data_50185 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; AcrIIA5 ; _BMRB_accession_number 50185 _BMRB_flat_file_name bmr50185.str _Entry_type original _Submission_date 2020-01-29 _Accession_date 2020-01-29 _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 Suh Jeong-Yong . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 683 "13C chemical shifts" 533 "15N chemical shifts" 121 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-07-13 update BMRB 'update entry citation' 2020-06-03 original author 'original release' stop_ _Original_release_date 2020-02-10 save_ ############################# # Citation for this entry # ############################# save_citations_1_TBA _Saveframe_category entry_citation _Citation_full . _Citation_title ; Intrinsic disorder is essential for Cas9 inhibition of anti-CRISPR AcrIIA5 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32544231 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 An 'So Young' Y. . 2 Ka Donghyun . . 3 Kim Iktae . . 4 Kim Eun-Hee H. . 5 Kim Nak-Kyoon K. . 6 Bae Euiyoung . . 7 Suh Jeong-Yong Y. . stop_ _Journal_abbreviation 'Nucleic Acids Res.' _Journal_name_full 'Nucleic Acids Research' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1_AcrIIA5 _Saveframe_category molecular_system _Mol_system_name AcrIIA5 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label AcrIIA5 $entity_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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Anti-CRISPR_AcrIIA5 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 140 _Mol_residue_sequence ; MAYGKSRYNSYRKRSFNRSN KQRREYAQEMDRLEKAFENL DGWYLSSMKDSAYKDFGKYE IRLSNHSADNKYHDLENGRL IVNIKASKLNFVDIIENKLD KIIEKIDKLDLDKYRFINAT NLEHDIKCYYKGFKTKKEVI ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 TYR 4 GLY 5 LYS 6 SER 7 ARG 8 TYR 9 ASN 10 SER 11 TYR 12 ARG 13 LYS 14 ARG 15 SER 16 PHE 17 ASN 18 ARG 19 SER 20 ASN 21 LYS 22 GLN 23 ARG 24 ARG 25 GLU 26 TYR 27 ALA 28 GLN 29 GLU 30 MET 31 ASP 32 ARG 33 LEU 34 GLU 35 LYS 36 ALA 37 PHE 38 GLU 39 ASN 40 LEU 41 ASP 42 GLY 43 TRP 44 TYR 45 LEU 46 SER 47 SER 48 MET 49 LYS 50 ASP 51 SER 52 ALA 53 TYR 54 LYS 55 ASP 56 PHE 57 GLY 58 LYS 59 TYR 60 GLU 61 ILE 62 ARG 63 LEU 64 SER 65 ASN 66 HIS 67 SER 68 ALA 69 ASP 70 ASN 71 LYS 72 TYR 73 HIS 74 ASP 75 LEU 76 GLU 77 ASN 78 GLY 79 ARG 80 LEU 81 ILE 82 VAL 83 ASN 84 ILE 85 LYS 86 ALA 87 SER 88 LYS 89 LEU 90 ASN 91 PHE 92 VAL 93 ASP 94 ILE 95 ILE 96 GLU 97 ASN 98 LYS 99 LEU 100 ASP 101 LYS 102 ILE 103 ILE 104 GLU 105 LYS 106 ILE 107 ASP 108 LYS 109 LEU 110 ASP 111 LEU 112 ASP 113 LYS 114 TYR 115 ARG 116 PHE 117 ILE 118 ASN 119 ALA 120 THR 121 ASN 122 LEU 123 GLU 124 HIS 125 ASP 126 ILE 127 LYS 128 CYS 129 TYR 130 TYR 131 LYS 132 GLY 133 PHE 134 LYS 135 THR 136 LYS 137 LYS 138 GLU 139 VAL 140 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'Streptococcus thermophilus' 1308 Bacteria . Streptococcus thermophilus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli . plasmid pET28 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1_AcrIIA5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.7 mM '[U-100% 13C; U-100% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1_PIPP _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1_Avance_III_900_MHz _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-13C_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1_AcrIIA5 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' 0.5 . M pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1_A5 _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 A5 C 13 carbon ppm 0 na indirect . . . 