data_15607 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Putative 32 kDa myrosinase binding protein At3g16450.1 from Arabidopsis ; _BMRB_accession_number 15607 _BMRB_flat_file_name bmr15607.str _Entry_type original _Submission_date 2007-12-28 _Accession_date 2007-12-28 _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 Takeda Mitsuhiro . . 2 Sugimori Nozomi . . 3 Torizawa Takuya . . 4 Terauchi Tsutomu . . 5 Ono Akira M. . 6 Yagi Hirokazu . . 7 Yamaguchi Yoshiki . . 8 Kato Koichi . . 9 Ikeya Teppei . . 10 Guntert Peter . . 11 Aceti David J. . 12 Markley John L. . 13 Kainosho Masatsune . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1165 "13C chemical shifts" 766 "15N chemical shifts" 300 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-11-25 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 6140 'backbone chemical shifts of uniformly labeled At3g16450.1' stop_ _Original_release_date 2008-11-25 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of the putative 32 kDa myrosinase-binding protein from Arabidopsis (At3g16450.1) determined by SAIL-NMR.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19021763 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Takeda Mitsuhiro . . 2 Sugimori Nozomi . . 3 Torizawa Takuya . . 4 Terauchi Tsutomu . . 5 Ono Akira M. . 6 Yagi Hirokazu . . 7 Yamaguchi Yoshiki . . 8 Kato Koichi . . 9 Ikeya Teppei . . 10 Jee Jungoo . . 11 Guntert Peter . . 12 Aceti David J. . 13 Markley John L. . 14 Kainosho Masatsune . . stop_ _Journal_abbreviation 'FEBS J.' _Journal_name_full 'The FEBS journal' _Journal_volume 275 _Journal_issue 23 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5873 _Page_last 5884 _Year 2008 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_citation_2 _Saveframe_category citation _Citation_full . _Citation_title '1H, 13C and 15N backbone assignment of a 32 kDa hypothetical protein from Arabidopsis thaliana, At3g16450.1' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15756462 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sugimori Nozomi . . 2 Torizawa Takuya . . 3 Aceti David J. . 4 Thao Sandy . . 5 Markley John L. . 6 Kainosho Masatsune . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full . _Journal_volume 30 _Journal_issue 3 _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 357 _Page_last 358 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name At3g16450 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label At3g16450 $At3g16450.1 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_At3g16450.1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common At3g16450.1 _Molecular_mass 31936.729 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 299 _Mol_residue_sequence ; AQKVEAGGGAGGASWDDGVH DGVRKVHVGQGQDGVSSINV VYAKDSQDVEGGEHGKKTLL GFETFEVDADDYIVAVQVTY DNVFGQDSDIITSITFNTFK GKTSPPYGLETQKKFVLKDK NGGKLVGFHGRAGEALYALG AYFATTTTPVTPAKKLSAIG GDEGTAWDDGAYDGVKKVYV GQGQDGISAVKFEYNKGAEN IVGGEHGKPTLLGFEEFEID YPSEYITAVEGTYDKIFGSD GLIITMLRFKTNKQTSAPFG LEAGTAFELKEEGHKIVGFH GKASELLHQFGVHVMPLTN ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 GLN 3 LYS 4 VAL 5 GLU 6 ALA 7 GLY 8 GLY 9 GLY 10 ALA 11 GLY 12 GLY 13 ALA 14 SER 15 TRP 16 ASP 17 ASP 18 GLY 19 VAL 20 HIS 21 ASP 22 GLY 23 VAL 24 ARG 25 LYS 26 VAL 27 HIS 28 VAL 29 GLY 30 GLN 31 GLY 32 GLN 33 ASP 34 GLY 35 VAL 36 SER 37 SER 38 ILE 39 ASN 40 VAL 41 VAL 42 TYR 43 ALA 44 LYS 45 ASP 46 SER 47 GLN 48 ASP 49 VAL 50 GLU 51 GLY 52 GLY 53 GLU 54 HIS 55 GLY 56 LYS 57 LYS 58 THR 59 LEU 60 LEU 61 GLY 62 PHE 63 GLU 64 THR 65 PHE 66 GLU 67 VAL 68 ASP 69 ALA 70 ASP 71 ASP 72 TYR 73 ILE 74 VAL 75 ALA 76 VAL 77 GLN 78 VAL 79 THR 80 TYR 81 ASP 82 ASN 83 VAL 84 PHE 85 GLY 86 GLN 87 ASP 88 SER 89 ASP 90 ILE 91 ILE 92 THR 93 SER 94 ILE 95 THR 96 PHE 97 ASN 98 THR 99 PHE 100 LYS 101 GLY 102 LYS 103 THR 104 SER 105 PRO 106 PRO 107 TYR 108 GLY 109 LEU 110 GLU 111 THR 112 GLN 113 LYS 114 LYS 115 PHE 116 VAL 117 LEU 118 LYS 119 ASP 120 LYS 121 ASN 122 GLY 123 GLY 124 LYS 125 LEU 126 VAL 127 GLY 128 PHE 129 HIS 130 GLY 131 ARG 132 ALA 133 GLY 134 GLU 135 ALA 136 LEU 137 TYR 138 ALA 139 LEU 140 GLY 141 ALA 142 TYR 143 PHE 144 ALA 145 THR 146 THR 147 THR 148 THR 149 PRO 150 VAL 151 THR 152 PRO 153 ALA 154 LYS 155 LYS 156 LEU 157 SER 158 ALA 159 ILE 160 GLY 161 GLY 162 ASP 163 GLU 164 GLY 165 THR 166 ALA 167 TRP 168 ASP 169 ASP 170 GLY 171 ALA 172 TYR 173 ASP 174 GLY 175 VAL 176 LYS 177 LYS 178 VAL 179 TYR 180 VAL 181 GLY 182 GLN 183 GLY 184 GLN 185 ASP 186 GLY 187 ILE 188 SER 189 ALA 190 VAL 191 LYS 192 PHE 193 GLU 194 TYR 195 ASN 196 LYS 197 GLY 198 ALA 199 GLU 200 ASN 201 ILE 202 VAL 203 GLY 204 GLY 205 GLU 206 HIS 207 GLY 208 LYS 209 PRO 210 THR 211 LEU 212 LEU 213 GLY 214 PHE 215 GLU 216 GLU 217 PHE 218 GLU 219 ILE 220 ASP 221 TYR 222 PRO 223 SER 224 GLU 225 TYR 226 ILE 227 THR 228 ALA 229 VAL 230 GLU 231 GLY 232 THR 233 TYR 234 ASP 235 LYS 236 ILE 237 PHE 238 GLY 239 SER 240 ASP 241 GLY 242 LEU 243 ILE 244 ILE 245 THR 246 MET 247 LEU 248 ARG 249 PHE 250 LYS 251 THR 252 ASN 253 LYS 254 GLN 255 THR 256 SER 257 ALA 258 PRO 259 PHE 260 GLY 261 LEU 262 GLU 263 ALA 264 GLY 265 THR 266 ALA 267 PHE 268 GLU 269 LEU 270 LYS 271 GLU 272 GLU 273 GLY 274 HIS 275 LYS 276 ILE 277 VAL 278 GLY 279 PHE 280 HIS 281 GLY 282 LYS 283 ALA 284 SER 285 GLU 286 LEU 287 LEU 288 HIS 289 GLN 290 PHE 291 GLY 292 VAL 293 HIS 294 VAL 295 MET 296 PRO 297 LEU 298 THR 299 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 PDB 2JZ4 "Putative 32 Kda Myrosinase Binding Protein At3g16450.1 From Arabidopsis Thaliana" 100.00 299 100.00 100.00 0.00e+00 DBJ BAB01144 "jasmonate inducible protein; myrosinase binding protein-like [Arabidopsis thaliana]" 100.00 300 100.00 100.00 0.00e+00 DBJ BAH20032 "AT3G16450 [Arabidopsis thaliana]" 100.00 300 100.00 100.00 0.00e+00 GB AAB63632 "jasmonate inducible protein isolog [Arabidopsis thaliana]" 100.00 300 100.00 100.00 0.00e+00 GB AAK55736 "AT3g16450/MDC8_8 [Arabidopsis thaliana]" 100.00 300 100.00 100.00 0.00e+00 GB AAM65267 "putative lectin [Arabidopsis thaliana]" 99.67 300 97.32 98.99 0.00e+00 GB AAM91376 "At3g16450/MDC8_8 [Arabidopsis thaliana]" 100.00 300 100.00 100.00 0.00e+00 GB AEE75817 "jacalin-related lectin [Arabidopsis thaliana]" 100.00 300 100.00 100.00 0.00e+00 REF NP_001030711 "jacalin-related lectin [Arabidopsis thaliana]" 100.00 300 100.00 100.00 0.00e+00 REF NP_188266 "jacalin-related lectin [Arabidopsis thaliana]" 100.00 300 100.00 100.00 0.00e+00 REF NP_850596 "jacalin-related lectin [Arabidopsis thaliana]" 100.00 300 100.00 100.00 0.00e+00 SP O04311 "RecName: Full=Jacalin-related lectin 33" 100.00 300 100.00 100.00 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $At3g16450.1 . 3702 Eukaryota Viridiplantae Arabidopsis thaliana At3g16450.1 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 $At3g16450.1 'cell free synthesis' . E. "coli - cell free" . pIVEX2.3d 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 $At3g16450.1 0.2 mM 'stereo-array isotope labeling (SAIL)' 'potassium chloride' 100 mM 'natural abundance' bis-TRIS-d19 20 mM '[U-99% 2H]' D2O 10 % '[U-100% 2H]' H2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.2 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_OPALP _Saveframe_category software _Name OPALP _Version 1.4 loop_ _Vendor _Address _Electronic_address '(OPALP) Koradi, Billeter, Guntert' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _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' 0.1 . M pH 6.8 . pH pressure 1 . bar temperature 300.65 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D HNCA' '3D HNCO' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D HNCACB' '3D CBCA(CO)NH' '3D H(CCO)NH' 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 At3g16450 _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 1 1 ALA H H 8.114 0.02 1 2 1 1 ALA HA H 4.655 0.02 1 3 1 1 ALA HB H 1.152 0.02 1 4 1 1 ALA CB C 20.484 0.2 1 5 1 1 ALA N N 123.611 0.2 1 6 2 2 GLN H H 9.024 0.02 1 7 2 2 GLN HA H 4.526 0.02 1 8 2 2 GLN HB2 H 2.045 0.02 2 9 2 2 GLN HG2 H 2.338 0.02 2 10 2 2 GLN CA C 54.651 0.2 1 11 2 2 GLN CB C 30.58 0.2 1 12 2 2 GLN CG C 33.6 0.2 1 13 2 2 GLN N N 120.59 0.2 1 14 3 3 LYS H H 8.831 0.02 1 15 3 3 LYS HA H 4.142 0.02 1 16 3 3 LYS HB3 H 1.652 0.02 1 17 3 3 LYS HD3 H 1.162 0.02 1 18 3 3 LYS HE2 H 1.706 0.02 1 19 3 3 LYS HG3 H -0.191 0.02 1 20 3 3 LYS CA C 56.4 0.2 1 21 3 3 LYS CB C 34.098 0.2 1 22 3 3 LYS CD C 29.2 0.2 1 23 3 3 LYS CE C 39.757 0.2 1 24 3 3 LYS CG C 25.184 0.2 1 25 3 3 LYS N N 127.725 0.2 1 26 4 4 VAL H H 9.016 0.02 1 27 4 4 VAL HA H 4.39 0.02 1 28 4 4 VAL HB H 2.11 0.02 1 29 4 4 VAL HG2 H 1.078 0.02 1 30 4 4 VAL CA C 61.416 0.2 1 31 4 4 VAL CB C 33.047 0.2 1 32 4 4 VAL CG2 C 21.514 0.2 1 33 4 4 VAL N N 128.466 0.2 1 34 5 5 GLU H H 8.688 0.02 1 35 5 5 GLU HA H 3.905 0.02 1 36 5 5 GLU HB2 H 1.825 0.02 1 37 5 5 GLU HG2 H 2.229 0.02 1 38 5 5 GLU CA C 57.005 0.2 1 39 5 5 GLU CB C 29.78 0.2 1 40 5 5 GLU CG C 35.789 0.2 1 41 5 5 GLU N N 126.868 0.2 1 42 6 6 ALA H H 8.525 0.02 1 43 6 6 ALA HA H 3.996 0.02 1 44 6 6 ALA HB H 0.815 0.02 1 45 6 6 ALA CA C 51.088 0.2 1 46 6 6 ALA CB C 18.034 0.2 1 47 6 6 ALA N N 121.299 0.2 1 48 7 7 GLY H H 7.353 0.02 1 49 7 7 GLY HA3 H 1.328 0.02 2 50 7 7 GLY CA C 42.46 0.2 1 51 7 7 GLY N N 110.584 0.2 1 52 8 8 GLY H H 7.502 0.02 1 53 8 8 GLY HA3 H 4.423 0.02 2 54 8 8 GLY CA C 42.64 0.2 1 55 8 8 GLY N N 104.594 0.2 1 56 9 9 GLY H H 8.8 0.02 1 57 9 9 GLY HA3 H 3.805 0.02 2 58 9 9 GLY CA C 44.97 0.2 1 59 9 9 GLY N N 109.74 0.2 1 60 10 10 ALA H H 8.177 0.02 1 61 10 10 ALA HA H 4.064 0.02 1 62 10 10 ALA HB H 1.253 0.02 1 63 10 10 ALA CA C 52.271 0.2 1 64 10 10 ALA CB C 19.484 0.2 1 65 10 10 ALA N N 121.264 0.2 1 66 11 11 GLY H H 7.907 0.02 1 67 11 11 GLY HA3 H 2.809 0.02 2 68 11 11 GLY CA C 44.293 0.2 1 69 11 11 GLY N N 104.736 0.2 1 70 12 12 GLY H H 7.697 0.02 1 71 12 12 GLY HA3 H 3.765 0.02 2 72 12 12 GLY CA C 45.044 0.2 1 73 12 12 GLY N N 100.803 0.2 1 74 13 13 ALA H H 8.277 0.02 1 75 13 13 ALA HA H 4.82 0.02 1 76 13 13 ALA HB H 1.562 0.02 1 77 13 13 ALA CA C 50.645 0.2 1 78 13 13 ALA CB C 20.694 0.2 1 79 13 13 ALA N N 122.348 0.2 1 80 14 14 SER H H 8.949 0.02 1 81 14 14 SER HA H 4.892 0.02 1 82 14 14 SER HB2 H 3.821 0.02 1 83 14 14 SER CA C 59.522 0.2 1 84 14 14 SER CB C 63.726 0.2 1 85 14 14 SER N N 119.4 0.2 1 86 15 15 TRP H H 8.446 0.02 1 87 15 15 TRP HA H 4.92 0.02 1 88 15 15 TRP HB2 H 3.021 0.02 1 89 15 15 TRP HD1 H 7.042 0.02 1 90 15 15 TRP HH2 H 