 1.6060 0.02 2 1028 241 93 ARG HG3 H 1.6060 0.02 2 1029 241 93 ARG HD2 H 3.2250 0.02 2 1030 241 93 ARG HD3 H 2.9910 0.02 2 1031 241 93 ARG C C 174.3000 0.3 1 1032 241 93 ARG CA C 54.6700 0.3 1 1033 241 93 ARG CB C 32.9220 0.3 1 1034 241 93 ARG CG C 27.0340 0.3 1 1035 241 93 ARG CD C 43.6070 0.3 1 1036 241 93 ARG N N 126.8230 0.2 1 1037 242 94 LYS H H 8.7060 0.02 1 1038 242 94 LYS HA H 4.8260 0.02 1 1039 242 94 LYS HB2 H 1.6460 0.02 2 1040 242 94 LYS HB3 H 1.4960 0.02 2 1041 242 94 LYS C C 174.3470 0.3 1 1042 242 94 LYS CA C 53.3770 0.3 1 1043 242 94 LYS CB C 34.9600 0.3 1 1044 242 94 LYS N N 115.4510 0.2 1 1045 243 95 LEU H H 8.6220 0.02 1 1046 243 95 LEU HA H 4.7390 0.02 1 1047 243 95 LEU HB2 H 1.9240 0.02 2 1048 243 95 LEU HB3 H 1.0200 0.02 2 1049 243 95 LEU HG H 1.2170 0.02 1 1050 243 95 LEU HD1 H 0.5510 0.02 2 1051 243 95 LEU HD2 H 0.7650 0.02 2 1052 243 95 LEU C C 174.3470 0.3 1 1053 243 95 LEU CA C 54.0090 0.3 1 1054 243 95 LEU CB C 44.1670 0.3 1 1055 243 95 LEU CG C 27.3000 0.3 1 1056 243 95 LEU CD1 C 26.8790 0.3 2 1057 243 95 LEU CD2 C 24.5400 0.3 2 1058 243 95 LEU N N 122.9600 0.2 1 1059 244 96 GLN H H 9.2100 0.02 1 1060 244 96 GLN HA H 5.9540 0.02 1 1061 244 96 GLN HB2 H 1.7210 0.02 2 1062 244 96 GLN HB3 H 2.0480 0.02 2 1063 244 96 GLN HG2 H 2.0080 0.02 2 1064 244 96 GLN HG3 H 2.4190 0.02 2 1065 244 96 GLN HE21 H 9.1210 0.02 2 1066 244 96 GLN HE22 H 6.7010 0.02 2 1067 244 96 GLN C C 174.9850 0.3 1 1068 244 96 GLN CA C 54.7990 0.3 1 1069 244 96 GLN CB C 32.4110 0.3 1 1070 244 96 GLN CG C 35.4610 0.3 1 1071 244 96 GLN N N 129.5980 0.2 1 1072 244 96 GLN NE2 N 112.9830 0.2 1 1073 245 97 ILE H H 9.4870 0.02 1 1074 245 97 ILE HA H 5.0990 0.02 1 1075 245 97 ILE HB H 1.2860 0.02 1 1076 245 97 ILE HG12 H 1.4610 0.02 2 1077 245 97 ILE HG13 H 1.6070 0.02 2 1078 245 97 ILE HG2 H 0.9500 0.02 1 1079 245 97 ILE HD1 H 0.4530 0.02 1 1080 245 97 ILE C C 171.4190 0.3 1 1081 245 97 ILE CA C 59.1250 0.3 1 1082 245 97 ILE CB C 42.7510 0.3 1 1083 245 97 ILE CG1 C 29.6310 0.3 1 1084 245 97 ILE CG2 C 14.5910 0.3 1 1085 245 97 ILE CD1 C 14.5910 0.3 1 1086 245 97 ILE N N 125.8820 0.2 1 1087 246 98 GLN H H 8.3790 0.02 1 1088 246 98 GLN HA H 5.4800 0.02 1 1089 246 98 GLN HB2 H 2.0550 0.02 2 1090 246 98 GLN HB3 H 2.3150 0.02 2 1091 246 98 GLN HG2 H 2.4070 0.02 2 1092 246 98 GLN HG3 H 2.4070 0.02 2 1093 246 98 GLN HE21 H 7.2750 0.02 2 1094 246 98 GLN HE22 H 6.6930 0.02 2 