1 A5 H 1 protons ppm 0 na direct . . . 1 A5 N 15 nitrogen ppm 0 na indirect . . . 1 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_chemical_shifts_1_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1_AcrIIA5 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1_A5 _Mol_system_component_name AcrIIA5 _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 MET H H 8.4375 . . 2 1 1 MET HA H 4.423 . . 3 1 1 MET HB2 H 2.482 . . 4 1 1 MET HB3 H 1.944 . . 5 1 1 MET C C 175.4500 . . 6 1 1 MET CA C 55.7000 . . 7 1 1 MET CB C 32.9400 . . 8 1 1 MET N N 122.5600 . . 9 2 2 ALA H H 8.3496 . . 10 2 2 ALA HA H 4.304 . . 11 2 2 ALA HB H 1.325 . . 12 2 2 ALA C C 177.1400 . . 13 2 2 ALA CA C 52.3700 . . 14 2 2 ALA CB C 19.4200 . . 15 2 2 ALA N N 125.7280 . . 16 3 3 TYR H H 8.1559 . . 17 3 3 TYR HA H 4.5560 . . 18 3 3 TYR HB2 H 3.1020 . . 19 3 3 TYR HB3 H 2.9720 . . 20 3 3 TYR C C 176.4500 . . 21 3 3 TYR CA C 58.0520 . . 22 3 3 TYR CB C 38.8460 . . 23 3 3 TYR N N 119.5790 . . 24 4 4 GLY H H 8.3361 . . 25 4 4 GLY HA2 H 3.9310 . . 26 4 4 GLY HA3 H 3.9310 . . 27 4 4 GLY C C 174.1500 . . 28 4 4 GLY CA C 45.4700 . . 29 4 4 GLY N N 110.4500 . . 30 5 5 LYS H H 8.1461 . . 31 5 5 LYS HA H 4.353 . . 32 5 5 LYS HB2 H 1.892 . . 33 5 5 LYS HB3 H 1.892 . . 34 5 5 LYS HG2 H 1.441 . . 35 5 5 LYS HG3 H 1.441 . . 36 5 5 LYS HD2 H 1.771 . . 37 5 5 LYS HD3 H 1.771 . . 38 5 5 LYS HE2 H 3.018 . . 39 5 5 LYS HE3 H 3.018 . . 40 5 5 LYS C C 176.8300 . . 41 5 5 LYS CA C 56.5500 . . 42 5 5 LYS CB C 33.1300 . . 43 5 5 LYS CG C 24.78 . . 44 5 5 LYS CD C 29.09 . . 45 5 5 LYS CE C 42.16 . . 46 5 5 LYS N N 120.9260 . . 47 6 6 SER H H 8.3303 . . 48 6 6 SER HA H 4.4530 . . 49 6 6 SER HB2 H 3.9380 . . 50 6 6 SER HB3 H 3.9380 . . 51 6 6 SER C C 174.6100 . . 52 6 6 SER CA C 58.7870 . . 53 6 6 SER CB C 63.9400 . . 54 6 6 SER N N 116.4520 . . 55 7 7 ARG H H 8.2870 . . 56 7 7 ARG HA H 4.3020 . . 57 7 7 ARG HB2 H 1.790 . . 58 7 7 ARG HB3 H 1.7020 . . 59 7 7 ARG HG2 H 1.618 . . 60 7 7 ARG HG3 H 1.548 . . 61 7 7 ARG HD2 H 3.210 . . 62 7 7 ARG HD3 H 3.163 . . 63 7 7 ARG C C 176.07 . . 64 7 7 ARG CA C 56.52 . . 65 7 7 ARG CB C 30.75 . . 66 7 7 ARG CG C 27.20 . . 67 7 7 ARG CD C 43.52 . . 68 7 7 ARG N N 122.5100 . . 69 8 8 TYR H H 8.1130 . . 70 8 8 TYR HA H 4.566 . . 71 8 8 TYR HB2 H 3.098 . . 72 8 8 TYR HB3 H 2.930 . . 73 8 8 TYR C C 175.618 . . 74 8 8 TYR CA C 58.019 . . 75 8 8 TYR CB C 38.763 . . 76 8 8 TYR N N 120.1400 . . 77 9 9 ASN H H 8.2450 . . 78 9 9 ASN HA H 4.6789 . . 79 9 9 ASN HB2 H 2.7597 . . 80 9 9 ASN HB3 H 2.7597 . . 81 9 9 ASN C C 175.7600 . . 82 9 9 ASN CA C 53.4200 . . 83 9 9 ASN CB C 39.0200 . . 84 9 9 ASN N N 120.3200 . . 85 11 11 TYR HA H 4.2490 . . 86 11 11 TYR HB2 H 3.082 . . 87 11 11 TYR HB3 H 2.879 . . 88 11 11 TYR C C 177.8500 . . 89 12 12 ARG H H 8.3397 . . 90 12 12 ARG HA H 4.152 . . 91 12 12 ARG HB2 H 2.061 . . 92 12 12 ARG HB3 H 2.061 . . 93 12 12 ARG HD2 H 2.318 . . 94 12 12 ARG HD3 H 2.318 . . 95 12 12 ARG C C 178.6500 . . 96 12 12 ARG CA C 58.4600 . . 97 12 12 ARG CB C 29.4200 . . 