6.691 0.02 1 91 15 15 TRP CA C 55.11 0.2 1 92 15 15 TRP CB C 31.522 0.2 1 93 15 15 TRP CD1 C 127.222 0.2 1 94 15 15 TRP N N 120.801 0.2 1 95 16 16 ASP H H 9.072 0.02 1 96 16 16 ASP HA H 4.642 0.02 1 97 16 16 ASP HB2 H 2.583 0.02 1 98 16 16 ASP N N 120.526 0.2 1 99 17 17 ASP H H 8.991 0.02 1 100 17 17 ASP N N 125.863 0.2 1 101 21 21 ASP H H 8.377 0.02 1 102 21 21 ASP HA H 4.651 0.02 1 103 21 21 ASP HB2 H 2.506 0.02 1 104 21 21 ASP CB C 40.933 0.2 1 105 21 21 ASP N N 117.045 0.2 1 106 22 22 GLY H H 7.6 0.02 1 107 22 22 GLY HA3 H 4.418 0.02 2 108 22 22 GLY CA C 44.56 0.2 1 109 22 22 GLY N N 100.28 0.2 1 110 23 23 VAL H H 8.665 0.02 1 111 23 23 VAL HA H 4.167 0.02 1 112 23 23 VAL HB H 1.898 0.02 1 113 23 23 VAL HG2 H 0.814 0.02 1 114 23 23 VAL CA C 62.623 0.2 1 115 23 23 VAL CB C 34.913 0.2 1 116 23 23 VAL CG2 C 21.544 0.2 1 117 23 23 VAL N N 121.316 0.2 1 118 24 24 ARG H H 9.151 0.02 1 119 24 24 ARG HA H 4.451 0.02 1 120 24 24 ARG HB3 H 1.604 0.02 1 121 24 24 ARG HD2 H 3.017 0.02 1 122 24 24 ARG HG3 H 1.392 0.02 1 123 24 24 ARG CA C 56.748 0.2 1 124 24 24 ARG CB C 31.063 0.2 1 125 24 24 ARG CD C 42.432 0.2 1 126 24 24 ARG CG C 26.42 0.2 1 127 24 24 ARG N N 124.411 0.2 1 128 25 25 LYS H H 7.798 0.02 1 129 25 25 LYS HA H 4.994 0.02 1 130 25 25 LYS HB3 H 1.341 0.02 1 131 25 25 LYS HD3 H 1.324 0.02 1 132 25 25 LYS HE2 H 2.719 0.02 1 133 25 25 LYS HG3 H 0.79 0.02 1 134 25 25 LYS CA C 54.418 0.2 1 135 25 25 LYS CB C 36.48 0.2 1 136 25 25 LYS CD C 29.3 0.2 1 137 25 25 LYS CE C 41.72 0.2 1 138 25 25 LYS N N 113.947 0.2 1 139 26 26 VAL H H 8.799 0.02 1 140 26 26 VAL HA H 3.984 0.02 1 141 26 26 VAL HB H 1.573 0.02 1 142 26 26 VAL HG2 H 0.45 0.02 1 143 26 26 VAL CA C 61.786 0.2 1 144 26 26 VAL CB C 34.238 0.2 1 145 26 26 VAL CG2 C 19.774 0.2 1 146 26 26 VAL N N 118.83 0.2 1 147 27 27 HIS H H 8.948 0.02 1 148 27 27 HIS HA H 5.425 0.02 1 149 27 27 HIS HB3 H 2.119 0.02 1 150 27 27 HIS HE1 H 7.545 0.02 1 151 27 27 HIS CA C 53.99 0.2 1 152 27 27 HIS CB C 30.676 0.2 1 153 27 27 HIS CE1 C 138.543 0.2 1 154 27 27 HIS N N 126.323 0.2 1 155 28 28 VAL H H 9.446 0.02 1 156 28 28 VAL HA H 4.439 0.02 1 157 28 28 VAL HB H 1.675 0.02 1 158 28 28 VAL HG2 H 0.582 0.02 1 159 28 28 VAL CA C 61.744 0.2 1 160 28 28 VAL CB C 33.064 0.2 1 161 28 28 VAL CG2 C 20.154 0.2 1 162 28 28 VAL N N 125.767 0.2 1 163 29 29 GLY H H 9.124 0.02 1 164 29 29 GLY HA3 H 3.64 0.02 2 165 29 29 GLY CA C 45.24 0.2 1 166 29 29 GLY N N 118.923 0.2 1 167 30 30 GLN H H 8.501 0.02 1 168 30 30 GLN HA H 4.687 0.02 1 169 30 30 GLN HB2 H 1.854 0.02 1 170 30 30 GLN HE21 H 6.374 0.02 2 171 30 30 GLN HE22 H 7.531 0.02 2 172 30 30 GLN HG2 H 2.278 0.02 1 173 30 30 GLN CA C 55.525 0.2 1 174 30 30 GLN CB C 30.888 0.2 1 175 30 30 GLN CG C 33.732 0.2 1 176 30 30 GLN N N 124.208 0.2 1 177 30 30 GLN NE2 N 110.356 0.2 1 178 31 31 GLY H H 8.469 0.02 1 179 31 31 GLY HA3 H 3.9 0.02 2 180 31 31 GLY CA C 44.152 0.2 1 181 31 31 GLY N N 111.235 0.2 1 182 32 32 GLN H H 8.751 0.02 1 183 32 32 GLN HA H 3.982 0.02 1 184 32 32 GLN HB2 H 2.002 0.02 1 185 32 32 GLN HE21 H 6.894 0.02 2 186 32 32 GLN HE22 H 7.513 0.02 2 187 32 32 GLN HG2 H 2.336 0.02 1 188 32 32 GLN CA C 58.63 0.2 1 189 32 32 GLN CB C 28.74 0.2 1 190 32 32 GLN CG C 33.6 0.2 1 191 32 32 GLN N N 119.629 0.2 1 192 32 32 GLN NE2 N 112.6 0.2 1 193 33 33 ASP H H 8.347 0.02 1 194 33 33 ASP HA H 4.739 0.02 1 195 33 33 ASP HB2 H 2.382 0.02 1 196 33 33 ASP CB C 42.55 0.2 1 197 33 33 ASP N N 114.682 0.2 1 198 34 34 GLY H H 7.017 0.02 1 199 34 34 GLY HA3 H 4.289 0.02 2 200 34 34 GLY CA C 45.544 0.2 1 201 34 34 GLY N N 103.956 0.2 1 202 35 35 VAL H H 8.443 0.02 1 203 35 35 VAL HA H 4 0.02 1 204 35 35 VAL HB H 1.786 0.02 1 205 35 35 VAL HG2 H 0.684 0.02 1 206 35 35 VAL CA C 63.576 0.2 1 207 35 35 VAL CB C 31.94 0.2 1 208 35 35 VAL CG2 C 21.244 0.2 1 209 35 35 VAL N N 123.118 0.2 1 210 36 36 SER H H 8.622 0.02 1 211 36 36 SER HA H 4.334 0.02 1 212 36 36 SER HB2 H 3.941 0.02 1 213 36 36 SER CA C 59.676 0.2 1 214 36 36 SER CB C 65.066 0.2 1 215 36 36 SER N N 122.4 0.2 1 216 37 37 SER H H 7.401 0.02 1 217 37 37 SER HA H 5.213 0.02 1 218 37 37 SER HB2 H 3.211 0.02 1 219 37 37 SER CA C 56.929 0.2 1 220 37 37 SER CB C 65.406 0.2 1 221 37 37 SER N N 112.433 0.2 1 222 38 38 ILE H H 8.195 0.02 1 223 38 38 ILE HA H 5.122 0.02 1 224 38 38 ILE HB H 1.451 0.02 1 225 38 38 ILE HD1 H 0.33 0.02 1 226 38 38 ILE HG12 H 0.699 0.02 1 227 38 38 ILE HG2 H 0.686 0.02 1 228 38 38 ILE CA C 59.616 0.2 1 229 38 38 ILE CB C 42.728 0.2 1 230 38 38 ILE CD1 C 12.746 0.2 1 231 38 38 ILE CG1 C 27.92 0.2 1 232 38 38 ILE CG2 C 16.384 0.2 1 233 38 38 ILE N N 117.611 0.2 1 234 39 39 ASN H H 8.162 0.02 1 235 39 39 ASN HA H 4.694 0.02 1 236 39 39 ASN HB2 H 2.149 0.02 1 237 39 39 ASN HD21 H 6.615 0.02 2 238 39 39 ASN HD22 H 6.564 0.02 2 239 39 39 ASN CB C 40.8 0.2 1 240 39 39 ASN N N 122.782 0.2 1 241 39 39 ASN ND2 N 106.997 0.2 1 242 40 40 VAL H H 9.599 0.02 1 243 40 40 VAL HA H 3.992 0.02 1 244 40 40 VAL HB H 1.728 0.02 1 245 40 40 VAL HG2 H 0.74 0.02 1 246 40 40 VAL CA C 61.786 0.2 1 247 40 40 VAL CB C 34.003 0.2 1 248 40 40 VAL CG2 C 21.318 0.2 1 249 40 40 VAL N N 129.438 0.2 1 250 41 41 VAL H H 8.438 0.02 1 251 41 41 VAL HA H 4.245 0.02 1 252 41 41 VAL HB H 1.644 0.02 1 253 41 41 VAL HG2 H 0.666 0.02 1 254 41 41 VAL CA C 61.566 0.2 1 255 41 41 VAL CB C 31.68 0.2 1 256 41 41 VAL CG2 C 19.954 0.2 1 257 41 41 VAL N N 124.682 0.2 1 258 42 42 TYR H H 9.369 0.02 1 259 42 42 TYR HA H 4.674 0.02 1 260 42 42 TYR HB3 H 2.855 0.02 1 261 42 42 TYR HE1 H 6.882 0.02 3 262 42 42 TYR HE2 H 6.882 0.02 3 263 42 42 TYR CB C 40.654 0.2 1 264 42 42 TYR CE1 C 121.209 0.2 3 265 42 42 TYR N N 127.808 0.2 1 266 43 43 ALA H H 7.726 0.02 1 267 43 43 ALA HA H 4.894 0.02 1 268 43 43 ALA HB H 1.084 0.02 1 269 43 43 ALA CA C 50.81 0.2 1 270 43 43 ALA CB C 20.349 0.2 1 271 43 43 ALA N N 120.777 0.2 1 272 44 44 LYS H H 8.514 0.02 1 273 44 44 LYS HA H 4.416 0.02 1 274 44 44 LYS HB3 H 1.728 0.02 1 275 44 44 LYS HD3 H 1.578 0.02 1 276 44 44 LYS HE2 H 2.922 0.02 1 277 44 44 LYS HG3 H 1.301 0.02 1 278 44 44 LYS CA C 56.06 0.2 1 279 44 44 LYS CB C 34.42 0.2 1 280 44 44 LYS CD C 28.73 0.2 1 281 44 44 LYS N N 123.522 0.2 1 282 45 45 ASP H H 9.466 0.02 1 283 45 45 ASP HA H 4.201 0.02 1 284 45 45 ASP HB2 H 2.735 0.02 1 285 45 45 ASP CA C 56.69 0.2 1 286 45 45 ASP CB C 39.754 0.2 1 287 45 45 ASP N N 129.084 0.2 1 288 46 46 SER H H 8.75 0.02 1 289 46 46 SER N N 112.987 0.2 1 290 47 47 GLN H H 8.18 0.02 1 291 47 47 GLN HA H 4.571 0.02 1 292 47 47 GLN HB2 H 2.031 0.02 1 293 47 47 GLN HG2 H 2.319 0.02 1 294 47 47 GLN CA C 54.512 0.2 1 295 47 47 GLN CB C 31.24 0.2 1 296 47 47 GLN N N 120.889 0.2 1 297 48 48 ASP H H 8.435 0.02 1 298 48 48 ASP HA H 5.272 0.02 1 299 48 48 ASP HB2 H 2.494 0.02 1 300 48 48 ASP CA C 53.6 0.2 1 301 48 48 ASP CB C 41.24 0.2 1 302 48 48 ASP N N 122.804 0.2 1 303 49 49 VAL H H 8.903 0.02 1 304 49 49 VAL HA H 4.308 0.02 1 305 49 49 VAL HB H 1.81 0.02 1 306 49 49 VAL HG2 H 0.868 0.02 1 307 49 49 VAL CA C 61.176 0.2 1 308 49 49 VAL CB C 34.982 0.2 1 309 49 49 VAL CG2 C 20.704 0.2 1 310 49 49 VAL N N 122.227 0.2 1 311 50 50 GLU H H 8.882 0.02 1 312 50 50 GLU HA H 4.68 0.02 1 313 50 50 GLU HB2 H 1.883 0.02 1 314 50 50 GLU HG2 H 2.059 0.02 1 315 50 50 GLU CB C 29.951 0.2 1 316 50 50 GLU CG C 36.466 0.2 1 317 50 50 GLU N N 127.565 0.2 1 318 51 51 GLY H H 9.74 0.02 1 319 51 51 GLY HA3 H 4.286 0.02 2 320 51 51 GLY CA C 46.38 0.2 1 321 51 51 GLY N N 114.787 0.2 1 322 52 52 GLY H H 7.52 0.02 1 323 52 52 GLY HA3 H 3.982 0.02 2 324 52 52 GLY CA C 43.2 0.2 1 325 52 52 GLY N N 107.856 0.2 1 326 53 53 GLU H H 7.781 0.02 1 327 53 53 GLU HA H 3.748 0.02 1 328 53 53 GLU HB2 H 1.523 0.02 1 329 53 53 GLU HG2 H 1.705 0.02 1 330 53 53 GLU CA C 56.797 0.2 1 331 53 53 GLU CB C 30.23 0.2 1 332 53 53 GLU CG C 36.299 0.2 1 333 53 53 GLU N N 118.707 0.2 1 334 54 54 HIS H H 8.452 0.02 1 335 54 54 HIS HA H 4.611 0.02 1 336 54 54 HIS HB3 H 1.3 0.02 1 337 54 54 HIS HD2 H 5.636 0.02 1 338 54 54 HIS CB C 27.67 0.2 1 339 54 54 HIS CD2 C 120.693 0.2 1 340 54 54 HIS N N 124.475 0.2 1 341 55 55 GLY H H 8.363 0.02 1 342 55 55 GLY HA3 H 4.723 0.02 2 343 55 55 GLY N N 111.409 0.2 1 344 56 56 LYS H H 7.653 0.02 1 345 56 56 LYS HA H 4.35 0.02 1 346 56 56 LYS HB3 H 1.592 0.02 1 347 56 56 LYS HD3 H 1.641 0.02 1 348 56 56 LYS HE2 H 2.965 0.02 1 349 56 56 LYS HG3 H 1.302 0.02 1 350 56 56 LYS CA C 55.144 0.2 1 351 56 56 LYS CB C 34.664 0.2 1 352 56 56 LYS CE C 41.99 0.2 1 353 56 56 LYS CG C 24.504 0.2 1 354 56 56 LYS N N 121.591 0.2 1 355 57 57 LYS H H 8.306 0.02 1 356 57 57 LYS HA H 4.158 0.02 1 357 57 57 LYS HB3 H 1.597 0.02 1 358 57 57 LYS HD3 H 1.513 0.02 1 359 57 57 LYS HE2 H 2.792 0.02 1 360 57 57 LYS HG3 H 1.281 0.02 1 361 57 57 LYS CA C 56.46 0.2 1 362 57 57 LYS CB C 32.323 0.2 1 363 57 57 LYS CD C 28.79 0.2 1 364 57 57 LYS CE C 41.44 0.2 1 365 57 57 LYS CG C 23.799 0.2 1 366 57 57 LYS N N 125.881 0.2 1 367 58 58 THR H H 8.933 0.02 1 368 58 58 THR HA H 4.691 0.02 1 369 58 58 THR HB H 4.485 0.02 1 370 58 58 THR HG2 H 1.126 0.02 1 371 58 58 THR CB C 71.453 0.2 1 372 58 58 THR N N 116.638 0.2 1 373 59 59 LEU H H 8.52 0.02 1 374 59 59 LEU HA H 4.229 0.02 1 375 59 59 LEU HB3 H 1.604 0.02 1 376 59 59 LEU HD1 H 0.833 0.02 1 377 59 59 LEU HG H 1.629 0.02 1 378 59 59 LEU CA C 56.417 0.2 1 379 59 59 LEU CB C 41.28 0.2 1 380 59 59 LEU CD1 C 24.424 0.2 1 381 59 59 LEU CG C 26.747 0.2 1 382 59 59 LEU N N 121.398 0.2 1 383 60 60 LEU H H 8.079 0.02 1 384 60 60 LEU HA H 4.175 0.02 1 385 60 60 LEU HB3 H 1.448 0.02 1 386 60 60 LEU HD1 H 0.689 0.02 1 387 60 60 LEU HG H 1.504 0.02 1 388 60 60 LEU CA C 55.73 0.2 1 389 60 60 LEU CB C 41.376 0.2 1 390 60 60 LEU CG C 26.831 0.2 1 391 60 60 LEU N N 118.945 0.2 1 392 61 61 GLY H H 7.628 0.02 1 393 61 61 GLY HA3 H 4.079 0.02 2 394 61 61 GLY CA C 44.958 0.2 1 395 61 61 GLY N N 105.983 0.2 1 396 62 62 PHE H H 8.108 0.02 1 397 62 62 PHE HA H 5.276 0.02 1 398 62 62 PHE HB3 H 2.793 0.02 1 399 62 62 PHE HE1 H 6.975 0.02 3 400 62 62 PHE HE2 H 6.975 0.02 3 401 62 62 PHE CA C 56.22 0.2 1 402 62 62 PHE CB C 41.44 0.2 1 403 62 62 PHE CE1 C 131.124 0.2 3 404 62 62 PHE N N 117.469 0.2 1 405 63 63 GLU H H 8.558 0.02 1 406 63 63 GLU HA H 4.689 0.02 1 407 63 63 GLU HB2 H 1.768 0.02 1 408 63 63 GLU HG2 H 2.309 0.02 1 409 63 63 GLU CA C 54.963 0.2 1 410 63 63 GLU CB C 33.8 0.2 1 411 63 63 GLU CG C 36.59 0.2 1 412 63 63 GLU N N 120.338 0.2 1 413 64 64 THR H H 8.918 0.02 1 414 64 64 THR HA H 5.271 0.02 1 415 64 64 THR HB H 3.758 0.02 1 