1095 246 98 GLN C C 175.5610 0.3 1 1096 246 98 GLN CA C 54.4380 0.3 1 1097 246 98 GLN CB C 31.5540 0.3 1 1098 246 98 GLN CG C 34.1400 0.3 1 1099 246 98 GLN N N 128.3360 0.2 1 1100 246 98 GLN NE2 N 111.6700 0.2 1 1101 247 99 CYS H H 9.2490 0.02 1 1102 247 99 CYS HA H 5.1140 0.02 1 1103 247 99 CYS HB2 H 2.0900 0.02 2 1104 247 99 CYS HB3 H 2.9780 0.02 2 1105 247 99 CYS C C 172.0750 0.3 1 1106 247 99 CYS CA C 56.3450 0.3 1 1107 247 99 CYS CB C 32.0500 0.3 1 1108 247 99 CYS N N 116.8010 0.2 1 1109 248 100 VAL H H 8.3940 0.02 1 1110 248 100 VAL HA H 5.0260 0.02 1 1111 248 100 VAL HB H 1.7190 0.02 1 1112 248 100 VAL HG1 H 0.8390 0.02 2 1113 248 100 VAL HG2 H 0.9030 0.02 2 1114 248 100 VAL C C 176.2560 0.3 1 1115 248 100 VAL CA C 61.2480 0.3 1 1116 248 100 VAL CB C 34.4440 0.3 1 1117 248 100 VAL CG1 C 21.7560 0.3 2 1118 248 100 VAL CG2 C 21.7560 0.3 2 1119 248 100 VAL N N 120.6000 0.2 1 1120 249 101 VAL H H 8.9440 0.02 1 1121 249 101 VAL HA H 5.6310 0.02 1 1122 249 101 VAL HB H 2.0540 0.02 1 1123 249 101 VAL HG1 H 0.6740 0.02 2 1124 249 101 VAL HG2 H 0.8060 0.02 2 1125 249 101 VAL C C 175.6570 0.3 1 1126 249 101 VAL CA C 57.3980 0.3 1 1127 249 101 VAL CB C 35.5140 0.3 1 1128 249 101 VAL CG1 C 23.0810 0.3 2 1129 249 101 VAL CG2 C 19.1560 0.3 2 1130 249 101 VAL N N 119.2500 0.2 1 1131 250 102 GLU HA H 4.7080 0.02 1 1132 250 102 GLU HB2 H 2.1880 0.02 2 1133 250 102 GLU HB3 H 1.8670 0.02 2 1134 250 102 GLU C C 176.8900 0.3 1 1135 250 102 GLU CA C 55.1950 0.3 1 1136 250 102 GLU CB C 29.6830 0.3 1 1137 250 102 GLU CG C 36.3050 0.3 1 1138 251 103 ASP H H 8.3570 0.02 1 1139 251 103 ASP HA H 4.3090 0.02 1 1140 251 103 ASP HB2 H 2.6750 0.02 2 1141 251 103 ASP HB3 H 2.4210 0.02 2 1142 251 103 ASP C C 176.9000 0.3 1 1143 251 103 ASP CA C 57.1110 0.3 1 1144 251 103 ASP CB C 40.8160 0.3 1 1145 251 103 ASP N N 127.9760 0.2 1 1146 252 104 ASP H H 9.0540 0.02 1 1147 252 104 ASP HA H 4.4050 0.02 1 1148 252 104 ASP HB2 H 2.7240 0.02 2 1149 252 104 ASP HB3 H 2.6420 0.02 2 1150 252 104 ASP C C 176.2930 0.3 1 1151 252 104 ASP CA C 55.5250 0.3 1 1152 252 104 ASP CB C 40.3750 0.3 1 1153 252 104 ASP N N 115.1900 0.2 1 1154 253 105 LYS H H 7.9200 0.02 1 1155 253 105 LYS HA H 4.4230 0.02 1 1156 253 105 LYS HB2 H 1.7150 0.02 2 1157 253 105 LYS HB3 H 2.0510 0.02 2 1158 253 105 LYS HG2 H 1.2790 0.02 2 1159 253 105 LYS HG3 H 1.4170 0.02 2 1160 253 105 LYS HD2 H 1.4170 0.02 2 1161 253 105 