98 12 12 ARG CD C 36.05 . . 99 12 12 ARG N N 121.1860 . . 100 13 13 LYS H H 8.3140 . . 101 13 13 LYS HA H 4.249 . . 102 13 13 LYS HB2 H 1.837 . . 103 13 13 LYS HB3 H 1.750 . . 104 13 13 LYS HG2 H 1.468 . . 105 13 13 LYS HG3 H 1.421 . . 106 13 13 LYS HD2 H 1.693 . . 107 13 13 LYS HD3 H 1.693 . . 108 13 13 LYS C C 177.6700 . . 109 13 13 LYS CA C 56.7300 . . 110 13 13 LYS CB C 32.7500 . . 111 13 13 LYS CG C 24.89 . . 112 13 13 LYS CD C 29.12 . . 113 13 13 LYS N N 120.0460 . . 114 14 14 ARG H H 8.2990 . . 115 14 14 ARG HA H 4.311 . . 116 14 14 ARG HB2 H 1.761 . . 117 14 14 ARG HB3 H 1.761 . . 118 14 14 ARG HG2 H 1.626 . . 119 14 14 ARG HG3 H 1.626 . . 120 14 14 ARG HD2 H 3.161 . . 121 14 14 ARG HD3 H 3.161 . . 122 14 14 ARG C C 176.3300 . . 123 14 14 ARG CA C 56.5200 . . 124 14 14 ARG CB C 30.9400 . . 125 14 14 ARG CG C 27.121 . . 126 14 14 ARG CD C 43.38 . . 127 14 14 ARG N N 122.0600 . . 128 15 15 SER H H 8.2269 . . 129 15 15 SER HA H 4.4350 . . 130 15 15 SER HB2 H 3.996 . . 131 15 15 SER HB3 H 3.996 . . 132 15 15 SER C C 174.2100 . . 133 15 15 SER CA C 58.4000 . . 134 15 15 SER CB C 63.9900 . . 135 15 15 SER N N 116.6700 . . 136 16 16 PHE H H 8.2443 . . 137 16 16 PHE HA H 4.6500 . . 138 16 16 PHE HB2 H 3.0300 . . 139 16 16 PHE HB3 H 3.1720 . . 140 16 16 PHE HD1 H 7.2691 . . 141 16 16 PHE HD2 H 7.2691 . . 142 16 16 PHE C C 175.34 . . 143 16 16 PHE CA C 57.9800 . . 144 16 16 PHE CB C 39.7800 . . 145 16 16 PHE CD1 C 131.965 . . 146 16 16 PHE CD2 C 131.965 . . 147 16 16 PHE N N 122.1740 . . 148 17 17 ASN H H 8.3814 . . 149 17 17 ASN HA H 4.6917 . . 150 17 17 ASN HB2 H 2.8225 . . 151 17 17 ASN HB3 H 2.8225 . . 152 17 17 ASN C C 175.2500 . . 153 17 17 ASN CA C 53.4200 . . 154 17 17 ASN CB C 39.2200 . . 155 17 17 ASN N N 120.4590 . . 156 18 18 ARG HA H 4.356 . . 157 18 18 ARG HB2 H 1.898 . . 158 18 18 ARG HB3 H 1.793 . . 159 18 18 ARG HG2 H 1.657 . . 160 18 18 ARG HG3 H 1.657 . . 161 18 18 ARG HD2 H 3.195 . . 162 18 18 ARG HD3 H 3.195 . . 163 18 18 ARG C C 176.4600 . . 164 18 18 ARG CA C 56.6100 . . 165 18 18 ARG CB C 30.7600 . . 166 18 18 ARG CG C 27.34 . . 167 18 18 ARG CD C 43.34 . . 168 19 19 SER H H 8.3742 . . 169 19 19 SER HA H 4.4610 . . 170 19 19 SER HB2 H 3.995 . . 171 19 19 SER HB3 H 3.995 . . 172 19 19 SER C C 174.5500 . . 173 19 19 SER CA C 58.7700 . . 174 19 19 SER CB C 64.0600 . . 175 19 19 SER N N 116.4760 . . 176 20 20 ASN H H 8.4850 . . 177 20 20 ASN HA H 4.659 . . 178 20 20 ASN HB2 H 2.837 . . 179 20 20 ASN HB3 H 2.750 . . 180 20 20 ASN C C 175.6700 . . 181 20 20 ASN CA C 54.0000 . . 182 20 20 ASN CB C 38.95 . . 183 20 20 ASN N N 120.9800 . . 184 21 21 LYS H H 8.2670 . . 185 21 21 LYS HA H 4.215 . . 186 21 21 LYS HB2 H 1.841 . . 187 21 21 LYS HG2 H 0.987 . . 188 21 21 LYS HG3 H 0.987 . . 189 21 21 LYS HD2 H 1.700 . . 190 21 21 LYS HD3 H 1.700 . . 191 21 21 LYS HE2 H 3.007 . . 192 21 21 LYS HE3 H 3.007 . . 193 21 21 LYS C C 178.1200 . . 194 21 21 LYS CA C 57.6500 . . 195 21 21 LYS CB C 32.8940 . . 196 21 21 LYS CG C 24.946 . . 197 21 21 LYS CD C 29.249 . . 198 21 21 LYS CE C 42.243 . . 199 21 21 LYS N N 121.1100 . . 200 23 23 ARG HA H 4.2820 . . 201 23 23 ARG HB2 H 1.8680 . . 202 23 23 ARG HB3 H 1.8680 . . 203 23 23 ARG C C 177.2400 . . 204 23 23 ARG CA C 57.0600 . . 205 23 23 ARG CB C 30.5500 . . 206 24 24 ARG H H 8.3821 . . 