416 64 64 THR HG2 H 0.899 0.02 1 417 64 64 THR CA C 62.796 0.2 1 418 64 64 THR CG2 C 21.644 0.2 1 419 64 64 THR N N 117.895 0.2 1 420 65 65 PHE H H 9.177 0.02 1 421 65 65 PHE HA H 4.882 0.02 1 422 65 65 PHE HB3 H 2.307 0.02 1 423 65 65 PHE HE1 H 6.929 0.02 3 424 65 65 PHE HE2 H 6.929 0.02 3 425 65 65 PHE CA C 56.78 0.2 1 426 65 65 PHE CB C 40.422 0.2 1 427 65 65 PHE CE1 C 130.696 0.2 3 428 65 65 PHE N N 129.841 0.2 1 429 66 66 GLU H H 8.083 0.02 1 430 66 66 GLU HA H 4.234 0.02 1 431 66 66 GLU HB2 H 1.548 0.02 1 432 66 66 GLU HG2 H 1.759 0.02 1 433 66 66 GLU CA C 55.08 0.2 1 434 66 66 GLU CB C 31.12 0.2 1 435 66 66 GLU CG C 36.491 0.2 1 436 66 66 GLU N N 127.811 0.2 1 437 67 67 VAL H H 7.581 0.02 1 438 67 67 VAL HA H 3.629 0.02 1 439 67 67 VAL HB H 1.876 0.02 1 440 67 67 VAL HG2 H 0.462 0.02 1 441 67 67 VAL CA C 60.986 0.2 1 442 67 67 VAL CB C 32.051 0.2 1 443 67 67 VAL CG2 C 21.832 0.2 1 444 67 67 VAL N N 123.858 0.2 1 445 68 68 ASP H H 9.304 0.02 1 446 68 68 ASP HA H 4.415 0.02 1 447 68 68 ASP HB2 H 2.568 0.02 1 448 68 68 ASP CA C 55.24 0.2 1 449 68 68 ASP CB C 41.453 0.2 1 450 68 68 ASP N N 129.264 0.2 1 451 69 69 ALA H H 8.576 0.02 1 452 69 69 ALA HA H 4.087 0.02 1 453 69 69 ALA HB H 1.371 0.02 1 454 69 69 ALA CA C 54.818 0.2 1 455 69 69 ALA CB C 18.084 0.2 1 456 69 69 ALA N N 122.049 0.2 1 457 70 70 ASP H H 8.405 0.02 1 458 70 70 ASP HA H 4.642 0.02 1 459 70 70 ASP HB2 H 2.896 0.02 1 460 70 70 ASP CA C 53.24 0.2 1 461 70 70 ASP CB C 39.621 0.2 1 462 70 70 ASP N N 115.153 0.2 1 463 71 71 ASP H H 7.939 0.02 1 464 71 71 ASP HA H 5.243 0.02 1 465 71 71 ASP HB2 H 2.399 0.02 1 466 71 71 ASP CA C 51.014 0.2 1 467 71 71 ASP CB C 45.54 0.2 1 468 71 71 ASP N N 120.472 0.2 1 469 72 72 TYR H H 8.921 0.02 1 470 72 72 TYR HA H 4.864 0.02 1 471 72 72 TYR HB3 H 3.48 0.02 1 472 72 72 TYR CA C 56.9 0.2 1 473 72 72 TYR CB C 38.58 0.2 1 474 72 72 TYR N N 112.471 0.2 1 475 73 73 ILE H H 9.921 0.02 1 476 73 73 ILE HA H 4.173 0.02 1 477 73 73 ILE HB H 2.065 0.02 1 478 73 73 ILE HD1 H 0.739 0.02 1 479 73 73 ILE HG12 H 0.867 0.02 1 480 73 73 ILE HG2 H 1.223 0.02 1 481 73 73 ILE CA C 63.78 0.2 1 482 73 73 ILE CB C 38.69 0.2 1 483 73 73 ILE CD1 C 13.134 0.2 1 484 73 73 ILE CG1 C 29.11 0.2 1 485 73 73 ILE CG2 C 19.08 0.2 1 486 73 73 ILE N N 121.769 0.2 1 487 74 74 VAL H H 8.778 0.02 1 488 74 74 VAL HA H 5.155 0.02 1 489 74 74 VAL HB H 2.307 0.02 1 490 74 74 VAL HG2 H 0.826 0.02 1 491 74 74 VAL CA C 60.946 0.2 1 492 74 74 VAL CB C 34.176 0.2 1 493 74 74 VAL CG2 C 18.293 0.2 1 494 74 74 VAL N N 118.379 0.2 1 495 75 75 ALA H H 8.01 0.02 1 496 75 75 ALA HA H 5.668 0.02 1 497 75 75 ALA HB H 1.344 0.02 1 498 75 75 ALA CA C 51.697 0.2 1 499 75 75 ALA CB C 22.154 0.2 1 500 75 75 ALA N N 121.13 0.2 1 501 76 76 VAL H H 8.867 0.02 1 502 76 76 VAL HA H 4.755 0.02 1 503 76 76 VAL HB H 2.084 0.02 1 504 76 76 VAL HG2 H 1.143 0.02 1 505 76 76 VAL CB C 34.483 0.2 1 506 76 76 VAL CG2 C 21.2 0.2 1 507 76 76 VAL N N 119.82 0.2 1 508 77 77 GLN H H 9.206 0.02 1 509 77 77 GLN HA H 4.655 0.02 1 510 77 77 GLN HB2 H 1.801 0.02 1 511 77 77 GLN HE21 H 6.699 0.02 2 512 77 77 GLN HE22 H 7.588 0.02 2 513 77 77 GLN HG2 H 1.976 0.02 1 514 77 77 GLN CB C 29.854 0.2 1 515 77 77 GLN CG C 33.55 0.2 1 516 77 77 GLN N N 126.566 0.2 1 517 77 77 GLN NE2 N 111.89 0.2 1 518 78 78 VAL H H 8.926 0.02 1 519 78 78 VAL HA H 4.729 0.02 1 520 78 78 VAL HB H 0.211 0.02 1 521 78 78 VAL HG2 H 0.459 0.02 1 522 78 78 VAL CB C 33.46 0.2 1 523 78 78 VAL CG2 C 21.602 0.2 1 524 78 78 VAL N N 129.652 0.2 1 525 79 79 THR H H 8.408 0.02 1 526 79 79 THR HA H 5.847 0.02 1 527 79 79 THR HB H 4.449 0.02 1 528 79 79 THR HG2 H 0.99 0.02 1 529 79 79 THR CA C 59.522 0.2 1 530 79 79 THR CB C 71.744 0.2 1 531 79 79 THR CG2 C 20.289 0.2 1 532 79 79 THR N N 114.519 0.2 1 533 80 80 TYR H H 8.494 0.02 1 534 80 80 TYR HA H 5.652 0.02 1 535 80 80 TYR HB3 H 2.925 0.02 1 536 80 80 TYR HE1 H 6.694 0.02 3 537 80 80 TYR HE2 H 6.694 0.02 3 538 80 80 TYR CA C 56.544 0.2 1 539 80 80 TYR CB C 41.31 0.2 1 540 80 80 TYR CE1 C 118.483 0.2 3 541 80 80 TYR N N 119.01 0.2 1 542 81 81 ASP H H 9.11 0.02 1 543 81 81 ASP HA H 4.772 0.02 1 544 81 81 ASP HB2 H 2.724 0.02 1 545 81 81 ASP CA C 53.54 0.2 1 546 81 81 ASP CB C 45.263 0.2 1 547 81 81 ASP N N 117.72 0.2 1 548 82 82 ASN H H 8.894 0.02 1 549 82 82 ASN HA H 5.048 0.02 1 550 82 82 ASN HB2 H 2.721 0.02 1 551 82 82 ASN HD21 H 7.579 0.02 2 552 82 82 ASN HD22 H 6.724 0.02 2 553 82 82 ASN CA C 53.31 0.2 1 554 82 82 ASN CB C 39.814 0.2 1 555 82 82 ASN N N 118.705 0.2 1 556 82 82 ASN ND2 N 111.816 0.2 1 557 83 83 VAL H H 8.648 0.02 1 558 83 83 VAL HA H 4.21 0.02 1 559 83 83 VAL HB H 1.883 0.02 1 560 83 83 VAL HG2 H 0.746 0.02 1 561 83 83 VAL CA C 61.226 0.2 1 562 83 83 VAL CB C 33.93 0.2 1 563 83 83 VAL CG2 C 19.694 0.2 1 564 83 83 VAL N N 120.651 0.2 1 565 84 84 PHE H H 8.559 0.02 1 566 84 84 PHE HA H 4.312 0.02 1 567 84 84 PHE HB3 H 2.983 0.02 1 568 84 84 PHE CA C 59.656 0.2 1 569 84 84 PHE CB C 38.62 0.2 1 570 84 84 PHE N N 124.137 0.2 1 571 85 85 GLY H H 8.249 0.02 1 572 85 85 GLY HA3 H 3.936 0.02 2 573 85 85 GLY CA C 45.14 0.2 1 574 85 85 GLY N N 113.276 0.2 1 575 86 86 GLN H H 7.721 0.02 1 576 86 86 GLN HA H 4.542 0.02 1 577 86 86 GLN HB2 H 1.986 0.02 1 578 86 86 GLN HE21 H 6.515 0.02 2 579 86 86 GLN HE22 H 6.361 0.02 2 580 86 86 GLN HG2 H 2.254 0.02 1 581 86 86 GLN CA C 54.3 0.2 1 582 86 86 GLN CB C 30.11 0.2 1 583 86 86 GLN CG C 33.096 0.2 1 584 86 86 GLN N N 117.604 0.2 1 585 86 86 GLN NE2 N 109.147 0.2 1 586 87 87 ASP H H 8.522 0.02 1 587 87 87 ASP HA H 4.494 0.02 1 588 87 87 ASP HB2 H 2.549 0.02 1 589 87 87 ASP CA C 55.44 0.2 1 590 87 87 ASP CB C 40.943 0.2 1 591 87 87 ASP N N 121.27 0.2 1 592 88 88 SER H H 7.578 0.02 1 593 88 88 SER HA H 4.498 0.02 1 594 88 88 SER HB2 H 3.469 0.02 1 595 88 88 SER CA C 56.714 0.2 1 596 88 88 SER CB C 64.326 0.2 1 597 88 88 SER N N 111.574 0.2 1 598 89 89 ASP H H 8.391 0.02 1 599 89 89 ASP HA H 4.894 0.02 1 600 89 89 ASP HB2 H 2.225 0.02 1 601 89 89 ASP CA C 56.13 0.2 1 602 89 89 ASP CB C 41.846 0.2 1 603 89 89 ASP N N 125.606 0.2 1 604 90 90 ILE H H 8.824 0.02 1 605 90 90 ILE HA H 4.962 0.02 1 606 90 90 ILE HB H 1.769 0.02 1 607 90 90 ILE HD1 H 0.617 0.02 1 608 90 90 ILE HG12 H 1.045 0.02 1 609 90 90 ILE HG2 H 0.754 0.02 1 610 90 90 ILE CA C 59.746 0.2 1 611 90 90 ILE CB C 41.96 0.2 1 612 90 90 ILE CD1 C 13.944 0.2 1 613 90 90 ILE CG1 C 25.798 0.2 1 614 90 90 ILE CG2 C 17.234 0.2 1 615 90 90 ILE N N 114.299 0.2 1 616 91 91 ILE H H 8.269 0.02 1 617 91 91 ILE HA H 4.317 0.02 1 618 91 91 ILE HB H 1.852 0.02 1 619 91 91 ILE HD1 H 0.839 0.02 1 620 91 91 ILE HG12 H 1.271 0.02 1 621 91 91 ILE HG2 H 0.874 0.02 1 622 91 91 ILE CA C 61.017 0.2 1 623 91 91 ILE CB C 36.015 0.2 1 624 91 91 ILE CD1 C 11.6 0.2 1 625 91 91 ILE CG1 C 27.95 0.2 1 626 91 91 ILE CG2 C 17.574 0.2 1 627 91 91 ILE N N 121.134 0.2 1 628 92 92 THR H H 9.514 0.02 1 629 92 92 THR HA H 4.613 0.02 1 630 92 92 THR HB H 4.866 0.02 1 631 92 92 THR HG2 H 1.247 0.02 1 632 92 92 THR CB C 69.406 0.2 1 633 92 92 THR CG2 C 22.794 0.2 1 634 92 92 THR N N 118.024 0.2 1 635 93 93 SER H H 7.595 0.02 1 636 93 93 SER HA H 5.517 0.02 1 637 93 93 SER HB2 H 3.179 0.02 1 638 93 93 SER CA C 58.64 0.2 1 639 93 93 SER CB C 66.366 0.2 1 640 93 93 SER N N 115.519 0.2 1 641 94 94 ILE H H 8.127 0.02 1 642 94 94 ILE HA H 4.417 0.02 1 643 94 94 ILE HB H 1.212 0.02 1 644 94 94 ILE HD1 H 0.611 0.02 1 645 94 94 ILE HG12 H 0.611 0.02 1 646 94 94 ILE HG2 H 0.081 0.02 1 647 94 94 ILE CA C 61.215 0.2 1 648 94 94 ILE CB C 43.21 0.2 1 649 94 94 ILE CD1 C 14.024 0.2 1 650 94 94 ILE CG1 C 27.42 0.2 1 651 94 94 ILE CG2 C 18.394 0.2 1 652 94 94 ILE N N 117.946 0.2 1 653 95 95 THR H H 8.314 0.02 1 654 95 95 THR HA H 4.076 0.02 1 655 95 95 THR HB H 3.56 0.02 1 656 95 95 THR HG2 H 0.902 0.02 1 657 95 95 THR CB C 71.675 0.2 1 658 95 95 THR CG2 C 20.514 0.2 1 659 95 95 THR N N 121.345 0.2 1 660 96 96 PHE H H 8.649 0.02 1 661 96 96 PHE HA H 4.951 0.02 1 662 96 96 PHE HB3 H 2.621 0.02 1 663 96 96 PHE HE1 H 7.073 0.02 3 664 96 96 PHE HE2 H 7.073 0.02 3 665 96 96 PHE CA C 57.31 0.2 1 666 96 96 PHE CB C 42.703 0.2 1 667 96 96 PHE CE1 C 129.696 0.2 3 668 96 96 PHE N N 123.924 0.2 1 669 97 97 ASN H H 8.832 0.02 1 670 97 97 ASN HA H 5.89 0.02 1 671 97 97 ASN HB2 H 2.644 0.02 1 672 97 97 ASN HD21 H 6.898 0.02 2 673 97 97 ASN HD22 H 6.786 0.02 2 674 97 97 ASN CA C 52.59 0.2 1 675 97 97 ASN CB C 42.552 0.2 1 676 97 97 ASN N N 118.223 0.2 1 677 97 97 ASN ND2 N 109.626 0.2 1 678 98 98 THR H H 9.37 0.02 1 679 98 98 THR HA H 5.578 0.02 1 680 98 98 THR HB H 4.936 0.02 1 681 98 98 THR HG2 H 1.204 0.02 1 682 98 98 THR CA C 60.296 0.2 1 683 98 98 THR CB C 69.872 0.2 1 684 98 98 THR CG2 C 20.909 0.2 1 685 98 98 THR N N 114.67 0.2 1 686 99 99 PHE H H 9.191 0.02 1 687 99 99 PHE HA H 4.012 0.02 1 688 99 99 PHE HB3 H 2.501 0.02 1 689 99 99 PHE HE1 H 7.313 0.02 3 690 99 99 PHE HE2 H 7.313 0.02 3 691 99 99 PHE CA C 60.67 0.2 1 692 99 99 PHE CB C 38.07 0.2 1 693 99 99 PHE CE1 C 131.069 0.2 3 694 99 99 PHE N N 126.31 0.2 1 695 100 100 LYS H H 9.615 0.02 1 696 100 100 LYS HA H 3.776 0.02 1 697 100 100 LYS HB3 H 1.876 0.02 1 698 100 100 LYS HD3 H 1.501 0.02 1 699 100 100 LYS HE2 H 2.98 0.02 1 700 100 100 LYS HG3 H 1.588 0.02 1 701 100 100 LYS CA C 56.803 0.2 1 702 100 100 LYS CB C 31.133 0.2 1 703 100 100 LYS CD C 28.52 0.2 1 704 100 100 LYS CE C 41.7 0.2 1 705 100 100 LYS CG C 25.544 0.2 1 706 100 100 LYS N N 117.788 0.2 1 707 101 101 GLY H H 7.978 0.02 1 708 101 101 GLY HA3 H 4.118 0.02 2 709 101 101 GLY CA C 45.217 0.2 1 710 101 101 GLY N N 107.391 0.2 1 711 102 102 LYS H H 7.774 0.02 1 712 102 102 LYS HA H 4.48 0.02 1 713 102 102 LYS HB3 H 1.899 0.02 1 714 102 102 LYS HD3 H 1.621 0.02 1 715 102 102 LYS HE2 H 2.941 0.02 1 716 102 102 LYS HG3 H 1.347 0.02 1 717 102 102 LYS CA C 55.955 0.2 1 718 102 102 LYS CB C 32.302 0.2 1 719 102 102 LYS CD C 28.91 0.2 1 720 102 102 LYS N N 120.775 0.2 1 721 103 103 THR H H 8.483 0.02 1 722 103 103 THR HA H 5.346 0.02 1 723 103 103 THR HB H 3.839 0.02 1 724 103 103 THR HG2 H 1.201 0.02 1 725 103 103 THR CA C 60.946 0.2 1 726 103 103 THR CB C 71.036 0.2 1 727 103 103 THR CG2 C 20.942 0.2 1 728 103 103 THR N N 119.348 0.2 1 729 104 104 SER H H 8.945 0.02 1 730 104 104 SER HA H 4.736 0.02 1 731 104 104 SER HB2 H 4.611 0.02 1 732 104 104 SER CA C 57.76 0.2 1 733 104 104 SER CB C 63.41 0.2 1 734 104 104 SER N N 125.07 0.2 1 735 105 105 PRO HA H 4.599 0.02 1 736 105 105 PRO HB2 H 1.313 0.02 1 737 105 105 PRO HD3 H 