LYS HD3 H 1.4170 0.02 2 1162 253 105 LYS HE2 H 3.0070 0.02 2 1163 253 105 LYS HE3 H 3.0070 0.02 2 1164 253 105 LYS C C 176.5100 0.3 1 1165 253 105 LYS CA C 58.1550 0.3 1 1166 253 105 LYS CB C 36.6430 0.3 1 1167 253 105 LYS CG C 25.8340 0.3 1 1168 253 105 LYS CD C 29.4370 0.3 1 1169 253 105 LYS CE C 42.2250 0.3 1 1170 253 105 LYS N N 117.2020 0.2 1 1171 254 106 VAL H H 7.8500 0.02 1 1172 254 106 VAL HA H 4.2050 0.02 1 1173 254 106 VAL HB H 1.8600 0.02 1 1174 254 106 VAL HG1 H 0.7910 0.02 2 1175 254 106 VAL HG2 H 0.7910 0.02 2 1176 254 106 VAL C C 173.3980 0.3 1 1177 254 106 VAL CA C 62.0240 0.3 1 1178 254 106 VAL CB C 35.2090 0.3 1 1179 254 106 VAL CG1 C 21.7500 0.3 2 1180 254 106 VAL CG2 C 21.7500 0.3 2 1181 254 106 VAL N N 119.5580 0.2 1 1182 255 107 GLY H H 7.4210 0.02 1 1183 255 107 GLY HA2 H 3.8370 0.02 2 1184 255 107 GLY HA3 H 4.5420 0.02 2 1185 255 107 GLY C C 174.7360 0.3 1 1186 255 107 GLY CA C 43.3320 0.3 1 1187 255 107 GLY N N 111.9660 0.2 1 1188 256 108 THR H H 8.6830 0.02 1 1189 256 108 THR HA H 3.7140 0.02 1 1190 256 108 THR HB H 4.1960 0.02 1 1191 256 108 THR HG2 H 1.1580 0.02 1 1192 256 108 THR C C 174.7670 0.3 1 1193 256 108 THR CA C 65.9530 0.3 1 1194 256 108 THR CB C 67.2160 0.3 1 1195 256 108 THR CG2 C 22.9120 0.3 1 1196 256 108 THR N N 111.1920 0.2 1 1197 257 109 ASP H H 8.5170 0.02 1 1198 257 109 ASP HA H 4.3510 0.02 1 1199 257 109 ASP HB2 H 2.5990 0.02 2 1200 257 109 ASP HB3 H 2.7060 0.02 2 1201 257 109 ASP C C 178.4250 0.3 1 1202 257 109 ASP CA C 57.2680 0.3 1 1203 257 109 ASP CB C 39.4370 0.3 1 1204 257 109 ASP N N 121.1240 0.2 1 1205 258 110 LEU H H 7.6070 0.02 1 1206 258 110 LEU HA H 4.2700 0.02 1 1207 258 110 LEU HB2 H 1.8410 0.02 2 1208 258 110 LEU HB3 H 1.6940 0.02 2 1209 258 110 LEU HG H 1.5820 0.02 1 1210 258 110 LEU HD1 H 1.0680 0.02 2 1211 258 110 LEU HD2 H 1.0680 0.02 2 1212 258 110 LEU C C 178.4250 0.3 1 1213 258 110 LEU CA C 57.4700 0.3 1 1214 258 110 LEU CB C 41.8540 0.3 1 1215 258 110 LEU CG C 27.1160 0.3 1 1216 258 110 LEU CD1 C 23.8400 0.3 2 1217 258 110 LEU CD2 C 26.4400 0.3 2 1218 258 110 LEU N N 123.1410 0.2 1 1219 259 111 LEU H H 7.4680 0.02 1 1220 259 111 LEU HA H 3.8960 0.02 1 1221 259 111 LEU HB2 H 1.6750 0.02 2 1222 259 111 LEU HB3 H 1.6750 0.02 2 1223 259 111 LEU HG H 1.4440 0.02 1 1224 259 111 LEU HD1 H 0.7160 0.02 2 1225 259 111 LEU HD2 H 0.7520 0.02 2 1226 259 111 LEU C C 178.4560 0.3 1 1227 259 111 