207 24 24 ARG HA H 4.2730 . . 208 24 24 ARG HB2 H 1.8460 . . 209 24 24 ARG HB3 H 1.8460 . . 210 24 24 ARG HG2 H 1.702 . . 211 24 24 ARG HG3 H 1.612 . . 212 24 24 ARG C C 177.1400 . . 213 24 24 ARG CA C 57.5600 . . 214 24 24 ARG CB C 30.67 . . 215 24 24 ARG CG C 27.27 . . 216 24 24 ARG CD C 42.29 . . 217 24 24 ARG N N 122.2620 . . 218 25 25 GLU H H 8.5108 . . 219 25 25 GLU HA H 4.2230 . . 220 25 25 GLU HB2 H 2.0310 . . 221 25 25 GLU HB3 H 2.0310 . . 222 25 25 GLU HG2 H 2.3170 . . 223 25 25 GLU HG3 H 2.3170 . . 224 25 25 GLU C C 177.2700 . . 225 25 25 GLU CA C 57.7200 . . 226 25 25 GLU CB C 29.9500 . . 227 25 25 GLU CG C 36.3800 . . 228 25 25 GLU N N 121.0760 . . 229 26 26 TYR H H 8.2130 . . 230 26 26 TYR HA H 4.431 . . 231 26 26 TYR HB2 H 3.095 . . 232 26 26 TYR HB3 H 3.095 . . 233 26 26 TYR HD1 H 7.131 . . 234 26 26 TYR HD2 H 7.131 . . 235 26 26 TYR HE1 H 6.837 . . 236 26 26 TYR HE2 H 6.837 . . 237 26 26 TYR C C 176.4700 . . 238 26 26 TYR CA C 59.7000 . . 239 26 26 TYR CB C 38.6400 . . 240 26 26 TYR CD1 C 133.277 . . 241 26 26 TYR CD2 C 133.277 . . 242 26 26 TYR CE1 C 118.268 . . 243 26 26 TYR CE2 C 118.268 . . 244 26 26 TYR N N 121.3520 . . 245 27 27 ALA H H 8.2319 . . 246 27 27 ALA HA H 4.1510 . . 247 27 27 ALA HB H 1.4880 . . 248 27 27 ALA C C 179.2800 . . 249 27 27 ALA CA C 54.3600 . . 250 27 27 ALA CB C 18.7400 . . 251 27 27 ALA N N 123.0810 . . 252 28 28 GLN H H 8.1704 . . 253 28 28 GLN HA H 4.28 . . 254 28 28 GLN HB2 H 2.085 . . 255 28 28 GLN HB3 H 2.085 . . 256 28 28 GLN HG2 H 2.414 . . 257 28 28 GLN HG3 H 2.414 . . 258 28 28 GLN C C 177.8200 . . 259 28 28 GLN CA C 57.7830 . . 260 28 28 GLN CB C 28.9970 . . 261 28 28 GLN CG C 34.30 . . 262 28 28 GLN N N 118.1760 . . 263 30 30 MET C C 177.6500 . . 264 30 30 MET CA C 56.9100 . . 265 30 30 MET CB C 32.4400 . . 266 31 31 ASP H H 8.2120 . . 267 31 31 ASP HA H 4.5230 . . 268 31 31 ASP HB2 H 2.8300 . . 269 31 31 ASP HB3 H 2.7440 . . 270 31 31 ASP C C 177.7700 . . 271 31 31 ASP CA C 56.5100 . . 272 31 31 ASP CB C 41.3700 . . 273 31 31 ASP N N 121.6200 . . 274 32 32 ARG H H 8.0648 . . 275 32 32 ARG HA H 4.0590 . . 276 32 32 ARG HB2 H 1.9550 . . 277 32 32 ARG HB3 H 1.8330 . . 278 32 32 ARG HG2 H 1.6560 . . 279 32 32 ARG HG3 H 1.6560 . . 280 32 32 ARG HD2 H 3.2420 . . 281 32 32 ARG HD3 H 3.2420 . . 282 32 32 ARG C C 178.8500 . . 283 32 32 ARG CA C 59.1640 . . 284 32 32 ARG CB C 30.3600 . . 285 32 32 ARG CG C 27.7200 . . 286 32 32 ARG CD C 43.6600 . . 287 32 32 ARG N N 119.4030 . . 288 33 33 LEU H H 8.0657 . . 289 33 33 LEU HA H 4.2700 . . 290 33 33 LEU HB2 H 1.962 . . 291 33 33 LEU HG H 1.740 . . 292 33 33 LEU HD1 H 1.122 . . 293 33 33 LEU HD2 H 0.955 . . 294 33 33 LEU C C 178.1900 . . 295 33 33 LEU CA C 58.2600 . . 296 33 33 LEU CB C 42.4500 . . 297 33 33 LEU CG C 26.86 . . 298 33 33 LEU CD1 C 25.20 . . 299 33 33 LEU N N 122.7540 . . 300 34 34 GLU H H 8.3730 . . 301 34 34 GLU HA H 3.9350 . . 302 34 34 GLU HB2 H 2.1690 . . 303 34 34 GLU HB3 H 2.1690 . . 304 34 34 GLU HG2 H 2.4530 . . 305 34 34 GLU HG3 H 2.4530 . . 306 34 34 GLU C C 179.9300 . . 307 34 34 GLU CA C 60.3200 . . 308 34 34 GLU CB C 29.7800 . . 309 34 34 GLU CG C 37.0100 . . 310 34 34 GLU N N 118.3410 . . 311 35 35 LYS H H 8.1986 . . 312 35 35 LYS HA H 4.1170 . . 313 35 35 LYS HB2 H 1.9030 . . 314 35 35 LYS HB3 H 1.9030 . . 315 35 35 LYS HG2 H 1.5280 . . 