3.803 0.02 1 738 105 105 PRO HG2 H 1.782 0.02 1 739 105 105 PRO CA C 62.136 0.2 1 740 105 105 PRO CB C 29.72 0.2 1 741 105 105 PRO CD C 49.4 0.2 1 742 105 105 PRO CG C 26.98 0.2 1 743 106 106 PRO HA H 4.494 0.02 1 744 106 106 PRO HB2 H 1.485 0.02 1 745 106 106 PRO HD3 H 3.588 0.02 1 746 106 106 PRO HG2 H 2.029 0.02 1 747 106 106 PRO CA C 62.166 0.2 1 748 106 106 PRO CB C 29.327 0.2 1 749 106 106 PRO CD C 48.56 0.2 1 750 106 106 PRO CG C 26.92 0.2 1 751 107 107 TYR H H 8.43 0.02 1 752 107 107 TYR HA H 4.523 0.02 1 753 107 107 TYR HB3 H 2.782 0.02 1 754 107 107 TYR HE1 H 6.761 0.02 3 755 107 107 TYR HE2 H 6.761 0.02 3 756 107 107 TYR CA C 57.778 0.2 1 757 107 107 TYR CB C 37.7 0.2 1 758 107 107 TYR CE1 C 117.437 0.2 3 759 107 107 TYR N N 126.752 0.2 1 760 108 108 GLY H H 8.329 0.02 1 761 108 108 GLY HA3 H 4.76 0.02 2 762 108 108 GLY CA C 43.57 0.2 1 763 108 108 GLY N N 110.352 0.2 1 764 109 109 LEU H H 8.114 0.02 1 765 109 109 LEU HA H 4.384 0.02 1 766 109 109 LEU HB3 H 1.413 0.02 1 767 109 109 LEU HD1 H 0.77 0.02 1 768 109 109 LEU HG H 1.313 0.02 1 769 109 109 LEU CA C 53.827 0.2 1 770 109 109 LEU CB C 43.618 0.2 1 771 109 109 LEU CD1 C 23.844 0.2 1 772 109 109 LEU CG C 26.65 0.2 1 773 109 109 LEU N N 125.022 0.2 1 774 110 110 GLU H H 8.422 0.02 1 775 110 110 GLU HA H 3.994 0.02 1 776 110 110 GLU HB2 H 1.744 0.02 1 777 110 110 GLU HG2 H 1.935 0.02 1 778 110 110 GLU CA C 57.24 0.2 1 779 110 110 GLU CB C 30.055 0.2 1 780 110 110 GLU CG C 36.725 0.2 1 781 110 110 GLU N N 123.769 0.2 1 782 111 111 THR H H 7.348 0.02 1 783 111 111 THR HA H 4.566 0.02 1 784 111 111 THR HB H 4.664 0.02 1 785 111 111 THR HG2 H 1.136 0.02 1 786 111 111 THR CA C 60.976 0.2 1 787 111 111 THR CG2 C 21.27 0.2 1 788 111 111 THR N N 116.221 0.2 1 789 112 112 GLN H H 8.071 0.02 1 790 112 112 GLN HA H 3.929 0.02 1 791 112 112 GLN HB2 H 1.974 0.02 1 792 112 112 GLN HE21 H 7.907 0.02 2 793 112 112 GLN HE22 H 6.577 0.02 2 794 112 112 GLN HG2 H 2.282 0.02 1 795 112 112 GLN CA C 58.93 0.2 1 796 112 112 GLN CB C 29.67 0.2 1 797 112 112 GLN CG C 33.94 0.2 1 798 112 112 GLN N N 115.661 0.2 1 799 112 112 GLN NE2 N 111.887 0.2 1 800 113 113 LYS H H 8.06 0.02 1 801 113 113 LYS HA H 4.175 0.02 1 802 113 113 LYS HB3 H 0.765 0.02 1 803 113 113 LYS HD3 H 1.487 0.02 1 804 113 113 LYS HE2 H 2.809 0.02 1 805 113 113 LYS HG3 H 1.237 0.02 1 806 113 113 LYS CA C 57.12 0.2 1 807 113 113 LYS CB C 29.926 0.2 1 808 113 113 LYS CD C 29.53 0.2 1 809 113 113 LYS CE C 41.92 0.2 1 810 113 113 LYS CG C 24.784 0.2 1 811 113 113 LYS N N 120.624 0.2 1 812 114 114 LYS H H 8.041 0.02 1 813 114 114 LYS HA H 5.569 0.02 1 814 114 114 LYS HB3 H 1.61 0.02 1 815 114 114 LYS HD3 H 1.43 0.02 1 816 114 114 LYS HE2 H 2.749 0.02 1 817 114 114 LYS HG3 H 1.154 0.02 1 818 114 114 LYS CA C 54.566 0.2 1 819 114 114 LYS CB C 37 0.2 1 820 114 114 LYS CD C 28.972 0.2 1 821 114 114 LYS CE C 41.9 0.2 1 822 114 114 LYS CG C 23.714 0.2 1 823 114 114 LYS N N 120.2 0.02 1 824 115 115 PHE H H 9.122 0.02 1 825 115 115 PHE HA H 4.999 0.02 1 826 115 115 PHE HB3 H 3.188 0.02 1 827 115 115 PHE HE1 H 6.944 0.02 3 828 115 115 PHE HE2 H 6.944 0.02 3 829 115 115 PHE CA C 56.807 0.2 1 830 115 115 PHE CB C 41.398 0.2 1 831 115 115 PHE CE1 C 130.364 0.2 3 832 115 115 PHE N N 119.62 0.2 1 833 116 116 VAL H H 8.614 0.02 1 834 116 116 VAL HA H 4.962 0.02 1 835 116 116 VAL HB H 1.886 0.02 1 836 116 116 VAL HG2 H 0.81 0.02 1 837 116 116 VAL CA C 60.356 0.2 1 838 116 116 VAL CB C 34.608 0.2 1 839 116 116 VAL CG2 C 21.044 0.2 1 840 116 116 VAL N N 119.531 0.2 1 841 117 117 LEU H H 9.284 0.02 1 842 117 117 LEU HA H 4.869 0.02 1 843 117 117 LEU HB3 H 1.296 0.02 1 844 117 117 LEU HD1 H 0.845 0.02 1 845 117 117 LEU HG H 1.883 0.02 1 846 117 117 LEU CA C 53.198 0.2 1 847 117 117 LEU CB C 42.76 0.2 1 848 117 117 LEU CD1 C 23.994 0.2 1 849 117 117 LEU CG C 26.316 0.2 1 850 117 117 LEU N N 127.917 0.2 1 851 118 118 LYS H H 8.116 0.02 1 852 118 118 LYS HA H 4.175 0.02 1 853 118 118 LYS HB3 H 1.782 0.02 1 854 118 118 LYS HD3 H 1.468 0.02 1 855 118 118 LYS HE2 H 2.822 0.02 1 856 118 118 LYS HG3 H 1.045 0.02 1 857 118 118 LYS CA C 56.258 0.2 1 858 118 118 LYS CB C 34.25 0.2 1 859 118 118 LYS CD C 29.154 0.2 1 860 118 118 LYS CE C 41.924 0.2 1 861 118 118 LYS CG C 22.494 0.2 1 862 118 118 LYS N N 121.126 0.2 1 863 119 119 ASP H H 7.912 0.02 1 864 119 119 ASP HA H 4.348 0.02 1 865 119 119 ASP HB2 H 1.886 0.02 1 866 119 119 ASP CA C 52.755 0.2 1 867 119 119 ASP CB C 43.64 0.2 1 868 119 119 ASP N N 121.412 0.2 1 869 120 120 LYS H H 8.41 0.02 1 870 120 120 LYS HA H 3.988 0.02 1 871 120 120 LYS HB3 H 1.714 0.02 1 872 120 120 LYS HD3 H 1.613 0.02 1 873 120 120 LYS HE2 H 2.949 0.02 1 874 120 120 LYS HG3 H 1.317 0.02 1 875 120 120 LYS CA C 58.959 0.2 1 876 120 120 LYS CB C 32 0.2 1 877 120 120 LYS CE C 41.834 0.2 1 878 120 120 LYS CG C 24.204 0.2 1 879 120 120 LYS N N 125.062 0.2 1 880 121 121 ASN H H 7.822 0.02 1 881 121 121 ASN HA H 4.951 0.02 1 882 121 121 ASN HB2 H 2.576 0.02 1 883 121 121 ASN HD21 H 7.797 0.02 2 884 121 121 ASN HD22 H 6.882 0.02 2 885 121 121 ASN CA C 52.798 0.2 1 886 121 121 ASN CB C 39.605 0.2 1 887 121 121 ASN N N 115.489 0.2 1 888 121 121 ASN ND2 N 114.244 0.2 1 889 122 122 GLY H H 7.823 0.02 1 890 122 122 GLY HA3 H 3.994 0.02 2 891 122 122 GLY CA C 46.38 0.2 1 892 122 122 GLY N N 107.95 0.2 1 893 123 123 GLY H H 9.201 0.02 1 894 123 123 GLY HA3 H 3.632 0.02 2 895 123 123 GLY CA C 45.573 0.2 1 896 123 123 GLY N N 108.554 0.2 1 897 124 124 LYS H H 8.078 0.02 1 898 124 124 LYS HA H 4.519 0.02 1 899 124 124 LYS HB3 H 1.108 0.02 1 900 124 124 LYS HD3 H 1.065 0.02 1 901 124 124 LYS HE2 H 2.443 0.02 1 902 124 124 LYS HG3 H 1.108 0.02 1 903 124 124 LYS CA C 54.963 0.2 1 904 124 124 LYS CB C 34.532 0.2 1 905 124 124 LYS CD C 28.989 0.2 1 906 124 124 LYS CE C 41.222 0.2 1 907 124 124 LYS CG C 22.944 0.2 1 908 124 124 LYS N N 118.143 0.2 1 909 125 125 LEU H H 8.42 0.02 1 910 125 125 LEU HA H 4.084 0.02 1 911 125 125 LEU HB3 H 1.504 0.02 1 912 125 125 LEU HD1 H 0.328 0.02 1 913 125 125 LEU HG H 0.865 0.02 1 914 125 125 LEU CA C 57.95 0.2 1 915 125 125 LEU CB C 41.98 0.2 1 916 125 125 LEU CD1 C 27.405 0.2 1 917 125 125 LEU CG C 27.627 0.2 1 918 125 125 LEU N N 126.758 0.2 1 919 126 126 VAL H H 8.31 0.02 1 920 126 126 VAL HA H 4.38 0.02 1 921 126 126 VAL HB H 2.884 0.02 1 922 126 126 VAL HG2 H 0.46 0.02 1 923 126 126 VAL CA C 60.766 0.2 1 924 126 126 VAL CB C 32.29 0.2 1 925 126 126 VAL CG2 C 18.326 0.2 1 926 126 126 VAL N N 115.615 0.2 1 927 127 127 GLY H H 6.973 0.02 1 928 127 127 GLY HA3 H 4.673 0.02 2 929 127 127 GLY N N 105.938 0.2 1 930 128 128 PHE H H 7.647 0.02 1 931 128 128 PHE HA H 5.536 0.02 1 932 128 128 PHE HB3 H 3.482 0.02 1 933 128 128 PHE HE1 H 7.095 0.02 3 934 128 128 PHE HE2 H 7.095 0.02 3 935 128 128 PHE CA C 57.83 0.2 1 936 128 128 PHE CB C 42.94 0.2 1 937 128 128 PHE CE1 C 130.156 0.2 3 938 128 128 PHE N N 117.362 0.2 1 939 129 129 HIS H H 7.395 0.02 1 940 129 129 HIS HA H 4.008 0.02 1 941 129 129 HIS HB3 H 3.033 0.02 1 942 129 129 HIS HD2 H 5.582 0.02 1 943 129 129 HIS HE1 H 7.526 0.02 1 944 129 129 HIS CA C 54.32 0.2 1 945 129 129 HIS CB C 33.03 0.2 1 946 129 129 HIS CD2 C 116.193 0.2 1 947 129 129 HIS CE1 C 138.447 0.2 1 948 129 129 HIS N N 115.595 0.2 1 949 130 130 GLY H H 7.144 0.02 1 950 130 130 GLY HA3 H 3.751 0.02 2 951 130 130 GLY CA C 46.077 0.2 1 952 130 130 GLY N N 104.481 0.2 1 953 131 131 ARG H H 8.104 0.02 1 954 131 131 ARG HA H 5.404 0.02 1 955 131 131 ARG HB3 H 2.107 0.02 1 956 131 131 ARG HD2 H 3 0.02 1 957 131 131 ARG HG3 H 1.248 0.02 1 958 131 131 ARG CA C 55.66 0.2 1 959 131 131 ARG CB C 35.6 0.2 1 960 131 131 ARG CD C 42.48 0.2 1 961 131 131 ARG CG C 28.95 0.2 1 962 131 131 ARG N N 118.122 0.2 1 963 132 132 ALA H H 9.729 0.02 1 964 132 132 ALA HA H 5.359 0.02 1 965 132 132 ALA HB H 1.55 0.02 1 966 132 132 ALA CA C 52.49 0.2 1 967 132 132 ALA CB C 23.304 0.2 1 968 132 132 ALA N N 123.64 0.2 1 969 133 133 GLY H H 8.2 0.02 1 970 133 133 GLY HA3 H 4.247 0.02 2 971 133 133 GLY CA C 47.742 0.2 1 972 133 133 GLY N N 111.043 0.2 1 973 134 134 GLU HA H 4.129 0.02 1 974 134 134 GLU HB2 H 1.988 0.02 1 975 134 134 GLU HG2 H 2.311 0.02 1 976 134 134 GLU CA C 57.999 0.2 1 977 134 134 GLU CB C 29 0.2 1 978 134 134 GLU CG C 36.34 0.2 1 979 135 135 ALA H H 6.965 0.02 1 980 135 135 ALA HA H 4.701 0.02 1 981 135 135 ALA HB H 1.035 0.02 1 982 135 135 ALA CA C 49.78 0.2 1 983 135 135 ALA CB C 21.234 0.2 1 984 135 135 ALA N N 115.88 0.2 1 985 136 136 LEU H H 8.023 0.02 1 986 136 136 LEU HA H 4.438 0.02 1 987 136 136 LEU HB3 H 1.914 0.02 1 988 136 136 LEU HD1 H 1.24 0.02 1 989 136 136 LEU HG H 1.488 0.02 1 990 136 136 LEU CA C 54.96 0.2 1 991 136 136 LEU CB C 42.15 0.2 1 992 136 136 LEU CD1 C 23.064 0.2 1 993 136 136 LEU CG C 27.11 0.2 1 994 136 136 LEU N N 120.778 0.2 1 995 137 137 TYR H H 7.741 0.02 1 996 137 137 TYR HA H 4.78 0.02 1 997 137 137 TYR HB3 H 2.887 0.02 1 998 137 137 TYR HE1 H 6.669 0.02 3 999 137 137 TYR HE2 H 6.669 0.02 3 1000 137 137 TYR CA C 59.966 0.2 1 1001 137 137 TYR CB C 40.5 0.2 1 1002 137 137 TYR CE1 C 117.663 0.2 3 1003 137 137 TYR N N 124.567 0.2 1 1004 138 138 ALA H H 7.932 0.02 1 1005 138 138 ALA HA H 5.296 0.02 1 1006 138 138 ALA HB H 1.052 0.02 1 1007 138 138 ALA CA C 51.308 0.2 1 1008 138 138 ALA CB C 22.504 0.2 1 1009 138 138 ALA N N 117.138 0.2 1 1010 139 139 LEU H H 8.524 0.02 1 1011 139 139 LEU HA H 4.993 0.02 1 1012 139 139 LEU HB3 H 1.927 0.02 1 1013 139 139 LEU HD1 H 1.227 0.02 1 1014 139 139 LEU HG H 1.874 0.02 1 1015 139 139 LEU CA C 54.67 0.2 1 1016 139 139 LEU CB C 48.21 0.2 1 1017 139 139 LEU CD1 C 23.774 0.2 1 1018 139 139 LEU CG C 26.67 0.2 1 1019 139 139 LEU N N 121.036 0.2 1 1020 140 140 GLY H H 9.021 0.02 1 1021 140 140 GLY HA3 H 2.546 0.02 2 1022 140 140 GLY CA C 42.93 0.2 1 1023 140 140 GLY N N 115.476 0.2 1 1024 141 141 ALA H H 6.774 0.02 1 1025 141 141 ALA HA H 5.001 0.02 1 1026 141 141 ALA HB H 0.978 0.02 1 1027 141 141 ALA CA C 51.256 0.2 1 1028 141 141 ALA CB C 24.364 0.2 1 1029 141 141 ALA N N 115.675 0.2 1 1030 142 142 TYR H H 7.947 0.02 1 1031 142 142 TYR HA H 5.404 0.02 1 1032 142 142 TYR HB3 H 2.293 0.02 1 1033 142 142 TYR HE1 H 6.718 0.02 3 1034 142 142 TYR HE2 H 6.718 0.02 3 1035 142 142 TYR CA C 56.391 0.2 1 1036 142 142 TYR CB C 42.59 0.2 1 1037 142 142 TYR CE1 C 117.865 0.2 3 1038 142 142 TYR N N 116.651 0.2 1 1039 143 143 PHE H H 8.984 0.02 1 1040 143 143 PHE HA H 5.498 0.02 1 1041 143 143 PHE HB3 H 2.644 0.02 1 1042 143 143 PHE HE1 