LEU CA C 58.1700 0.3 1 1228 259 111 LEU CB C 42.2970 0.3 1 1229 259 111 LEU CG C 25.3900 0.3 1 1230 259 111 LEU CD1 C 24.2900 0.3 2 1231 259 111 LEU CD2 C 25.8100 0.3 2 1232 259 111 LEU N N 117.3910 0.2 1 1233 260 112 GLU H H 8.2630 0.02 1 1234 260 112 GLU HA H 3.7230 0.02 1 1235 260 112 GLU HB2 H 2.1330 0.02 2 1236 260 112 GLU HB3 H 2.1330 0.02 2 1237 260 112 GLU HG2 H 2.0370 0.02 2 1238 260 112 GLU HG3 H 2.3860 0.02 2 1239 260 112 GLU C C 179.1720 0.3 1 1240 260 112 GLU CA C 61.1160 0.3 1 1241 260 112 GLU CB C 29.6430 0.3 1 1242 260 112 GLU CG C 36.6770 0.3 1 1243 260 112 GLU N N 116.8970 0.2 1 1244 261 113 GLU H H 8.0400 0.02 1 1245 261 113 GLU HA H 3.8970 0.02 1 1246 261 113 GLU HB2 H 2.2040 0.02 2 1247 261 113 GLU HB3 H 2.2040 0.02 2 1248 261 113 GLU HG2 H 2.1830 0.02 2 1249 261 113 GLU HG3 H 2.3370 0.02 2 1250 261 113 GLU C C 178.7730 0.3 1 1251 261 113 GLU CA C 59.5840 0.3 1 1252 261 113 GLU CB C 29.8510 0.3 1 1253 261 113 GLU CG C 36.3120 0.3 1 1254 261 113 GLU N N 120.8900 0.2 1 1255 262 114 GLU H H 8.4150 0.02 1 1256 262 114 GLU HA H 4.0460 0.02 1 1257 262 114 GLU HB2 H 2.0780 0.02 2 1258 262 114 GLU HB3 H 2.2560 0.02 2 1259 262 114 GLU HG2 H 2.5790 0.02 2 1260 262 114 GLU HG3 H 2.5790 0.02 2 1261 262 114 GLU C C 178.8140 0.3 1 1262 262 114 GLU CA C 58.7330 0.3 1 1263 262 114 GLU CB C 29.6890 0.3 1 1264 262 114 GLU CG C 36.4910 0.3 1 1265 262 114 GLU N N 116.1040 0.2 1 1266 263 115 ILE H H 8.2610 0.02 1 1267 263 115 ILE HA H 4.0140 0.02 1 1268 263 115 ILE HB H 1.9120 0.02 1 1269 263 115 ILE HG12 H 0.9530 0.02 2 1270 263 115 ILE HG13 H 2.2380 0.02 2 1271 263 115 ILE HG2 H 0.9180 0.02 1 1272 263 115 ILE HD1 H 0.9500 0.02 1 1273 263 115 ILE C C 177.6310 0.3 1 1274 263 115 ILE CA C 65.5690 0.3 1 1275 263 115 ILE CB C 39.0090 0.3 1 1276 263 115 ILE CG1 C 30.5550 0.3 1 1277 263 115 ILE CG2 C 19.8400 0.3 1 1278 263 115 ILE CD1 C 15.6590 0.3 1 1279 263 115 ILE N N 118.0640 0.2 1 1280 264 116 THR H H 8.0990 0.02 1 1281 264 116 THR HA H 3.7400 0.02 1 1282 264 116 THR HB H 4.3870 0.02 1 1283 264 116 THR HG2 H 1.2740 0.02 1 1284 264 116 THR C C 176.0440 0.3 1 1285 264 116 THR CA C 65.2090 0.3 1 1286 264 116 THR CB C 69.0490 0.3 1 1287 264 116 THR CG2 C 22.3350 0.3 1 1288 264 116 THR N N 108.0880 0.2 1 1289 265 117 LYS H H 7.0620 0.02 1 1290 265 117 LYS HA H 4.1690 0.02 1 1291 265 117 LYS HB2 H 1.6240 0.02 2 1292 265 117 LYS HB3 H 1.6240 0.02 2 1293 265 