316 35 35 LYS HG3 H 1.5280 . . 317 35 35 LYS HD2 H 1.6820 . . 318 35 35 LYS HD3 H 1.6820 . . 319 35 35 LYS HE2 H 3.147 . . 320 35 35 LYS HE3 H 3.147 . . 321 35 35 LYS C C 179.3600 . . 322 35 35 LYS CA C 58.9100 . . 323 35 35 LYS CB C 32.1300 . . 324 35 35 LYS CG C 25.3400 . . 325 35 35 LYS CD C 28.6300 . . 326 35 35 LYS CE C 42.2400 . . 327 35 35 LYS N N 118.9130 . . 328 36 36 ALA H H 8.1764 . . 329 36 36 ALA HA H 4.1550 . . 330 36 36 ALA HB H 1.5630 . . 331 36 36 ALA C C 181.0900 . . 332 36 36 ALA CA C 54.9400 . . 333 36 36 ALA CB C 18.6200 . . 334 36 36 ALA N N 122.3360 . . 335 37 37 PHE H H 8.2260 . . 336 37 37 PHE HA H 3.984 . . 337 37 37 PHE HB2 H 3.247 . . 338 37 37 PHE HB3 H 3.141 . . 339 37 37 PHE C C 178.2200 . . 340 37 37 PHE CA C 61.7400 . . 341 37 37 PHE CB C 39.2100 . . 342 37 37 PHE N N 116.6800 . . 343 38 38 GLU H H 7.8430 . . 344 38 38 GLU HA H 4.2120 . . 345 38 38 GLU HB2 H 2.1650 . . 346 38 38 GLU HB3 H 2.1650 . . 347 38 38 GLU HG2 H 2.2420 . . 348 38 38 GLU HG3 H 2.2420 . . 349 38 38 GLU C C 177.3900 . . 350 38 38 GLU CA C 59.0600 . . 351 38 38 GLU CB C 29.5800 . . 352 38 38 GLU CG C 36.8500 . . 353 38 38 GLU N N 120.6630 . . 354 39 39 ASN H H 7.3887 . . 355 39 39 ASN HA H 4.9470 . . 356 39 39 ASN HB2 H 3.0360 . . 357 39 39 ASN HB3 H 2.6560 . . 358 39 39 ASN HD21 H 7.5906 . . 359 39 39 ASN HD22 H 6.9709 . . 360 39 39 ASN C C 174.2800 . . 361 39 39 ASN CA C 53.1500 . . 362 39 39 ASN CB C 39.9100 . . 363 39 39 ASN N N 113.8620 . . 364 39 39 ASN ND2 N 113.9290 . . 365 40 40 LEU H H 7.2657 . . 366 40 40 LEU HA H 4.6050 . . 367 40 40 LEU HB2 H 1.6980 . . 368 40 40 LEU HB3 H 1.2430 . . 369 40 40 LEU HG H -0.1120 . . 370 40 40 LEU HD1 H 0.5990 . . 371 40 40 LEU HD2 H 0.5990 . . 372 40 40 LEU C C 175.7200 . . 373 40 40 LEU CA C 53.4100 . . 374 40 40 LEU CB C 41.9800 . . 375 40 40 LEU CG C 24.9500 . . 376 40 40 LEU CD1 C 22.8710 . . 377 40 40 LEU N N 121.9310 . . 378 41 41 ASP H H 8.4950 . . 379 41 41 ASP HA H 4.4190 . . 380 41 41 ASP HB2 H 2.6450 . . 381 41 41 ASP HB3 H 2.6450 . . 382 41 41 ASP C C 176.9400 . . 383 41 41 ASP CA C 56.1000 . . 384 41 41 ASP CB C 41.4600 . . 385 41 41 ASP N N 124.3100 . . 386 42 42 GLY H H 8.6408 . . 387 42 42 GLY HA2 H 3.7290 . . 388 42 42 GLY HA3 H 3.5050 . . 389 42 42 GLY C C 171.7200 . . 390 42 42 GLY CA C 45.7200 . . 391 42 42 GLY N N 114.3920 . . 392 43 43 TRP H H 7.1657 . . 393 43 43 TRP HA H 4.739 . . 394 43 43 TRP HB2 H 2.999 . . 395 43 43 TRP HB3 H 2.887 . . 396 43 43 TRP HD1 H 6.7730 . . 397 43 43 TRP HE1 H 10.202 . . 398 43 43 TRP HZ2 H 7.438 . . 399 43 43 TRP C C 175.9400 . . 400 43 43 TRP CA C 56.6400 . . 401 43 43 TRP CB C 30.9800 . . 402 43 43 TRP N N 118.0570 . . 403 43 43 TRP NE1 N 129.887 . . 404 44 44 TYR H H 8.9492 . . 405 44 44 TYR HA H 4.8230 . . 406 44 44 TYR HB2 H 2.769 . . 407 44 44 TYR HB3 H 2.769 . . 408 44 44 TYR HD1 H 7.0044 . . 409 44 44 TYR HD2 H 7.0044 . . 410 44 44 TYR HE1 H 6.7642 . . 411 44 44 TYR HE2 H 6.7642 . . 412 44 44 TYR C C 174.4900 . . 413 44 44 TYR CA C 56.7900 . . 414 44 44 TYR CB C 41.3200 . . 415 44 44 TYR CD1 C 133.989 . . 416 44 44 TYR CD2 C 133.989 . . 417 44 44 TYR CE1 C 117.823 . . 418 44 44 TYR CE2 C 117.823 . . 419 44 44 TYR N N 120.3210 . . 420 45 45 LEU H H 8.5946 . . 421 45 45 LEU HA H 4.9410 . . 422 45 45 LEU HB2 H 1.5770 . . 