H 6.943 0.02 3 1043 143 143 PHE HE2 H 6.943 0.02 3 1044 143 143 PHE CA C 56.453 0.2 1 1045 143 143 PHE CB C 43.59 0.2 1 1046 143 143 PHE CE1 C 130.716 0.2 3 1047 143 143 PHE N N 118.577 0.2 1 1048 144 144 ALA H H 9.352 0.02 1 1049 144 144 ALA HA H 4.739 0.02 1 1050 144 144 ALA HB H 1.33 0.02 1 1051 144 144 ALA CA C 51.327 0.2 1 1052 144 144 ALA CB C 21.114 0.2 1 1053 144 144 ALA N N 125.688 0.2 1 1054 145 145 THR H H 8.239 0.02 1 1055 145 145 THR HA H 4.362 0.02 1 1056 145 145 THR HB H 4.113 0.02 1 1057 145 145 THR HG2 H 1.14 0.02 1 1058 145 145 THR CA C 62.086 0.2 1 1059 145 145 THR CB C 69.752 0.2 1 1060 145 145 THR CG2 C 21.348 0.2 1 1061 145 145 THR N N 114.846 0.2 1 1062 146 146 THR H H 8.322 0.02 1 1063 146 146 THR HA H 4.387 0.02 1 1064 146 146 THR HB H 4.144 0.02 1 1065 146 146 THR HG2 H 1.02 0.02 1 1066 146 146 THR CA C 61.416 0.2 1 1067 146 146 THR CB C 70.016 0.2 1 1068 146 146 THR CG2 C 21.174 0.2 1 1069 146 146 THR N N 116.096 0.2 1 1070 147 147 THR H H 8.085 0.02 1 1071 147 147 THR HA H 4.355 0.02 1 1072 147 147 THR HB H 4.129 0.02 1 1073 147 147 THR HG2 H 1.078 0.02 1 1074 147 147 THR CB C 70.016 0.2 1 1075 147 147 THR CG2 C 21.214 0.2 1 1076 147 147 THR N N 116.478 0.2 1 1077 148 148 THR H H 8.217 0.02 1 1078 148 148 THR HA H 4.526 0.02 1 1079 148 148 THR HB H 4.052 0.02 1 1080 148 148 THR HG2 H 1.162 0.02 1 1081 148 148 THR CA C 60.016 0.2 1 1082 148 148 THR CG2 C 21.084 0.2 1 1083 148 148 THR N N 119.757 0.2 1 1084 149 149 PRO HA H 4.388 0.02 1 1085 149 149 PRO HB2 H 1.796 0.02 1 1086 149 149 PRO HD3 H 3.778 0.02 1 1087 149 149 PRO HG2 H 1.943 0.02 1 1088 149 149 PRO CA C 63.136 0.2 1 1089 149 149 PRO CB C 31.93 0.2 1 1090 149 149 PRO CD C 50.92 0.2 1 1091 149 149 PRO CG C 26.982 0.2 1 1092 150 150 VAL H H 8.191 0.02 1 1093 150 150 VAL HA H 4.059 0.02 1 1094 150 150 VAL HB H 1.939 0.02 1 1095 150 150 VAL HG2 H 0.847 0.02 1 1096 150 150 VAL CA C 62.244 0.2 1 1097 150 150 VAL CB C 32.563 0.2 1 1098 150 150 VAL CG2 C 20.074 0.2 1 1099 150 150 VAL N N 121.032 0.2 1 1100 151 151 THR H H 8.238 0.02 1 1101 151 151 THR HA H 4.546 0.02 1 1102 151 151 THR HB H 4.042 0.02 1 1103 151 151 THR HG2 H 1.146 0.02 1 1104 151 151 THR CB C 69.876 0.2 1 1105 151 151 THR N N 121.137 0.2 1 1106 152 152 PRO HA H 4.394 0.02 1 1107 152 152 PRO HB2 H 1.884 0.02 1 1108 152 152 PRO HD3 H 3.744 0.02 1 1109 152 152 PRO HG2 H 1.9 0.02 1 1110 152 152 PRO CA C 63 0.2 1 1111 152 152 PRO CB C 31.893 0.2 1 1112 152 152 PRO CD C 50.78 0.2 1 1113 152 152 PRO CG C 26.71 0.2 1 1114 153 153 ALA H H 7.931 0.02 1 1115 153 153 ALA HA H 4.706 0.02 1 1116 153 153 ALA HB H 1.024 0.02 1 1117 153 153 ALA CA C 51.446 0.2 1 1118 153 153 ALA CB C 19.924 0.2 1 1119 153 153 ALA N N 121.829 0.2 1 1120 154 154 LYS H H 8.911 0.02 1 1121 154 154 LYS HA H 4.5 0.02 1 1122 154 154 LYS HB3 H 1.564 0.02 1 1123 154 154 LYS HD3 H 1.438 0.02 1 1124 154 154 LYS HE2 H 2.596 0.02 1 1125 154 154 LYS HG3 H 1.194 0.02 1 1126 154 154 LYS CA C 55.199 0.2 1 1127 154 154 LYS CB C 34.59 0.2 1 1128 154 154 LYS CD C 29.134 0.2 1 1129 154 154 LYS CE C 41.508 0.2 1 1130 154 154 LYS CG C 24.254 0.2 1 1131 154 154 LYS N N 121.045 0.2 1 1132 155 155 LYS H H 8.471 0.02 1 1133 155 155 LYS HA H 4.167 0.02 1 1134 155 155 LYS HB3 H 1.51 0.02 1 1135 155 155 LYS HD3 H 1.046 0.02 1 1136 155 155 LYS HE2 H 1.87 0.02 1 1137 155 155 LYS HG3 H -0.154 0.02 1 1138 155 155 LYS CA C 56.263 0.2 1 1139 155 155 LYS CB C 33.622 0.2 1 1140 155 155 LYS CD C 29.091 0.2 1 1141 155 155 LYS CE C 39.97 0.2 1 1142 155 155 LYS CG C 24.484 0.2 1 1143 155 155 LYS N N 126.42 0.2 1 1144 156 156 LEU H H 8.412 0.02 1 1145 156 156 LEU HA H 4.529 0.02 1 1146 156 156 LEU HB3 H 1.444 0.02 1 1147 156 156 LEU HD1 H 0.588 0.02 1 1148 156 156 LEU HG H 1.401 0.02 1 1149 156 156 LEU CA C 53.762 0.2 1 1150 156 156 LEU CB C 41.08 0.2 1 1151 156 156 LEU CD1 C 24.709 0.2 1 1152 156 156 LEU CG C 26.747 0.2 1 1153 156 156 LEU N N 128.012 0.2 1 1154 157 157 SER H H 8.383 0.02 1 1155 157 157 SER HA H 4.01 0.02 1 1156 157 157 SER HB2 H 3.645 0.02 1 1157 157 157 SER CA C 59.836 0.2 1 1158 157 157 SER CB C 62.966 0.2 1 1159 157 157 SER N N 117.09 0.2 1 1160 158 158 ALA H H 8.559 0.02 1 1161 158 158 ALA HA H 4.129 0.02 1 1162 158 158 ALA HB H 0.813 0.02 1 1163 158 158 ALA CA C 51.032 0.2 1 1164 158 158 ALA CB C 19.167 0.2 1 1165 158 158 ALA N N 125.132 0.2 1 1166 159 159 ILE H H 8.104 0.02 1 1167 159 159 ILE HA H 4.085 0.02 1 1168 159 159 ILE HB H 1.062 0.02 1 1169 159 159 ILE HD1 H 0.568 0.02 1 1170 159 159 ILE HG12 H 0.867 0.02 1 1171 159 159 ILE HG2 H 0.21 0.02 1 1172 159 159 ILE CA C 58.69 0.2 1 1173 159 159 ILE CB C 40.67 0.2 1 1174 159 159 ILE CD1 C 12.057 0.2 1 1175 159 159 ILE CG1 C 27.625 0.2 1 1176 159 159 ILE CG2 C 17.434 0.2 1 1177 159 159 ILE N N 119.951 0.2 1 1178 160 160 GLY H H 7.723 0.02 1 1179 160 160 GLY HA3 H 4.687 0.02 2 1180 160 160 GLY CA C 42.39 0.2 1 1181 160 160 GLY N N 109.85 0.2 1 1182 161 161 GLY H H 8.492 0.02 1 1183 161 161 GLY HA3 H 3.779 0.02 2 1184 161 161 GLY CA C 45.4 0.2 1 1185 161 161 GLY N N 110.285 0.2 1 1186 162 162 ASP H H 8.052 0.02 1 1187 162 162 ASP HA H 4.524 0.02 1 1188 162 162 ASP HB2 H 2.281 0.02 1 1189 162 162 ASP CA C 53.366 0.2 1 1190 162 162 ASP CB C 40.8 0.2 1 1191 162 162 ASP N N 118.535 0.2 1 1192 163 163 GLU H H 7.401 0.02 1 1193 163 163 GLU HA H 4.101 0.02 1 1194 163 163 GLU HB2 H 0.927 0.02 1 1195 163 163 GLU HG2 H 1.765 0.02 1 1196 163 163 GLU CA C 56.236 0.2 1 1197 163 163 GLU CB C 30.683 0.2 1 1198 163 163 GLU CG C 36.436 0.2 1 1199 163 163 GLU N N 121.34 0.2 1 1200 164 164 GLY H H 7.863 0.02 1 1201 164 164 GLY HA3 H 3.904 0.02 2 1202 164 164 GLY CA C 44.048 0.2 1 1203 164 164 GLY N N 101.252 0.2 1 1204 165 165 THR H H 8.261 0.02 1 1205 165 165 THR HA H 4.538 0.02 1 1206 165 165 THR HB H 4.279 0.02 1 1207 165 165 THR HG2 H 1.428 0.02 1 1208 165 165 THR CA C 62.256 0.2 1 1209 165 165 THR CB C 70.516 0.2 1 1210 165 165 THR CG2 C 21.554 0.2 1 1211 165 165 THR N N 115.081 0.2 1 1212 166 166 ALA H H 9.199 0.02 1 1213 166 166 ALA HA H 4.848 0.02 1 1214 166 166 ALA HB H 1.344 0.02 1 1215 166 166 ALA CA C 53 0.2 1 1216 166 166 ALA CB C 18.775 0.2 1 1217 166 166 ALA N N 131.373 0.2 1 1218 167 167 TRP H H 8.505 0.02 1 1219 167 167 TRP HA H 4.922 0.02 1 1220 167 167 TRP HD1 H 7.205 0.02 1 1221 167 167 TRP HE1 H 10.02 0.02 1 1222 167 167 TRP HE3 H 7.575 0.02 1 1223 167 167 TRP HH2 H 7.183 0.02 1 1224 167 167 TRP CA C 54.69 0.2 1 1225 167 167 TRP CD1 C 127.394 0.2 1 1226 167 167 TRP CE3 C 120.992 0.2 1 1227 167 167 TRP CH2 C 124.627 0.2 1 1228 167 167 TRP N N 118.813 0.2 1 1229 167 167 TRP NE1 N 129.37 0.2 1 1230 168 168 ASP H H 8.834 0.02 1 1231 168 168 ASP HA H 4.606 0.02 1 1232 168 168 ASP HB2 H 2.591 0.02 1 1233 168 168 ASP CB C 41.83 0.2 1 1234 168 168 ASP N N 119.072 0.2 1 1235 169 169 ASP H H 9.149 0.02 1 1236 169 169 ASP HA H 5.008 0.02 1 1237 169 169 ASP HB2 H 3.598 0.02 1 1238 169 169 ASP CA C 56.51 0.2 1 1239 169 169 ASP CB C 40.275 0.2 1 1240 169 169 ASP N N 126.656 0.2 1 1241 170 170 GLY H H 8.7 0.02 1 1242 170 170 GLY HA3 H 3.761 0.02 2 1243 170 170 GLY CA C 43.13 0.2 1 1244 170 170 GLY N N 110.483 0.2 1 1245 171 171 ALA H H 6.697 0.02 1 1246 171 171 ALA HA H 4 0.02 1 1247 171 171 ALA HB H 0.537 0.02 1 1248 171 171 ALA CA C 50 0.2 1 1249 171 171 ALA CB C 21.044 0.2 1 1250 171 171 ALA N N 114.78 0.2 1 1251 172 172 TYR H H 7.684 0.02 1 1252 172 172 TYR HA H 4.438 0.02 1 1253 172 172 TYR HB3 H 3.367 0.02 1 1254 172 172 TYR HE1 H 6.168 0.02 3 1255 172 172 TYR HE2 H 6.168 0.02 3 1256 172 172 TYR CA C 57.6 0.2 1 1257 172 172 TYR CB C 39.81 0.2 1 1258 172 172 TYR CE1 C 117.732 0.2 3 1259 172 172 TYR N N 121.447 0.2 1 1260 173 173 ASP H H 8.333 0.02 1 1261 173 173 ASP HA H 4.933 0.02 1 1262 173 173 ASP HB2 H 2.676 0.02 1 1263 173 173 ASP CA C 56.424 0.2 1 1264 173 173 ASP CB C 41.95 0.2 1 1265 173 173 ASP N N 117.083 0.2 1 1266 174 174 GLY H H 7.67 0.02 1 1267 174 174 GLY HA3 H 4.335 0.02 2 1268 174 174 GLY CA C 45.543 0.2 1 1269 174 174 GLY N N 101.339 0.2 1 1270 175 175 VAL H H 7.925 0.02 1 1271 175 175 VAL HA H 4.373 0.02 1 1272 175 175 VAL HB H 2.156 0.02 1 1273 175 175 VAL HG2 H 1.062 0.02 1 1274 175 175 VAL CA C 62.536 0.2 1 1275 175 175 VAL CB C 33.54 0.2 1 1276 175 175 VAL CG2 C 20.784 0.2 1 1277 175 175 VAL N N 120.73 0.2 1 1278 176 176 LYS H H 8.965 0.02 1 1279 176 176 LYS HA H 4.694 0.02 1 1280 176 176 LYS HB3 H 1.445 0.02 1 1281 176 176 LYS HD3 H 1.558 0.02 1 1282 176 176 LYS HE2 H 2.996 0.02 1 1283 176 176 LYS HG3 H 1.207 0.02 1 1284 176 176 LYS CB C 34.063 0.2 1 1285 176 176 LYS CD C 27.97 0.2 1 1286 176 176 LYS CE C 41.866 0.2 1 1287 176 176 LYS CG C 24.254 0.2 1 1288 176 176 LYS N N 125.818 0.2 1 1289 177 177 LYS H H 7.795 0.02 1 1290 177 177 LYS HA H 4.67 0.02 1 1291 177 177 LYS HB3 H 1.197 0.02 1 1292 177 177 LYS HD3 H 1.195 0.02 1 1293 177 177 LYS HE2 H 2.121 0.02 1 1294 177 177 LYS HG3 H 0.746 0.02 1 1295 177 177 LYS CB C 36.739 0.2 1 1296 177 177 LYS CD C 28.989 0.2 1 1297 177 177 LYS CE C 42.211 0.2 1 1298 177 177 LYS CG C 25.544 0.2 1 1299 177 177 LYS N N 118.45 0.2 1 1300 178 178 VAL H H 8.439 0.02 1 1301 178 178 VAL HA H 4.143 0.02 1 1302 178 178 VAL HB H 1.737 0.02 1 1303 178 178 VAL HG2 H 0.504 0.02 1 1304 178 178 VAL CB C 34.428 0.2 1 1305 178 178 VAL CG2 C 19.574 0.2 1 1306 178 178 VAL N N 124.132 0.2 1 1307 179 179 TYR H H 7.862 0.02 1 1308 179 179 TYR HA H 5.158 0.02 1 1309 179 179 TYR HB3 H 1.723 0.02 1 1310 179 179 TYR HE1 H 6.395 0.02 3 1311 179 179 TYR HE2 H 6.395 0.02 3 1312 179 179 TYR CA C 55.44 0.2 1 1313 179 179 TYR CB C 38.665 0.2 1 1314 179 179 TYR CE1 C 117.242 0.2 3 1315 179 179 TYR N N 122.653 0.2 1 1316 180 180 VAL H H 8.419 0.02 1 1317 180 180 VAL HA H 4.56 0.02 1 1318 180 180 VAL HB H 1.311 0.02 1 1319 180 180 VAL HG2 H 0.385 0.02 1 1320 180 180 VAL CB C 34.58 0.2 1 1321 180 180 VAL CG2 C 20.264 0.2 1 1322 180 180 VAL N N 118.817 0.2 1 1323 181 181 GLY H H 9.878 0.02 1 1324 181 181 GLY HA3 H 2.836 0.02 2 1325 181 181 GLY CA C 45.14 0.2 1 1326 181 181 GLY N N 120.2 0.02 1 1327 182 182 GLN H H 9.05 0.02 1 1328 182 182 GLN HA H 4.504 0.02 1 1329 182 182 GLN HB2 H 1.972 0.02 1 1330 182 182 GLN HE21 H 6.716 0.02 2 1331 182 182 GLN HE22 H 7.431 0.02 2 1332 182 182 GLN HG2 H 2.276 0.02 1 1333 182 182 GLN CA C 56.205 0.2 1 1334 182 182 GLN CB C 31.18 0.2 1 1335 182 182 GLN CG C 33.941 0.2 1 1336 182 182 GLN N N 124.784 0.2 1 1337 182 182 GLN NE2 N 112.452 0.2 1 1338 183 183 GLY H H 8.494 0.02 1 1339 183 183 GLY HA3 H 3.82 0.02 