117 LYS HG2 H 1.3160 0.02 2 1294 265 117 LYS HG3 H 1.3160 0.02 2 1295 265 117 LYS HD2 H 1.5320 0.02 2 1296 265 117 LYS HD3 H 1.5320 0.02 2 1297 265 117 LYS HE2 H 2.7770 0.02 2 1298 265 117 LYS HE3 H 2.7770 0.02 2 1299 265 117 LYS C C 178.8300 0.3 1 1300 265 117 LYS CA C 58.6790 0.3 1 1301 265 117 LYS CB C 32.0650 0.3 1 1302 265 117 LYS CG C 25.2910 0.3 1 1303 265 117 LYS CD C 29.5940 0.3 1 1304 265 117 LYS CE C 42.3830 0.3 1 1305 265 117 LYS N N 119.5480 0.2 1 1306 266 118 PHE H H 7.4180 0.02 1 1307 266 118 PHE HA H 5.0990 0.02 1 1308 266 118 PHE HB2 H 3.4150 0.02 2 1309 266 118 PHE HB3 H 3.1570 0.02 2 1310 266 118 PHE HD1 H 7.2540 0.02 3 1311 266 118 PHE HD2 H 7.2540 0.02 3 1312 266 118 PHE HE1 H 7.0600 0.02 3 1313 266 118 PHE HE2 H 7.0600 0.02 3 1314 266 118 PHE C C 177.6310 0.3 1 1315 266 118 PHE CA C 57.6550 0.3 1 1316 266 118 PHE CB C 35.3560 0.3 1 1317 266 118 PHE CD1 C 131.5870 0.3 3 1318 266 118 PHE CD2 C 131.5870 0.3 3 1319 266 118 PHE CE1 C 131.5870 0.3 3 1320 266 118 PHE CE2 C 131.5870 0.3 3 1321 266 118 PHE N N 121.5150 0.2 1 1322 267 119 GLU H H 8.0420 0.02 1 1323 267 119 GLU HA H 4.5090 0.02 1 1324 267 119 GLU HB2 H 2.2300 0.02 2 1325 267 119 GLU HB3 H 2.2300 0.02 2 1326 267 119 GLU HG2 H 2.4380 0.02 2 1327 267 119 GLU HG3 H 2.4380 0.02 2 1328 267 119 GLU C C 177.6620 0.3 1 1329 267 119 GLU CA C 58.7430 0.3 1 1330 267 119 GLU CB C 30.5020 0.3 1 1331 267 119 GLU CG C 36.4880 0.3 1 1332 267 119 GLU N N 122.4200 0.2 1 1333 268 120 GLU H H 9.4080 0.02 1 1334 268 120 GLU HA H 4.0050 0.02 1 1335 268 120 GLU HB2 H 1.7060 0.02 2 1336 268 120 GLU HB3 H 1.4960 0.02 2 1337 268 120 GLU HG2 H 1.9140 0.02 2 1338 268 120 GLU HG3 H 2.1300 0.02 2 1339 268 120 GLU C C 176.7130 0.3 1 1340 268 120 GLU CA C 58.7700 0.3 1 1341 268 120 GLU CB C 28.7550 0.3 1 1342 268 120 GLU CG C 36.1850 0.3 1 1343 268 120 GLU N N 119.8000 0.2 1 1344 269 121 HIS H H 7.4790 0.02 1 1345 269 121 HIS HA H 5.1170 0.02 1 1346 269 121 HIS HB2 H 3.1120 0.02 2 1347 269 121 HIS HB3 H 2.8200 0.02 2 1348 269 121 HIS HD2 H 6.9990 0.02 1 1349 269 121 HIS HE1 H 7.8460 0.02 1 1350 269 121 HIS C C 173.9580 0.3 1 1351 269 121 HIS CA C 57.5510 0.3 1 1352 269 121 HIS CB C 35.2230 0.3 1 1353 269 121 HIS CD2 C 117.8850 0.3 1 1354 269 121 HIS CE1 C 138.3410 0.3 1 1355 269 121 HIS N N 113.0280 0.2 1 1356 270 122 VAL H H 8.1070 0.02 1 1357 270 122 VAL HA H 3.5960 0.02 1 1358 270 122 VAL HB H 1.8870 