423 45 45 LEU HB3 H 1.2870 . . 424 45 45 LEU HG H 1.2670 . . 425 45 45 LEU HD1 H 0.5170 . . 426 45 45 LEU HD2 H 0.6610 . . 427 45 45 LEU C C 177.9400 . . 428 45 45 LEU CA C 53.4500 . . 429 45 45 LEU CB C 44.7100 . . 430 45 45 LEU CG C 26.8600 . . 431 45 45 LEU CD1 C 24.3300 . . 432 45 45 LEU N N 122.0520 . . 433 46 46 SER H H 8.8018 . . 434 46 46 SER HA H 4.676 . . 435 46 46 SER HB2 H 4.553 . . 436 46 46 SER HB3 H 4.149 . . 437 46 46 SER C C 176.9700 . . 438 46 46 SER CA C 58.0400 . . 439 46 46 SER CB C 64.7100 . . 440 46 46 SER N N 118.5900 . . 441 50 50 ASP HA H 4.6920 . . 442 50 50 ASP HB2 H 3.0970 . . 443 50 50 ASP HB3 H 2.6300 . . 444 50 50 ASP C C 175.5700 . . 445 50 50 ASP CA C 53.1600 . . 446 50 50 ASP CB C 41.2000 . . 447 51 51 SER H H 7.9992 . . 448 51 51 SER HA H 5.4960 . . 449 51 51 SER HB2 H 4.0470 . . 450 51 51 SER HB3 H 4.0470 . . 451 51 51 SER C C 171.5300 . . 452 51 51 SER CA C 57.5200 . . 453 51 51 SER CB C 66.2600 . . 454 51 51 SER N N 113.0060 . . 455 52 52 ALA H H 8.6545 . . 456 52 52 ALA HA H 5.7820 . . 457 52 52 ALA HB H 1.1510 . . 458 52 52 ALA C C 176.2500 . . 459 52 52 ALA CA C 50.5000 . . 460 52 52 ALA CB C 24.1700 . . 461 52 52 ALA N N 123.5310 . . 462 53 53 TYR H H 9.2123 . . 463 53 53 TYR HA H 6.2975 . . 464 53 53 TYR HB2 H 3.031 . . 465 53 53 TYR HB3 H 3.031 . . 466 53 53 TYR HD1 H 6.8449 . . 467 53 53 TYR HD2 H 6.8449 . . 468 53 53 TYR HE1 H 6.5752 . . 469 53 53 TYR HE2 H 6.5752 . . 470 53 53 TYR C C 172.6900 . . 471 53 53 TYR CA C 56.4400 . . 472 53 53 TYR CB C 43.0100 . . 473 53 53 TYR CD1 C 133.358 . . 474 53 53 TYR CD2 C 133.358 . . 475 53 53 TYR CE1 C 117.744 . . 476 53 53 TYR CE2 C 117.744 . . 477 53 53 TYR N N 118.1360 . . 478 54 54 LYS H H 8.2220 . . 479 54 54 LYS HA H 4.1120 . . 480 54 54 LYS C C 174.2300 . . 481 54 54 LYS CA C 56.0200 . . 482 54 54 LYS CB C 30.8800 . . 483 54 54 LYS N N 118.3700 . . 484 55 55 ASP H H 8.8598 . . 485 55 55 ASP HA H 4.7627 . . 486 55 55 ASP HB2 H 2.763 . . 487 55 55 ASP HB3 H 2.705 . . 488 55 55 ASP C C 175.9700 . . 489 55 55 ASP CA C 54.2400 . . 490 55 55 ASP CB C 41.6700 . . 491 55 55 ASP N N 125.8170 . . 492 56 56 PHE H H 8.9310 . . 493 56 56 PHE HA H 4.3610 . . 494 56 56 PHE HB2 H 2.9890 . . 495 56 56 PHE HB3 H 2.5210 . . 496 56 56 PHE HD1 H 7.2865 . . 497 56 56 PHE HD2 H 7.2865 . . 498 56 56 PHE C C 176.6000 . . 499 56 56 PHE CA C 58.7600 . . 500 56 56 PHE CB C 39.9100 . . 501 56 56 PHE CD1 C 131.9695 . . 502 56 56 PHE CD2 C 131.9695 . . 503 56 56 PHE N N 126.5010 . . 504 57 57 GLY H H 9.1769 . . 505 57 57 GLY HA2 H 4.4630 . . 506 57 57 GLY HA3 H 3.3800 . . 507 57 57 GLY C C 175.5000 . . 508 57 57 GLY CA C 46.9500 . . 509 57 57 GLY N N 114.8590 . . 510 58 58 LYS H H 7.8503 . . 511 58 58 LYS HA H 4.1810 . . 512 58 58 LYS HB2 H 1.8410 . . 513 58 58 LYS HB3 H 1.4850 . . 514 58 58 LYS HG2 H 1.3070 . . 515 58 58 LYS HG3 H 1.3070 . . 516 58 58 LYS HD2 H 1.6980 . . 517 58 58 LYS HD3 H 1.6980 . . 518 58 58 LYS C C 175.3400 . . 519 58 58 LYS CA C 57.3200 . . 520 58 58 LYS CB C 32.9000 . . 521 58 58 LYS CG C 24.9500 . . 522 58 58 LYS CD C 29.2500 . . 523 58 58 LYS CE C 42.2400 . . 524 58 58 LYS N N 120.6180 . . 525 59 59 TYR H H 6.9004 . . 526 59 59 TYR HA H 5.128 . . 527 59 59 TYR HB2 H 2.766 . . 528 59 59 TYR HB3 H 2.766 . . 529 59 59 TYR C C 173.3900 . . 530 59 59 TYR CA C 54.8200 . . 