2 1340 183 183 GLY CA C 44.71 0.2 1 1341 183 183 GLY N N 111.254 0.2 1 1342 184 184 GLN H H 8.573 0.02 1 1343 184 184 GLN HA H 3.996 0.02 1 1344 184 184 GLN HB2 H 1.985 0.02 1 1345 184 184 GLN HG2 H 2.302 0.02 1 1346 184 184 GLN CA C 58.6 0.2 1 1347 184 184 GLN CB C 28.68 0.2 1 1348 184 184 GLN CG C 33.61 0.2 1 1349 184 184 GLN N N 120.194 0.2 1 1350 185 185 ASP H H 8.269 0.02 1 1351 185 185 ASP HA H 4.692 0.02 1 1352 185 185 ASP HB2 H 2.38 0.02 1 1353 185 185 ASP CB C 42.55 0.2 1 1354 185 185 ASP N N 114.798 0.2 1 1355 186 186 GLY H H 7.136 0.02 1 1356 186 186 GLY HA3 H 4.001 0.02 2 1357 186 186 GLY CA C 45.87 0.2 1 1358 186 186 GLY N N 104.304 0.2 1 1359 187 187 ILE H H 8.759 0.02 1 1360 187 187 ILE HA H 3.987 0.02 1 1361 187 187 ILE HB H 1.913 0.02 1 1362 187 187 ILE HD1 H 0.521 0.02 1 1363 187 187 ILE HG12 H 1.064 0.02 1 1364 187 187 ILE HG2 H 0.725 0.02 1 1365 187 187 ILE CA C 61.016 0.2 1 1366 187 187 ILE CB C 36.33 0.2 1 1367 187 187 ILE CD1 C 10.231 0.2 1 1368 187 187 ILE CG1 C 27.55 0.2 1 1369 187 187 ILE CG2 C 18.584 0.2 1 1370 187 187 ILE N N 123.275 0.2 1 1371 188 188 SER H H 8.537 0.02 1 1372 188 188 SER HA H 4.482 0.02 1 1373 188 188 SER HB2 H 3.809 0.02 1 1374 188 188 SER CA C 60.116 0.2 1 1375 188 188 SER CB C 65.206 0.2 1 1376 188 188 SER N N 123.802 0.2 1 1377 189 189 ALA H H 7.603 0.02 1 1378 189 189 ALA HA H 5.427 0.02 1 1379 189 189 ALA HB H 0.674 0.02 1 1380 189 189 ALA CA C 50.72 0.2 1 1381 189 189 ALA CB C 23.235 0.2 1 1382 189 189 ALA N N 118.955 0.2 1 1383 190 190 VAL H H 8.428 0.02 1 1384 190 190 VAL HA H 5.074 0.02 1 1385 190 190 VAL HB H 1.989 0.02 1 1386 190 190 VAL HG2 H 0.901 0.02 1 1387 190 190 VAL CA C 58.816 0.2 1 1388 190 190 VAL CB C 36.29 0.2 1 1389 190 190 VAL CG2 C 19.694 0.2 1 1390 190 190 VAL N N 110.849 0.2 1 1391 191 191 LYS H H 7.691 0.02 1 1392 191 191 LYS HA H 4.258 0.02 1 1393 191 191 LYS HB3 H 0.94 0.02 1 1394 191 191 LYS HD3 H 0.434 0.02 1 1395 191 191 LYS HE2 H 0.89 0.02 1 1396 191 191 LYS HG3 H 0.278 0.02 1 1397 191 191 LYS CA C 55.83 0.2 1 1398 191 191 LYS CB C 34.92 0.2 1 1399 191 191 LYS CD C 28.89 0.2 1 1400 191 191 LYS CE C 40.39 0.2 1 1401 191 191 LYS CG C 23 0.2 1 1402 191 191 LYS N N 117.62 0.2 1 1403 192 192 PHE H H 8.696 0.02 1 1404 192 192 PHE HA H 5.168 0.02 1 1405 192 192 PHE HB3 H 2.502 0.02 1 1406 192 192 PHE CA C 56.828 0.2 1 1407 192 192 PHE CB C 44.114 0.2 1 1408 192 192 PHE N N 117.68 0.2 1 1409 193 193 GLU H H 8.637 0.02 1 1410 193 193 GLU HA H 5.026 0.02 1 1411 193 193 GLU HB2 H 1.67 0.02 1 1412 193 193 GLU HG2 H 2.208 0.02 1 1413 193 193 GLU CA C 54.72 0.2 1 1414 193 193 GLU CB C 32.352 0.2 1 1415 193 193 GLU CG C 37.277 0.2 1 1416 193 193 GLU N N 117.837 0.2 1 1417 194 194 TYR H H 9.297 0.02 1 1418 194 194 TYR HA H 4.953 0.02 1 1419 194 194 TYR HB3 H 2.688 0.02 1 1420 194 194 TYR CA C 56.893 0.2 1 1421 194 194 TYR CB C 43.184 0.2 1 1422 194 194 TYR N N 122.249 0.2 1 1423 195 195 ASN H H 7.89 0.02 1 1424 195 195 ASN HA H 5.325 0.02 1 1425 195 195 ASN HB2 H 1.063 0.02 1 1426 195 195 ASN HD21 H 6.193 0.02 2 1427 195 195 ASN HD22 H 6.725 0.02 2 1428 195 195 ASN CA C 52.92 0.2 1 1429 195 195 ASN CB C 42.39 0.2 1 1430 195 195 ASN N N 117.289 0.2 1 1431 195 195 ASN ND2 N 108.402 0.2 1 1432 196 196 LYS H H 8.512 0.02 1 1433 196 196 LYS HA H 4.573 0.02 1 1434 196 196 LYS HB3 H 1.971 0.02 1 1435 196 196 LYS HD3 H 1.623 0.02 1 1436 196 196 LYS HE2 H 2.914 0.02 1 1437 196 196 LYS HG3 H 1.407 0.02 1 1438 196 196 LYS CA C 55.78 0.2 1 1439 196 196 LYS CB C 34.663 0.2 1 1440 196 196 LYS CE C 41.936 0.2 1 1441 196 196 LYS CG C 24.649 0.2 1 1442 196 196 LYS N N 125.601 0.2 1 1443 197 197 GLY H H 9.625 0.02 1 1444 197 197 GLY HA3 H 3.992 0.02 2 1445 197 197 GLY CA C 47.385 0.2 1 1446 197 197 GLY N N 119.684 0.2 1 1447 198 198 ALA H H 9.037 0.02 1 1448 198 198 ALA HA H 4.455 0.02 1 1449 198 198 ALA HB H 1.405 0.02 1 1450 198 198 ALA CA C 52.293 0.2 1 1451 198 198 ALA CB C 18.674 0.2 1 1452 198 198 ALA N N 129.818 0.2 1 1453 199 199 GLU H H 8.163 0.02 1 1454 199 199 GLU HA H 4.378 0.02 1 1455 199 199 GLU HB2 H 2.061 0.02 1 1456 199 199 GLU HG2 H 2.171 0.02 1 1457 199 199 GLU CA C 55.979 0.2 1 1458 199 199 GLU CB C 31.61 0.2 1 1459 199 199 GLU CG C 36.111 0.2 1 1460 199 199 GLU N N 119.447 0.2 1 1461 200 200 ASN H H 8.648 0.02 1 1462 200 200 ASN HA H 5.149 0.02 1 1463 200 200 ASN HB2 H 2.571 0.02 1 1464 200 200 ASN HD21 H 7.267 0.02 2 1465 200 200 ASN HD22 H 6.942 0.02 2 1466 200 200 ASN CA C 52.774 0.2 1 1467 200 200 ASN CB C 40.239 0.2 1 1468 200 200 ASN N N 122.667 0.2 1 1469 200 200 ASN ND2 N 112.06 0.2 1 1470 201 201 ILE H H 8.913 0.02 1 1471 201 201 ILE HA H 4.302 0.02 1 1472 201 201 ILE HB H 1.463 0.02 1 1473 201 201 ILE HD1 H 0.727 0.02 1 1474 201 201 ILE HG12 H 1.203 0.02 1 1475 201 201 ILE HG2 H 0.741 0.02 1 1476 201 201 ILE CA C 59.586 0.2 1 1477 201 201 ILE CB C 39.991 0.2 1 1478 201 201 ILE CD1 C 12.076 0.2 1 1479 201 201 ILE CG1 C 27.11 0.2 1 1480 201 201 ILE CG2 C 16.924 0.2 1 1481 201 201 ILE N N 126.037 0.2 1 1482 202 202 VAL H H 8.766 0.02 1 1483 202 202 VAL HA H 4.056 0.02 1 1484 202 202 VAL HB H 1.93 0.02 1 1485 202 202 VAL HG2 H 0.785 0.02 1 1486 202 202 VAL CA C 62.377 0.2 1 1487 202 202 VAL CB C 31.536 0.2 1 1488 202 202 VAL CG2 C 20.484 0.2 1 1489 202 202 VAL N N 128.837 0.2 1 1490 203 203 GLY H H 8.795 0.02 1 1491 203 203 GLY HA3 H 4.47 0.02 2 1492 203 203 GLY CA C 44.695 0.2 1 1493 203 203 GLY N N 117.249 0.2 1 1494 204 204 GLY H H 8.518 0.02 1 1495 204 204 GLY HA3 H 3.416 0.02 2 1496 204 204 GLY CA C 43.832 0.2 1 1497 204 204 GLY N N 105.9 0.2 1 1498 205 205 GLU H H 7.89 0.02 1 1499 205 205 GLU HA H 3.775 0.02 1 1500 205 205 GLU HB2 H 1.641 0.02 1 1501 205 205 GLU HG2 H 1.859 0.02 1 1502 205 205 GLU CA C 56.49 0.2 1 1503 205 205 GLU CB C 30.83 0.2 1 1504 205 205 GLU CG C 36.822 0.2 1 1505 205 205 GLU N N 117.491 0.2 1 1506 206 206 HIS H H 8.212 0.02 1 1507 206 206 HIS HA H 4.793 0.02 1 1508 206 206 HIS HB3 H 1.283 0.02 1 1509 206 206 HIS HD2 H 5.9 0.02 1 1510 206 206 HIS CA C 53.541 0.2 1 1511 206 206 HIS CB C 27.68 0.2 1 1512 206 206 HIS N N 122.452 0.2 1 1513 207 207 GLY H H 8.254 0.02 1 1514 207 207 GLY HA3 H 4.994 0.02 2 1515 207 207 GLY CA C 42.99 0.2 1 1516 207 207 GLY N N 111.779 0.2 1 1517 208 208 LYS H H 7.528 0.02 1 1518 208 208 LYS HA H 4.86 0.02 1 1519 208 208 LYS HB3 H 1.829 0.02 1 1520 208 208 LYS CA C 52.43 0.2 1 1521 208 208 LYS CB C 34.4 0.2 1 1522 208 208 LYS N N 119.782 0.2 1 1523 209 209 PRO HA H 3.924 0.02 1 1524 209 209 PRO HB2 H 1.457 0.02 1 1525 209 209 PRO HD3 H 3.135 0.02 1 1526 209 209 PRO HG2 H 1.714 0.02 1 1527 209 209 PRO CA C 62.236 0.2 1 1528 209 209 PRO CB C 31.31 0.2 1 1529 209 209 PRO CD C 50.649 0.2 1 1530 209 209 PRO CG C 26.715 0.2 1 1531 210 210 THR H H 8.982 0.02 1 1532 210 210 THR HA H 4.582 0.02 1 1533 210 210 THR CA C 60.256 0.2 1 1534 210 210 THR N N 112.376 0.2 1 1535 211 211 LEU H H 8.367 0.02 1 1536 211 211 LEU HA H 4.074 0.02 1 1537 211 211 LEU HB3 H 1.549 0.02 1 1538 211 211 LEU HD1 H 0.829 0.02 1 1539 211 211 LEU CA C 57.46 0.2 1 1540 211 211 LEU CB C 40.84 0.2 1 1541 211 211 LEU N N 121.106 0.2 1 1542 212 212 LEU H H 7.752 0.02 1 1543 212 212 LEU HA H 4.056 0.02 1 1544 212 212 LEU HB3 H 1.489 0.02 1 1545 212 212 LEU HD1 H 0.7 0.02 1 1546 212 212 LEU CA C 56.01 0.2 1 1547 212 212 LEU CB C 41.08 0.2 1 1548 212 212 LEU CD1 C 24.474 0.2 1 1549 212 212 LEU N N 117.858 0.2 1 1550 213 213 GLY H H 7.716 0.02 1 1551 213 213 GLY HA3 H 3.923 0.02 2 1552 213 213 GLY CA C 45.14 0.2 1 1553 213 213 GLY N N 106.249 0.2 1 1554 214 214 PHE H H 8.803 0.02 1 1555 214 214 PHE HA H 4.835 0.02 1 1556 214 214 PHE HB3 H 2.907 0.02 1 1557 214 214 PHE HE1 H 6.736 0.02 3 1558 214 214 PHE HE2 H 6.736 0.02 3 1559 214 214 PHE CA C 57.82 0.2 1 1560 214 214 PHE CB C 41.959 0.2 1 1561 214 214 PHE CE1 C 130.494 0.2 3 1562 214 214 PHE N N 119.064 0.2 1 1563 215 215 GLU H H 8.774 0.02 1 1564 215 215 GLU HA H 4.627 0.02 1 1565 215 215 GLU HB2 H 1.877 0.02 1 1566 215 215 GLU HG2 H 2.376 0.02 1 1567 215 215 GLU CA C 55.773 0.2 1 1568 215 215 GLU CB C 32.063 0.2 1 1569 215 215 GLU CG C 36.85 0.2 1 1570 215 215 GLU N N 122.124 0.2 1 1571 216 216 GLU H H 8.547 0.02 1 1572 216 216 GLU HA H 5.126 0.02 1 1573 216 216 GLU HB2 H 1.502 0.02 1 1574 216 216 GLU HG2 H 1.81 0.02 1 1575 216 216 GLU CA C 54.69 0.2 1 1576 216 216 GLU CB C 34.082 0.2 1 1577 216 216 GLU CG C 35.54 0.2 1 1578 216 216 GLU N N 118.145 0.2 1 1579 217 217 PHE H H 8.63 0.02 1 1580 217 217 PHE HA H 4.948 0.02 1 1581 217 217 PHE HB3 H 2.562 0.02 1 1582 217 217 PHE HE1 H 6.978 0.02 3 1583 217 217 PHE HE2 H 6.978 0.02 3 1584 217 217 PHE CA C 56.66 0.2 1 1585 217 217 PHE CB C 41.63 0.2 1 1586 217 217 PHE CE1 C 130.706 0.2 3 1587 217 217 PHE N N 122.421 0.2 1 1588 218 218 GLU H H 8.355 0.02 1 1589 218 218 GLU HA H 4.23 0.02 1 1590 218 218 GLU HB2 H 1.673 0.02 1 1591 218 218 GLU HG2 H 1.918 0.02 1 1592 218 218 GLU CA C 56.15 0.2 1 1593 218 218 GLU CB C 31.38 0.2 1 1594 218 218 GLU CG C 36.6 0.2 1 1595 218 218 GLU N N 128.265 0.2 1 1596 219 219 ILE H H 7.982 0.02 1 1597 219 219 ILE HA H 3.689 0.02 1 1598 219 219 ILE HB H 1.781 0.02 1 1599 219 219 ILE HD1 H 0.508 0.02 1 1600 219 219 ILE HG12 H 0.6 0.02 1 1601 219 219 ILE HG2 H 0.638 0.02 1 1602 219 219 ILE CA C 60.079 0.2 1 1603 219 219 ILE CB C 39.6 0.2 1 1604 219 219 ILE CD1 C 14.534 0.2 1 1605 219 219 ILE CG1 C 28.55 0.2 1 1606 219 219 ILE CG2 C 19.26 0.2 1 1607 219 219 ILE N N 122.752 0.2 1 1608 220 220 ASP H H 9.326 0.02 1 1609 220 220 ASP HA H 4.832 0.02 1 1610 220 220 ASP HB2 H 2.384 0.02 1 1611 220 220 ASP CA C 53 0.2 1 1612 220 220 ASP CB C 38.819 0.2 1 1613 220 220 ASP N N 128.62 0.2 1 1614 221 221 TYR H H 7.951 0.02 1 1615 221 221 TYR HA H 4.689 0.02 1 1616 221 221 TYR HB3 H 2.695 0.02 1 1617 221 221 TYR HE1 H 6.705 0.02 3 1618 221 221 TYR HE2 H 6.705 0.02 3 1619 221 221 TYR CE1 C 118.901 0.2 3 1620 221 221 TYR N N 127.513 0.2 1 1621 222 222 PRO HA H 3.74 0.02 1 1622 222 222 PRO HB2 H 1.666 0.02 1 1623 222 222 PRO HD3 H 3.124 0.02 1 1624 222 222 PRO HG2 H 1.49 0.02 1 1625 222 222 PRO CA C 63.626 0.2 1 1626 222 222 PRO CB C 33.99 0.2 1 1627 222 222 PRO CD C 49.72 0.2 1 1628 222 222 PRO CG C 23.018 0.2 1 1629 223 223 SER H H 8.463 0.02 1 1630 223 223 SER HA H 4.104 0.02 1 1631 223 223 SER HB2 H 3.879 0.02 1 1632 223 223 SER CB C 63 0.2 1 1633 223 223 SER N N 122.387 0.2 1 1634 224 224 GLU H H 8.249 0.02 1 1635 224 224 GLU HA H 5.243 0.02 1 1636 224 224 GLU HB2 H 1.45 0.02 1 1637 224 224 GLU HG2 H 