0.02 1 1359 270 122 VAL HG1 H 0.5540 0.02 2 1360 270 122 VAL HG2 H 0.9100 0.02 2 1361 270 122 VAL C C 173.2730 0.3 1 1362 270 122 VAL CA C 62.9670 0.3 1 1363 270 122 VAL CB C 33.8710 0.3 1 1364 270 122 VAL CG1 C 21.3620 0.3 2 1365 270 122 VAL CG2 C 21.3620 0.3 2 1366 270 122 VAL N N 116.7660 0.2 1 1367 271 123 GLN H H 8.5160 0.02 1 1368 271 123 GLN HA H 2.7840 0.02 1 1369 271 123 GLN HB2 H 1.0430 0.02 2 1370 271 123 GLN HB3 H 0.2120 0.02 2 1371 271 123 GLN HG2 H 1.6670 0.02 2 1372 271 123 GLN HG3 H 1.6670 0.02 2 1373 271 123 GLN HE21 H 7.2430 0.02 2 1374 271 123 GLN HE22 H 7.0660 0.02 2 1375 271 123 GLN C C 175.7790 0.3 1 1376 271 123 GLN CA C 56.3920 0.3 1 1377 271 123 GLN CB C 28.8530 0.3 1 1378 271 123 GLN CG C 33.9930 0.3 1 1379 271 123 GLN N N 126.3600 0.2 1 1380 271 123 GLN NE2 N 112.3250 0.2 1 1381 272 124 SER H H 7.3480 0.02 1 1382 272 124 SER HA H 4.4050 0.02 1 1383 272 124 SER HB2 H 3.7420 0.02 2 1384 272 124 SER HB3 H 3.7420 0.02 2 1385 272 124 SER C C 171.2940 0.3 1 1386 272 124 SER CA C 57.8370 0.3 1 1387 272 124 SER CB C 65.3440 0.3 1 1388 272 124 SER N N 109.0300 0.2 1 1389 273 125 VAL H H 8.5980 0.02 1 1390 273 125 VAL HA H 5.0230 0.02 1 1391 273 125 VAL HB H 1.8510 0.02 1 1392 273 125 VAL HG1 H 0.8830 0.02 2 1393 273 125 VAL HG2 H 0.9350 0.02 2 1394 273 125 VAL C C 172.9770 0.3 1 1395 273 125 VAL CA C 60.1010 0.3 1 1396 273 125 VAL CB C 35.2690 0.3 1 1397 273 125 VAL CG1 C 21.2260 0.3 2 1398 273 125 VAL CG2 C 23.2640 0.3 2 1399 273 125 VAL N N 119.3220 0.2 1 1400 274 126 ASP H H 8.9060 0.02 1 1401 274 126 ASP HA H 5.0900 0.02 1 1402 274 126 ASP HB2 H 2.6020 0.02 2 1403 274 126 ASP HB3 H 2.4570 0.02 2 1404 274 126 ASP C C 174.8140 0.3 1 1405 274 126 ASP CA C 52.5660 0.3 1 1406 274 126 ASP CB C 45.1450 0.3 1 1407 274 126 ASP N N 124.3800 0.2 1 1408 275 127 ILE H H 8.9120 0.02 1 1409 275 127 ILE HA H 4.2180 0.02 1 1410 275 127 ILE HB H 2.0480 0.02 1 1411 275 127 ILE HG12 H 1.4420 0.02 2 1412 275 127 ILE HG13 H 1.3310 0.02 2 1413 275 127 ILE HG2 H 0.8840 0.02 1 1414 275 127 ILE HD1 H 0.7560 0.02 1 1415 275 127 ILE C C 175.3280 0.3 1 1416 275 127 ILE CA C 60.6500 0.3 1 1417 275 127 ILE CB C 36.1450 0.3 1 1418 275 127 ILE CG1 C 27.4700 0.3 1 1419 275 127 ILE CG2 C 18.3420 0.3 1 1420 275 127 ILE CD1 C 11.5080 0.3 1 1421 275 127 ILE N N 122.9480 0.2 1 1422 276 128 ALA H H 9.0080 0.02 1 1423 276 128 ALA HA H 4.3230 0.02 1 1424 276 128 ALA HB H 