531 59 59 TYR CB C 39.8200 . . 532 59 59 TYR N N 110.7770 . . 533 60 60 GLU H H 9.0136 . . 534 60 60 GLU HA H 5.3810 . . 535 60 60 GLU HB2 H 2.0640 . . 536 60 60 GLU HB3 H 2.0640 . . 537 60 60 GLU HG2 H 2.2330 . . 538 60 60 GLU HG3 H 2.0080 . . 539 60 60 GLU C C 175.4600 . . 540 60 60 GLU CA C 54.8200 . . 541 60 60 GLU CB C 33.7600 . . 542 60 60 GLU CG C 37.3500 . . 543 60 60 GLU N N 121.4240 . . 544 61 61 ILE H H 8.8619 . . 545 61 61 ILE HA H 5.1190 . . 546 61 61 ILE HB H 2.0950 . . 547 61 61 ILE HG12 H 1.7250 . . 548 61 61 ILE HG13 H 0.9940 . . 549 61 61 ILE HG2 H 1.1150 . . 550 61 61 ILE HD1 H 0.5780 . . 551 61 61 ILE C C 174.5100 . . 552 61 61 ILE CA C 60.6800 . . 553 61 61 ILE CB C 38.4200 . . 554 61 61 ILE CG1 C 28.3300 . . 555 61 61 ILE CG2 C 18.6400 . . 556 61 61 ILE CD1 C 12.8300 . . 557 61 61 ILE N N 125.2150 . . 558 62 62 ARG H H 9.1593 . . 559 62 62 ARG HA H 5.6180 . . 560 62 62 ARG HB2 H 1.8500 . . 561 62 62 ARG HB3 H 1.6900 . . 562 62 62 ARG C C 174.4500 . . 563 62 62 ARG CA C 54.4400 . . 564 62 62 ARG CB C 33.9800 . . 565 62 62 ARG CG C 27.8200 . . 566 62 62 ARG CD C 42.33 . . 567 62 62 ARG N N 126.3290 . . 568 63 63 LEU H H 9.4032 . . 569 63 63 LEU HA H 5.4290 . . 570 63 63 LEU HB2 H 0.9960 . . 571 63 63 LEU HB3 H 0.9960 . . 572 63 63 LEU HG H 1.5990 . . 573 63 63 LEU HD1 H 0.7010 . . 574 63 63 LEU HD2 H 0.5870 . . 575 63 63 LEU C C 176.5100 . . 576 63 63 LEU CA C 53.6500 . . 577 63 63 LEU CB C 43.2100 . . 578 63 63 LEU CG C 28.2800 . . 579 63 63 LEU CD1 C 26.32 . . 580 63 63 LEU CD2 C 26.41 . . 581 63 63 LEU N N 125.1640 . . 582 64 64 SER H H 8.5742 . . 583 64 64 SER HA H 5.0480 . . 584 64 64 SER HB2 H 4.0170 . . 585 64 64 SER HB3 H 3.9300 . . 586 64 64 SER C C 174.5100 . . 587 64 64 SER CA C 58.1700 . . 588 64 64 SER CB C 65.7100 . . 589 64 64 SER N N 113.8490 . . 590 65 65 ASN H H 9.2918 . . 591 65 65 ASN HA H 5.295 . . 592 65 65 ASN HB2 H 3.050 . . 593 65 65 ASN HB3 H 2.906 . . 594 65 65 ASN C C 176.1000 . . 595 65 65 ASN CA C 52.3400 . . 596 65 65 ASN CB C 39.5000 . . 597 65 65 ASN N N 124.1990 . . 598 67 67 SER H H 8.1402 . . 599 67 67 SER HA H 4.364 . . 600 67 67 SER HB2 H 3.845 . . 601 67 67 SER HB3 H 3.845 . . 602 67 67 SER CA C 58.9000 . . 603 67 67 SER CB C 63.7600 . . 604 67 67 SER N N 116.0550 . . 605 68 68 ALA H H 8.6422 . . 606 68 68 ALA HA H 4.4670 . . 607 68 68 ALA HB H 1.4290 . . 608 68 68 ALA C C 177.1300 . . 609 68 68 ALA CA C 52.3100 . . 610 68 68 ALA CB C 19.6300 . . 611 68 68 ALA N N 127.4470 . . 612 69 69 ASP H H 8.3261 . . 613 69 69 ASP HA H 4.5510 . . 614 69 69 ASP HB2 H 2.7040 . . 615 69 69 ASP HB3 H 2.7040 . . 616 69 69 ASP C C 176.1400 . . 617 69 69 ASP CA C 54.6900 . . 618 69 69 ASP CB C 41.0600 . . 619 69 69 ASP N N 119.7980 . . 620 70 70 ASN H H 8.2480 . . 621 70 70 ASN HA H 4.4330 . . 622 70 70 ASN HB2 H 2.6880 . . 623 70 70 ASN HB3 H 2.582 . . 624 70 70 ASN HD21 H 7.7727 . . 625 70 70 ASN C C 175.1500 . . 626 70 70 ASN CA C 54.0900 . . 627 70 70 ASN CB C 38.5200 . . 628 70 70 ASN N N 118.0400 . . 629 70 70 ASN ND2 N 112.7180 . . 630 71 71 LYS H H 7.7894 . . 631 71 71 LYS HA H 4.1360 . . 632 71 71 LYS HB2 H 1.4790 . . 633 71 71 LYS HB3 H 1.4260 . . 634 71 71 LYS HG2 H 1.0790 . . 635 71 71 LYS HG3 H 1.0790 . . 636 71 71 LYS HD2 H 1.5260 . . 637 71 71 LYS HD3 H 1.5260 . . 638 71 71 LYS C C 175.5600 . . 