2.107 0.02 1 1638 224 224 GLU CA C 52.949 0.2 1 1639 224 224 GLU CB C 32.453 0.2 1 1640 224 224 GLU CG C 36.765 0.2 1 1641 224 224 GLU N N 124.42 0.2 1 1642 225 225 TYR H H 7.796 0.02 1 1643 225 225 TYR HA H 5.064 0.02 1 1644 225 225 TYR HB3 H 3.191 0.02 1 1645 225 225 TYR CA C 54.05 0.2 1 1646 225 225 TYR CB C 39.93 0.2 1 1647 225 225 TYR N N 120.342 0.2 1 1648 226 226 ILE H H 9.5 0.02 1 1649 226 226 ILE HA H 4.497 0.02 1 1650 226 226 ILE HB H 2.138 0.02 1 1651 226 226 ILE HD1 H 1.178 0.02 1 1652 226 226 ILE HG12 H 1.122 0.02 1 1653 226 226 ILE HG2 H 1.41 0.02 1 1654 226 226 ILE CA C 62.65 0.2 1 1655 226 226 ILE CB C 38.51 0.2 1 1656 226 226 ILE CD1 C 14.064 0.2 1 1657 226 226 ILE CG2 C 18.524 0.2 1 1658 226 226 ILE N N 119.942 0.2 1 1659 227 227 THR H H 9.811 0.02 1 1660 227 227 THR HA H 4.776 0.02 1 1661 227 227 THR HB H 4.438 0.02 1 1662 227 227 THR HG2 H 1.402 0.02 1 1663 227 227 THR CA C 62.37 0.2 1 1664 227 227 THR CB C 69.336 0.2 1 1665 227 227 THR CG2 C 23 0.2 1 1666 227 227 THR N N 119.118 0.2 1 1667 228 228 ALA H H 8.186 0.02 1 1668 228 228 ALA HA H 5.136 0.02 1 1669 228 228 ALA HB H 1.372 0.02 1 1670 228 228 ALA CA C 52.717 0.2 1 1671 228 228 ALA CB C 22.784 0.2 1 1672 228 228 ALA N N 123.857 0.2 1 1673 229 229 VAL H H 8.658 0.02 1 1674 229 229 VAL HA H 4.64 0.02 1 1675 229 229 VAL HB H 2.038 0.02 1 1676 229 229 VAL HG2 H 1.27 0.02 1 1677 229 229 VAL CB C 34.72 0.2 1 1678 229 229 VAL CG2 C 22.004 0.2 1 1679 229 229 VAL N N 119.064 0.2 1 1680 230 230 GLU H H 8.92 0.02 1 1681 230 230 GLU HA H 4.834 0.02 1 1682 230 230 GLU HB2 H 1.631 0.02 1 1683 230 230 GLU HG2 H 2.042 0.02 1 1684 230 230 GLU CA C 53.26 0.2 1 1685 230 230 GLU CB C 33.024 0.2 1 1686 230 230 GLU CG C 35.84 0.2 1 1687 230 230 GLU N N 126.24 0.2 1 1688 231 231 GLY H H 7.094 0.02 1 1689 231 231 GLY HA3 H 3.574 0.02 2 1690 231 231 GLY CA C 46.72 0.2 1 1691 231 231 GLY N N 105.128 0.2 1 1692 232 232 THR H H 8.26 0.02 1 1693 232 232 THR HA H 5.565 0.02 1 1694 232 232 THR HB H 3.808 0.02 1 1695 232 232 THR HG2 H 0.681 0.02 1 1696 232 232 THR CA C 59.816 0.2 1 1697 232 232 THR CB C 73.186 0.2 1 1698 232 232 THR CG2 C 22.58 0.2 1 1699 232 232 THR N N 110.326 0.2 1 1700 233 233 TYR H H 8.576 0.02 1 1701 233 233 TYR HA H 5.849 0.02 1 1702 233 233 TYR HB3 H 2.935 0.02 1 1703 233 233 TYR HE1 H 6.674 0.02 3 1704 233 233 TYR HE2 H 6.674 0.02 3 1705 233 233 TYR CA C 56.245 0.2 1 1706 233 233 TYR CB C 42.026 0.2 1 1707 233 233 TYR CE1 C 117.866 0.2 3 1708 233 233 TYR N N 117.089 0.2 1 1709 234 234 ASP H H 9.576 0.02 1 1710 234 234 ASP HA H 5.197 0.02 1 1711 234 234 ASP HB2 H 2.737 0.02 1 1712 234 234 ASP CA C 52.23 0.2 1 1713 234 234 ASP CB C 46.292 0.2 1 1714 234 234 ASP N N 120.61 0.2 1 1715 235 235 LYS H H 8.42 0.02 1 1716 235 235 LYS HA H 4.786 0.02 1 1717 235 235 LYS HB3 H 1.807 0.02 1 1718 235 235 LYS HD3 H 1.687 0.02 1 1719 235 235 LYS HE2 H 3.003 0.02 1 1720 235 235 LYS HG3 H 1.426 0.02 1 1721 235 235 LYS CA C 55.773 0.2 1 1722 235 235 LYS CB C 33.26 0.2 1 1723 235 235 LYS CD C 28.928 0.2 1 1724 235 235 LYS CE C 41.846 0.2 1 1725 235 235 LYS CG C 24.406 0.2 1 1726 235 235 LYS N N 119.387 0.2 1 1727 236 236 ILE H H 8.38 0.02 1 1728 236 236 ILE HA H 3.952 0.02 1 1729 236 236 ILE HB H 1.489 0.02 1 1730 236 236 ILE HD1 H 0.725 0.02 1 1731 236 236 ILE HG12 H 0.821 0.02 1 1732 236 236 ILE HG2 H 0.771 0.02 1 1733 236 236 ILE CA C 61.246 0.2 1 1734 236 236 ILE CB C 39.19 0.2 1 1735 236 236 ILE CD1 C 13.464 0.2 1 1736 236 236 ILE CG1 C 28.21 0.2 1 1737 236 236 ILE CG2 C 16.844 0.2 1 1738 236 236 ILE N N 124.912 0.2 1 1739 237 237 PHE H H 8.772 0.02 1 1740 237 237 PHE HA H 4.187 0.02 1 1741 237 237 PHE HB3 H 2.913 0.02 1 1742 237 237 PHE HE1 H 7.339 0.02 3 1743 237 237 PHE HE2 H 7.339 0.02 3 1744 237 237 PHE CA C 60.476 0.2 1 1745 237 237 PHE CB C 38.45 0.2 1 1746 237 237 PHE N N 127.83 0.2 1 1747 238 238 GLY H H 8.226 0.02 1 1748 238 238 GLY HA3 H 3.85 0.02 2 1749 238 238 GLY CA C 45.22 0.2 1 1750 238 238 GLY N N 114.316 0.2 1 1751 239 239 SER H H 7.88 0.02 1 1752 239 239 SER HA H 4.686 0.02 1 1753 239 239 SER HB2 H 3.732 0.02 1 1754 239 239 SER CB C 64.981 0.2 1 1755 239 239 SER N N 114.976 0.2 1 1756 240 240 ASP H H 8.308 0.02 1 1757 240 240 ASP HA H 4.775 0.02 1 1758 240 240 ASP HB2 H 2.503 0.02 1 1759 240 240 ASP CA C 54.533 0.2 1 1760 240 240 ASP CB C 41.448 0.2 1 1761 240 240 ASP N N 119.447 0.2 1 1762 241 241 GLY H H 8.135 0.02 1 1763 241 241 GLY HA3 H 3.822 0.02 2 1764 241 241 GLY CA C 44.958 0.2 1 1765 241 241 GLY N N 108.22 0.2 1 1766 242 242 LEU H H 8.409 0.02 1 1767 242 242 LEU HA H 5.213 0.02 1 1768 242 242 LEU HB3 H 1.244 0.02 1 1769 242 242 LEU HD1 H 0.697 0.02 1 1770 242 242 LEU CA C 54.06 0.2 1 1771 242 242 LEU CB C 45 0.2 1 1772 242 242 LEU CD1 C 24.746 0.2 1 1773 242 242 LEU N N 119.91 0.2 1 1774 243 243 ILE H H 9.251 0.02 1 1775 243 243 ILE HA H 4.93 0.02 1 1776 243 243 ILE HB H 1.694 0.02 1 1777 243 243 ILE HD1 H 0.599 0.02 1 1778 243 243 ILE HG12 H 1.193 0.02 1 1779 243 243 ILE HG2 H 0.711 0.02 1 1780 243 243 ILE CA C 59.004 0.2 1 1781 243 243 ILE CB C 42.7 0.2 1 1782 243 243 ILE CD1 C 14.564 0.2 1 1783 243 243 ILE CG1 C 26.44 0.2 1 1784 243 243 ILE CG2 C 17.141 0.2 1 1785 243 243 ILE N N 117.806 0.2 1 1786 244 244 ILE H H 8.232 0.02 1 1787 244 244 ILE HA H 4.5 0.02 1 1788 244 244 ILE HB H 1.955 0.02 1 1789 244 244 ILE HD1 H 0.783 0.02 1 1790 244 244 ILE HG12 H 1.475 0.02 1 1791 244 244 ILE HG2 H 0.976 0.02 1 1792 244 244 ILE CA C 59.876 0.2 1 1793 244 244 ILE CB C 35.6 0.2 1 1794 244 244 ILE CD1 C 9.162 0.2 1 1795 244 244 ILE CG2 C 17.374 0.2 1 1796 244 244 ILE N N 123.299 0.2 1 1797 245 245 THR H H 9.246 0.02 1 1798 245 245 THR HA H 4.458 0.02 1 1799 245 245 THR HB H 4.77 0.02 1 1800 245 245 THR HG2 H 1.372 0.02 1 1801 245 245 THR CA C 61.966 0.2 1 1802 245 245 THR CB C 69.786 0.2 1 1803 245 245 THR CG2 C 24.514 0.2 1 1804 245 245 THR N N 118.259 0.2 1 1805 246 246 MET H H 7.524 0.02 1 1806 246 246 MET HA H 5.285 0.02 1 1807 246 246 MET HB2 H 1.652 0.02 1 1808 246 246 MET HE H 1.563 0.02 1 1809 246 246 MET HG2 H 2.163 0.02 1 1810 246 246 MET CA C 55.11 0.2 1 1811 246 246 MET CB C 33.46 0.2 1 1812 246 246 MET CE C 15.927 0.2 1 1813 246 246 MET CG C 31.57 0.2 1 1814 246 246 MET N N 122.575 0.2 1 1815 247 247 LEU H H 8.316 0.02 1 1816 247 247 LEU HA H 4.893 0.02 1 1817 247 247 LEU HB3 H 0.932 0.02 1 1818 247 247 LEU HD1 H 0.243 0.02 1 1819 247 247 LEU HG H 1.291 0.02 1 1820 247 247 LEU CA C 54.39 0.2 1 1821 247 247 LEU CB C 48.9 0.2 1 1822 247 247 LEU CD1 C 24.828 0.2 1 1823 247 247 LEU N N 122.15 0.2 1 1824 248 248 ARG H H 8.792 0.02 1 1825 248 248 ARG HA H 4.198 0.02 1 1826 248 248 ARG HB3 H 1.374 0.02 1 1827 248 248 ARG HD2 H 2.882 0.02 1 1828 248 248 ARG HG3 H 1.195 0.02 1 1829 248 248 ARG CA C 56.034 0.2 1 1830 248 248 ARG CB C 33.91 0.2 1 1831 248 248 ARG CD C 44.297 0.2 1 1832 248 248 ARG CG C 26.44 0.2 1 1833 248 248 ARG N N 121.018 0.2 1 1834 249 249 PHE H H 8.69 0.02 1 1835 249 249 PHE HA H 4.839 0.02 1 1836 249 249 PHE HB3 H 2.837 0.02 1 1837 249 249 PHE HE1 H 7.264 0.02 3 1838 249 249 PHE HE2 H 7.264 0.02 3 1839 249 249 PHE CA C 57.82 0.2 1 1840 249 249 PHE CB C 41.853 0.2 1 1841 249 249 PHE CE1 C 131.514 0.2 3 1842 249 249 PHE N N 123.629 0.2 1 1843 250 250 LYS H H 9.108 0.02 1 1844 250 250 LYS HA H 5.022 0.02 1 1845 250 250 LYS HB3 H 1.953 0.02 1 1846 250 250 LYS HD3 H 1.514 0.02 1 1847 250 250 LYS HE2 H 2.809 0.02 1 1848 250 250 LYS HG3 H 1.33 0.02 1 1849 250 250 LYS CA C 55.918 0.2 1 1850 250 250 LYS CB C 34.119 0.2 1 1851 250 250 LYS CD C 28.78 0.2 1 1852 250 250 LYS CE C 41.91 0.2 1 1853 250 250 LYS CG C 25.024 0.2 1 1854 250 250 LYS N N 123.599 0.2 1 1855 251 251 THR H H 9.55 0.02 1 1856 251 251 THR HA H 5.83 0.02 1 1857 251 251 THR HG2 H 1.255 0.02 1 1858 251 251 THR CA C 58.449 0.2 1 1859 251 251 THR CG2 C 20.364 0.2 1 1860 251 251 THR N N 115.349 0.2 1 1861 252 252 ASN H H 9.403 0.02 1 1862 252 252 ASN HA H 4.485 0.02 1 1863 252 252 ASN HB2 H 2.873 0.02 1 1864 252 252 ASN HD21 H 7.626 0.02 2 1865 252 252 ASN HD22 H 7.022 0.02 2 1866 252 252 ASN CA C 55.36 0.2 1 1867 252 252 ASN CB C 34.949 0.2 1 1868 252 252 ASN N N 114.383 0.2 1 1869 252 252 ASN ND2 N 114.244 0.2 1 1870 253 253 LYS H H 8.771 0.02 1 1871 253 253 LYS HA H 4.524 0.02 1 1872 253 253 LYS HB3 H 1.801 0.02 1 1873 253 253 LYS HD3 H 1.538 0.02 1 1874 253 253 LYS HE2 H 2.763 0.02 1 1875 253 253 LYS HG3 H 1.207 0.02 1 1876 253 253 LYS CA C 56.749 0.2 1 1877 253 253 LYS CB C 35.31 0.2 1 1878 253 253 LYS CD C 28.78 0.2 1 1879 253 253 LYS CE C 41.67 0.2 1 1880 253 253 LYS CG C 24.704 0.2 1 1881 253 253 LYS N N 118.233 0.2 1 1882 254 254 GLN H H 8.463 0.02 1 1883 254 254 GLN HA H 4.832 0.02 1 1884 254 254 GLN HB2 H 2.172 0.02 1 1885 254 254 GLN HE21 H 6.647 0.02 2 1886 254 254 GLN HE22 H 9.572 0.02 2 1887 254 254 GLN HG2 H 2.388 0.02 1 1888 254 254 GLN CA C 55.155 0.2 1 1889 254 254 GLN CB C 31.585 0.2 1 1890 254 254 GLN CG C 31.56 0.2 1 1891 254 254 GLN N N 117.468 0.2 1 1892 254 254 GLN NE2 N 118.006 0.2 1 1893 255 255 THR H H 8.502 0.02 1 1894 255 255 THR HA H 4.966 0.02 1 1895 255 255 THR HB H 3.835 0.02 1 1896 255 255 THR HG2 H 1.196 0.02 1 1897 255 255 THR CA C 61.856 0.2 1 1898 255 255 THR CB C 70.929 0.2 1 1899 255 255 THR CG2 C 21.194 0.2 1 1900 255 255 THR N N 115.513 0.2 1 1901 256 256 SER H H 9.215 0.02 1 1902 256 256 SER HA H 3.938 0.02 1 1903 256 256 SER HB2 H 3.721 0.02 1 1904 256 256 SER CA C 58.97 0.2 1 1905 256 256 SER N N 124.12 0.2 1 1906 257 257 ALA H H 8.284 0.02 1 1907 257 257 ALA HA H 4.207 0.02 1 1908 257 257 ALA HB H 0.984 0.02 1 1909 257 257 ALA CA C 51.12 0.2 1 1910 257 257 ALA CB C 16.384 0.2 1 1911 257 257 ALA N N 122.531 0.2 1 1912 258 258 PRO HA H 4.176 0.02 1 1913 258 258 PRO HB2 H 1.666 0.02 1 1914 258 258 PRO HD3 H 3.531 0.02 1 1915 258 258 PRO HG2 H 2.103 0.02 1 1916 258 258 PRO CA C 62.486 0.2 1 1917 258 258 PRO CB C 30.26 0.2 1 1918 258 258 PRO CD C 48.75 0.2 1 1919 258 258 PRO CG C 26.84 0.2 1 1920 259 259 PHE H H 8.956 0.02 1 1921 259 259 PHE HA H 4.713 0.02 1 1922 259 259 PHE HB3 H 2.81 0.02 1 1923 259 259 PHE HE1 H 7.121 0.02 3 1924 259 259 PHE HE2 H 7.121 0.02 3 1925 259 259 PHE CB C 39.171 0.2 1 1926 259 259 PHE CE1 C 130.501 0.2 3 1927 259 259 PHE N N 125.917 0.2 1 1928 260 260 GLY H H 8.351 0.02 1 1929 260 260 GLY HA3 H 4.8 0.02 2 1930 260 260 GLY CA C 43.53 0.2 1 1931 260 260 GLY N N 110.459 0.2 1 1932 261 261 LEU H H 8.156 0.02 1 1933 261 261 LEU HA H 4.313 0.02 1 1934 261 261 LEU HB3 H 1.431 0.02 