1.2240 0.02 1 1425 276 128 ALA C C 177.9740 0.3 1 1426 276 128 ALA CA C 53.5680 0.3 1 1427 276 128 ALA CB C 19.3250 0.3 1 1428 276 128 ALA N N 133.6900 0.2 1 1429 277 129 ALA H H 7.9910 0.02 1 1430 277 129 ALA HA H 4.5050 0.02 1 1431 277 129 ALA HB H 1.4040 0.02 1 1432 277 129 ALA C C 174.8920 0.3 1 1433 277 129 ALA CA C 52.7260 0.3 1 1434 277 129 ALA CB C 21.7830 0.3 1 1435 277 129 ALA N N 118.3830 0.2 1 1436 278 130 PHE H H 8.4260 0.02 1 1437 278 130 PHE HA H 5.1320 0.02 1 1438 278 130 PHE HB2 H 3.0900 0.02 2 1439 278 130 PHE HB3 H 2.7890 0.02 2 1440 278 130 PHE HD1 H 7.0550 0.02 3 1441 278 130 PHE HD2 H 7.0550 0.02 3 1442 278 130 PHE C C 173.9660 0.3 1 1443 278 130 PHE CA C 57.3500 0.3 1 1444 278 130 PHE CB C 41.3310 0.3 1 1445 278 130 PHE CD1 C 131.5870 0.3 3 1446 278 130 PHE CD2 C 131.5870 0.3 3 1447 278 130 PHE N N 122.1040 0.2 1 1448 279 131 ASN H H 8.7290 0.02 1 1449 279 131 ASN HA H 5.0170 0.02 1 1450 279 131 ASN HB2 H 2.5560 0.02 2 1451 279 131 ASN HB3 H 2.6980 0.02 2 1452 279 131 ASN HD21 H 6.9490 0.02 2 1453 279 131 ASN HD22 H 7.6100 0.02 2 1454 279 131 ASN C C 173.3350 0.3 1 1455 279 131 ASN CA C 52.5890 0.3 1 1456 279 131 ASN CB C 42.6760 0.3 1 1457 279 131 ASN N N 123.2770 0.2 1 1458 279 131 ASN ND2 N 114.1560 0.2 1 1459 280 132 LYS H H 8.6360 0.02 1 1460 280 132 LYS HA H 4.5510 0.02 1 1461 280 132 LYS HB2 H 1.8510 0.02 2 1462 280 132 LYS HB3 H 1.7230 0.02 2 1463 280 132 LYS HG2 H 1.5790 0.02 2 1464 280 132 LYS HG3 H 1.5790 0.02 2 1465 280 132 LYS HD2 H 1.6950 0.02 2 1466 280 132 LYS HD3 H 1.6950 0.02 2 1467 280 132 LYS HE2 H 3.0090 0.02 2 1468 280 132 LYS HE3 H 3.0090 0.02 2 1469 280 132 LYS C C 176.4170 0.3 1 1470 280 132 LYS CA C 56.7970 0.3 1 1471 280 132 LYS CB C 32.4870 0.3 1 1472 280 132 LYS CG C 24.7730 0.3 1 1473 280 132 LYS CD C 29.2350 0.3 1 1474 280 132 LYS CE C 42.3300 0.3 1 1475 280 132 LYS N N 123.6920 0.2 1 1476 281 133 ILE H H 8.0620 0.02 1 1477 281 133 ILE HA H 4.1090 0.02 1 1478 281 133 ILE HB H 1.7400 0.02 1 1479 281 133 ILE HG12 H 0.8920 0.02 2 1480 281 133 ILE HG13 H 1.3340 0.02 2 1481 281 133 ILE HG2 H 0.8330 0.02 1 1482 281 133 ILE HD1 H 0.7770 0.02 1 1483 281 133 ILE C C 180.9780 0.3 1 1484 281 133 ILE CA C 63.5020 0.3 1 1485 281 133 ILE CB C 39.4720 0.3 1 1486 281 133 ILE CG1 C 27.7370 0.3 1 1487 281 133 ILE CG2 C 18.0400 0.3 1 1488 281 133 ILE CD1 C 14.4300 0.3 1 1489 281 133 ILE N N 128.4810 0.2 1 stop_ save_