1 1935 261 261 LEU HD1 H 0.787 0.02 1 1936 261 261 LEU HG H 1.342 0.02 1 1937 261 261 LEU CA C 53.957 0.2 1 1938 261 261 LEU CB C 43.264 0.2 1 1939 261 261 LEU CD1 C 23.834 0.2 1 1940 261 261 LEU CG C 26.618 0.2 1 1941 261 261 LEU N N 123.735 0.2 1 1942 262 262 GLU H H 8.228 0.02 1 1943 262 262 GLU HA H 3.704 0.02 1 1944 262 262 GLU HB2 H 1.633 0.02 1 1945 262 262 GLU HG2 H 1.915 0.02 1 1946 262 262 GLU CA C 56.808 0.2 1 1947 262 262 GLU CB C 29.28 0.2 1 1948 262 262 GLU CG C 35.644 0.2 1 1949 262 262 GLU N N 124.42 0.2 1 1950 263 263 ALA H H 7.678 0.02 1 1951 263 263 ALA HA H 4.275 0.02 1 1952 263 263 ALA HB H 1.211 0.02 1 1953 263 263 ALA CA C 53.122 0.2 1 1954 263 263 ALA CB C 19.954 0.2 1 1955 263 263 ALA N N 130.584 0.2 1 1956 264 264 GLY H H 8.502 0.02 1 1957 264 264 GLY HA3 H 4.593 0.02 2 1958 264 264 GLY CA C 44.08 0.2 1 1959 264 264 GLY N N 111.247 0.2 1 1960 265 265 THR H H 8.876 0.02 1 1961 265 265 THR HA H 3.954 0.02 1 1962 265 265 THR HB H 2.812 0.02 1 1963 265 265 THR HG2 H 1.141 0.02 1 1964 265 265 THR CA C 63.116 0.2 1 1965 265 265 THR CB C 70.146 0.2 1 1966 265 265 THR CG2 C 21.177 0.2 1 1967 265 265 THR N N 122.718 0.2 1 1968 266 266 ALA H H 8.417 0.02 1 1969 266 266 ALA HA H 4.946 0.02 1 1970 266 266 ALA HB H 1.309 0.02 1 1971 266 266 ALA CA C 51.537 0.2 1 1972 266 266 ALA CB C 19.87 0.2 1 1973 266 266 ALA N N 128.476 0.2 1 1974 267 267 PHE H H 8.298 0.02 1 1975 267 267 PHE HA H 5.044 0.02 1 1976 267 267 PHE HB3 H 3.011 0.02 1 1977 267 267 PHE HE1 H 7.058 0.02 3 1978 267 267 PHE HE2 H 7.058 0.02 3 1979 267 267 PHE CA C 56.328 0.2 1 1980 267 267 PHE CB C 43.19 0.2 1 1981 267 267 PHE CE1 C 129.809 0.2 3 1982 267 267 PHE N N 116.43 0.2 1 1983 268 268 GLU H H 8.573 0.02 1 1984 268 268 GLU HA H 5.067 0.02 1 1985 268 268 GLU HB2 H 1.871 0.02 1 1986 268 268 GLU HG2 H 1.952 0.02 1 1987 268 268 GLU CA C 55.538 0.2 1 1988 268 268 GLU CB C 33.2 0.2 1 1989 268 268 GLU CG C 36.401 0.2 1 1990 268 268 GLU N N 119.3 0.2 1 1991 269 269 LEU H H 9.597 0.02 1 1992 269 269 LEU HA H 4.817 0.02 1 1993 269 269 LEU HB3 H 1.255 0.02 1 1994 269 269 LEU HD1 H 0.995 0.02 1 1995 269 269 LEU HG H 1.776 0.02 1 1996 269 269 LEU CA C 53.61 0.2 1 1997 269 269 LEU CB C 43.41 0.2 1 1998 269 269 LEU CD1 C 26.869 0.2 1 1999 269 269 LEU CG C 26.69 0.2 1 2000 269 269 LEU N N 126.447 0.2 1 2001 270 270 LYS H H 7.98 0.02 1 2002 270 270 LYS HA H 4.361 0.02 1 2003 270 270 LYS HB3 H 2.194 0.02 1 2004 270 270 LYS HD3 H 1.449 0.02 1 2005 270 270 LYS HE2 H 2.81 0.02 1 2006 270 270 LYS HG3 H 1.117 0.02 1 2007 270 270 LYS CA C 55.786 0.2 1 2008 270 270 LYS CB C 34.305 0.2 1 2009 270 270 LYS CD C 29.097 0.2 1 2010 270 270 LYS CE C 42.2 0.2 1 2011 270 270 LYS CG C 22.424 0.2 1 2012 270 270 LYS N N 117.267 0.2 1 2013 271 271 GLU H H 9.264 0.02 1 2014 271 271 GLU HA H 4.379 0.02 1 2015 271 271 GLU HB2 H 1.707 0.02 1 2016 271 271 GLU HG2 H 1.355 0.02 1 2017 271 271 GLU CA C 56.51 0.2 1 2018 271 271 GLU CB C 32.091 0.2 1 2019 271 271 GLU CG C 34.71 0.2 1 2020 271 271 GLU N N 121.754 0.2 1 2021 272 272 GLU H H 8.937 0.02 1 2022 272 272 GLU HA H 4.222 0.02 1 2023 272 272 GLU HB2 H 2.029 0.02 1 2024 272 272 GLU HG2 H 2.327 0.02 1 2025 272 272 GLU CA C 58.4 0.2 1 2026 272 272 GLU CB C 29.06 0.2 1 2027 272 272 GLU CG C 35.577 0.2 1 2028 272 272 GLU N N 128.638 0.2 1 2029 273 273 GLY HA3 H 4.242 0.02 2 2030 273 273 GLY CA C 46.11 0.2 1 2031 274 274 HIS H H 8.355 0.02 1 2032 274 274 HIS HA H 5.14 0.02 1 2033 274 274 HIS HD2 H 6.069 0.02 1 2034 274 274 HIS HE1 H 7.73 0.02 1 2035 274 274 HIS CA C 55.53 0.2 1 2036 274 274 HIS CE1 C 139.959 0.2 1 2037 274 274 HIS N N 117.618 0.2 1 2038 275 275 LYS H H 9.182 0.02 1 2039 275 275 LYS HA H 5.301 0.02 1 2040 275 275 LYS HB3 H 1.546 0.02 1 2041 275 275 LYS HD3 H 1.04 0.02 1 2042 275 275 LYS HE2 H 2.603 0.02 1 2043 275 275 LYS CA C 53 0.2 1 2044 275 275 LYS CB C 35.404 0.2 1 2045 275 275 LYS CD C 29.08 0.2 1 2046 275 275 LYS CE C 42.29 0.2 1 2047 275 275 LYS N N 116.796 0.2 1 2048 276 276 ILE H H 8.84 0.02 1 2049 276 276 ILE HA H 4.603 0.02 1 2050 276 276 ILE HB H 1.622 0.02 1 2051 276 276 ILE HD1 H 0.918 0.02 1 2052 276 276 ILE HG12 H 0.935 0.02 1 2053 276 276 ILE HG2 H 0.8 0.02 1 2054 276 276 ILE CB C 38.336 0.2 1 2055 276 276 ILE CD1 C 14.494 0.2 1 2056 276 276 ILE CG1 C 30.7 0.2 1 2057 276 276 ILE CG2 C 18.524 0.2 1 2058 276 276 ILE N N 123.156 0.2 1 2059 277 277 VAL H H 8.283 0.02 1 2060 277 277 VAL HA H 4.464 0.02 1 2061 277 277 VAL HB H 2.764 0.02 1 2062 277 277 VAL HG2 H 0.476 0.02 1 2063 277 277 VAL CA C 60.611 0.2 1 2064 277 277 VAL CB C 32.15 0.2 1 2065 277 277 VAL CG2 C 18.084 0.2 1 2066 277 277 VAL N N 115.981 0.2 1 2067 278 278 GLY H H 6.945 0.02 1 2068 278 278 GLY HA3 H 4.74 0.02 2 2069 278 278 GLY N N 105.424 0.2 1 2070 279 279 PHE H H 6.775 0.02 1 2071 279 279 PHE HA H 5.374 0.02 1 2072 279 279 PHE HB3 H 3.044 0.02 1 2073 279 279 PHE HE1 H 6.89 0.02 3 2074 279 279 PHE HE2 H 6.89 0.02 3 2075 279 279 PHE CA C 57.13 0.2 1 2076 279 279 PHE CB C 43.55 0.2 1 2077 279 279 PHE CE1 C 129.167 0.2 3 2078 279 279 PHE N N 115.109 0.2 1 2079 280 280 HIS H H 7.371 0.02 1 2080 280 280 HIS HA H 3.818 0.02 1 2081 280 280 HIS HB3 H 2.954 0.02 1 2082 280 280 HIS HE1 H 7.407 0.02 1 2083 280 280 HIS CA C 53.81 0.2 1 2084 280 280 HIS CB C 32.582 0.2 1 2085 280 280 HIS CE1 C 138.781 0.2 1 2086 280 280 HIS N N 116.994 0.2 1 2087 281 281 GLY H H 7.017 0.02 1 2088 281 281 GLY HA3 H 3.825 0.02 2 2089 281 281 GLY CA C 45.88 0.2 1 2090 281 281 GLY N N 102.302 0.2 1 2091 282 282 LYS H H 8.126 0.02 1 2092 282 282 LYS HA H 5.194 0.02 1 2093 282 282 LYS HB3 H 1.895 0.02 1 2094 282 282 LYS HD3 H 1.152 0.02 1 2095 282 282 LYS HE2 H 2.617 0.02 1 2096 282 282 LYS HG3 H 1.385 0.02 1 2097 282 282 LYS CA C 56.869 0.2 1 2098 282 282 LYS CB C 37.54 0.2 1 2099 282 282 LYS CE C 42.39 0.2 1 2100 282 282 LYS CG C 26.422 0.2 1 2101 282 282 LYS N N 118.573 0.2 1 2102 283 283 ALA H H 9.169 0.02 1 2103 283 283 ALA HA H 5.627 0.02 1 2104 283 283 ALA HB H 1.534 0.02 1 2105 283 283 ALA CA C 52.104 0.2 1 2106 283 283 ALA CB C 22.754 0.2 1 2107 283 283 ALA N N 123.263 0.2 1 2108 284 284 SER H H 9.505 0.02 1 2109 284 284 SER HA H 5.037 0.02 1 2110 284 284 SER HB2 H 4.323 0.02 1 2111 284 284 SER CA C 57.79 0.2 1 2112 284 284 SER CB C 62.126 0.2 1 2113 284 284 SER N N 122.997 0.2 1 2114 285 285 GLU HA H 4.341 0.02 1 2115 285 285 GLU HB2 H 2.003 0.02 1 2116 285 285 GLU HG2 H 2.247 0.02 1 2117 285 285 GLU CA C 58.577 0.2 1 2118 285 285 GLU CB C 28.997 0.2 1 2119 285 285 GLU CG C 36.726 0.2 1 2120 286 286 LEU H H 7.696 0.02 1 2121 286 286 LEU HA H 5.097 0.02 1 2122 286 286 LEU HB3 H 1.341 0.02 1 2123 286 286 LEU HD1 H 0.729 0.02 1 2124 286 286 LEU HG H 1.473 0.02 1 2125 286 286 LEU CA C 53.14 0.2 1 2126 286 286 LEU CB C 44.89 0.2 1 2127 286 286 LEU CD1 C 24.934 0.2 1 2128 286 286 LEU CG C 26.79 0.2 1 2129 286 286 LEU N N 116.282 0.2 1 2130 287 287 LEU H H 8.032 0.02 1 2131 287 287 LEU HA H 4.486 0.02 1 2132 287 287 LEU HB3 H 2.062 0.02 1 2133 287 287 LEU HD1 H 1.445 0.02 1 2134 287 287 LEU CB C 42.74 0.2 1 2135 287 287 LEU CD1 C 23.256 0.2 1 2136 287 287 LEU N N 120.411 0.2 1 2137 288 288 HIS H H 7.959 0.02 1 2138 288 288 HIS HA H 4.899 0.02 1 2139 288 288 HIS HB3 H 3.118 0.02 1 2140 288 288 HIS HE1 H 7.571 0.02 1 2141 288 288 HIS CA C 58.051 0.2 1 2142 288 288 HIS CB C 31.22 0.2 1 2143 288 288 HIS CE1 C 138.471 0.2 1 2144 288 288 HIS N N 124.155 0.2 1 2145 289 289 GLN H H 8.015 0.02 1 2146 289 289 GLN HA H 5.151 0.02 1 2147 289 289 GLN HB2 H 1.954 0.02 1 2148 289 289 GLN HG2 H 1.619 0.02 1 2149 289 289 GLN CA C 53.926 0.2 1 2150 289 289 GLN CB C 33.49 0.2 1 2151 289 289 GLN CG C 35.248 0.2 1 2152 289 289 GLN N N 117.201 0.2 1 2153 290 290 PHE H H 8.758 0.02 1 2154 290 290 PHE HA H 5.122 0.02 1 2155 290 290 PHE HB3 H 2.748 0.02 1 2156 290 290 PHE HE1 H 7.45 0.02 3 2157 290 290 PHE HE2 H 7.45 0.02 3 2158 290 290 PHE CA C 58.1 0.2 1 2159 290 290 PHE CB C 44.504 0.2 1 2160 290 290 PHE CE1 C 130.364 0.2 3 2161 290 290 PHE N N 124.607 0.2 1 2162 291 291 GLY H H 8.224 0.02 1 2163 291 291 GLY HA3 H 4.736 0.02 2 2164 291 291 GLY N N 115.021 0.2 1 2165 292 292 VAL H H 6.68 0.02 1 2166 292 292 VAL HA H 5.142 0.02 1 2167 292 292 VAL HB H 2.151 0.02 1 2168 292 292 VAL HG2 H 0.538 0.02 1 2169 292 292 VAL CA C 57.857 0.2 1 2170 292 292 VAL CB C 35.89 0.2 1 2171 292 292 VAL CG2 C 19.034 0.2 1 2172 292 292 VAL N N 103.982 0.2 1 2173 293 293 HIS H H 7.625 0.02 1 2174 293 293 HIS HA H 5.35 0.02 1 2175 293 293 HIS HB3 H 2.418 0.02 1 2176 293 293 HIS HD2 H 6.187 0.02 1 2177 293 293 HIS HE1 H 7.264 0.02 1 2178 293 293 HIS CA C 55.219 0.2 1 2179 293 293 HIS CB C 34.856 0.2 1 2180 293 293 HIS CE1 C 138.796 0.2 1 2181 293 293 HIS N N 120.135 0.2 1 2182 294 294 VAL H H 9.386 0.02 1 2183 294 294 VAL HA H 5.744 0.02 1 2184 294 294 VAL HB H 2.058 0.02 1 2185 294 294 VAL HG2 H 0.58 0.02 1 2186 294 294 VAL CA C 58.654 0.2 1 2187 294 294 VAL CB C 35.84 0.2 1 2188 294 294 VAL CG2 C 18.454 0.2 1 2189 294 294 VAL N N 112.875 0.2 1 2190 295 295 MET H H 9.129 0.02 1 2191 295 295 MET HA H 5.198 0.02 1 2192 295 295 MET HB2 H 1.869 0.02 1 2193 295 295 MET HE H 2.106 0.02 1 2194 295 295 MET HG2 H 2.468 0.02 1 2195 295 295 MET CA C 52.73 0.2 1 2196 295 295 MET CB C 37.74 0.2 1 2197 295 295 MET CE C 17.394 0.2 1 2198 295 295 MET CG C 30.93 0.2 1 2199 295 295 MET N N 119.97 0.2 1 2200 296 296 PRO HA H 3.568 0.02 1 2201 296 296 PRO HB2 H 1.661 0.02 1 2202 296 296 PRO HD3 H 3.757 0.02 1 2203 296 296 PRO HG2 H 1.909 0.02 1 2204 296 296 PRO CA C 63.268 0.2 1 2205 296 296 PRO CB C 31.74 0.2 1 2206 296 296 PRO CD C 50.93 0.2 1 2207 296 296 PRO CG C 27.023 0.2 1 2208 297 297 LEU H H 7.822 0.02 1 2209 297 297 LEU HA H 3.981 0.02 1 2210 297 297 LEU HB3 H 1.334 0.02 1 2211 297 297 LEU HD1 H 0.67 0.02 1 2212 297 297 LEU HG H 1.139 0.02 1 2213 297 297 LEU CA C 55.53 0.2 1 2214 297 297 LEU CB C 41.949 0.2 1 2215 297 297 LEU CD1 C 24.614 0.2 1 2216 297 297 LEU CG C 27.122 0.2 1 2217 297 297 LEU N N 121.05 0.2 1 2218 298 298 THR H H 7.828 0.02 1 2219 298 298 THR HA H 4.292 0.02 1 2220 298 298 THR HB H 4.172 0.02 1 2221 298 298 THR HG2 H 1.065 0.02 1 2222 298 298 THR CA C 61.176 0.2 1 2223 298 298 THR CB C 70.106 0.2 1 2224 298 298 THR CG2 C 21.003 0.2 1 2225 298 298 THR N N 112.618 0.2 1 2226 299 299 ASN H H 7.959 0.02 1 2227 299 299 ASN HA H 4.409 0.02 1 2228 299 299 ASN HB2 H 2.59 0.02 1 2229 299 299 ASN CA C 54.97 0.2 1 2230 299 299 ASN CB C 40.239 0.2 1 2231 299 299 ASN N N 125.911 0.2 1 stop_ save_