639 71 71 LYS CA C 56.4000 . . 640 71 71 LYS CB C 33.3500 . . 641 71 71 LYS CG C 24.4500 . . 642 71 71 LYS CD C 29.1100 . . 643 71 71 LYS CE C 42.1100 . . 644 71 71 LYS N N 119.1120 . . 645 72 72 TYR H H 7.9103 . . 646 72 72 TYR HA H 4.317 . . 647 72 72 TYR HB2 H 2.795 . . 648 72 72 TYR HB3 H 2.795 . . 649 72 72 TYR HD1 H 7.0322 . . 650 72 72 TYR HD2 H 7.0322 . . 651 72 72 TYR C C 175.4400 . . 652 72 72 TYR CA C 58.1700 . . 653 72 72 TYR CB C 38.3000 . . 654 72 72 TYR CD1 C 133.114 . . 655 72 72 TYR CD2 C 133.114 . . 656 72 72 TYR N N 119.4190 . . 657 73 73 HIS H H 7.3203 . . 658 73 73 HIS C C 173.3300 . . 659 73 73 HIS CA C 56.3900 . . 660 73 73 HIS N N 121.5530 . . 661 77 77 ASN HA H 4.535 . . 662 77 77 ASN HB2 H 2.949 . . 663 77 77 ASN HB3 H 2.820 . . 664 77 77 ASN C C 175.6600 . . 665 77 77 ASN CA C 53.9200 . . 666 77 77 ASN CB C 38.2900 . . 667 78 78 GLY H H 8.4544 . . 668 78 78 GLY HA2 H 4.107 . . 669 78 78 GLY HA3 H 3.731 . . 670 78 78 GLY C C 173.6000 . . 671 78 78 GLY CA C 45.5700 . . 672 78 78 GLY N N 105.4490 . . 673 79 79 ARG H H 7.8657 . . 674 79 79 ARG HA H 4.5180 . . 675 79 79 ARG HB2 H 1.7890 . . 676 79 79 ARG HB3 H 1.7890 . . 677 79 79 ARG HG2 H 1.595 . . 678 79 79 ARG HG3 H 1.595 . . 679 79 79 ARG C C 174.7000 . . 680 79 79 ARG CA C 54.9200 . . 681 79 79 ARG CB C 31.9300 . . 682 79 79 ARG CG C 26.92 . . 683 79 79 ARG CD C 43.21 . . 684 79 79 ARG N N 120.7480 . . 685 80 80 LEU H H 8.4228 . . 686 80 80 LEU HA H 4.357 . . 687 80 80 LEU HB2 H 2.045 . . 688 80 80 LEU HB3 H 2.045 . . 689 80 80 LEU HG H 1.399 . . 690 80 80 LEU HD2 H 0.816 . . 691 80 80 LEU C C 173.9100 . . 692 80 80 LEU CA C 55.5300 . . 693 80 80 LEU CB C 42.3000 . . 694 80 80 LEU CG C 27.24 . . 695 80 80 LEU CD1 C 25.37 . . 696 80 80 LEU CD2 C 23.454 . . 697 80 80 LEU N N 126.4600 . . 698 81 81 ILE HA H 4.835 . . 699 81 81 ILE HB H 2.316 . . 700 81 81 ILE HG12 H 1.619 . . 701 81 81 ILE HG13 H 1.481 . . 702 81 81 ILE HG2 H 0.919 . . 703 81 81 ILE HD1 H 0.762 . . 704 81 81 ILE C C 174.1200 . . 705 81 81 ILE CA C 58.9700 . . 706 81 81 ILE CB C 37.9340 . . 707 81 81 ILE CG1 C 27.90 . . 708 81 81 ILE CG2 C 17.46 . . 709 81 81 ILE CD1 C 11.60 . . 710 82 82 VAL H H 8.7057 . . 711 82 82 VAL HA H 4.3430 . . 712 82 82 VAL HB H 2.024 . . 713 82 82 VAL HG1 H 0.396 . . 714 82 82 VAL HG2 H 0.347 . . 715 82 82 VAL C C 174.1300 . . 716 82 82 VAL CA C 60.2200 . . 717 82 82 VAL CB C 32.0600 . . 718 82 82 VAL CG1 C 19.41 . . 719 82 82 VAL CG2 C 19.26 . . 720 82 82 VAL N N 126.3360 . . 721 83 83 ASN H H 8.9350 . . 722 83 83 ASN HA H 5.4030 . . 723 83 83 ASN HB2 H 2.9840 . . 724 83 83 ASN HB3 H 2.3810 . . 725 83 83 ASN C C 173.38 . . 726 83 83 ASN CA C 53.1500 . . 727 83 83 ASN CB C 43.0800 . . 728 83 83 ASN N N 126.4700 . . 729 84 84 ILE H H 9.4565 . . 730 84 84 ILE HA H 4.7810 . . 731 84 84 ILE HB H 1.9770 . . 732 84 84 ILE HG12 H 1.539 . . 733 84 84 ILE HG13 H 0.944 . . 734 84 84 ILE HG2 H 0.822 . . 735 84 84 ILE HD1 H 0.680 . . 736 84 84 ILE C C 174.6700 . . 737 84 84 ILE CA C 60.0100 . . 738 84 84 ILE CB C 39.7700 . . 739 84 84 ILE CG1 C 26.94 . . 740 84 84 ILE CG2 C 16.85 . . 741 84 84 ILE CD1 C 14.83 . . 742 84 84 ILE N N 126.9020 . . 743 85 85 LYS H H 7.8794 . . 744 85 85 LYS HA H 4.9810 . . 745 85 85 LYS HB2 H 1.858 . . 746 85 85 LYS HG2 H 1.461 . . 747 85 85 LYS HG3 H 1.461 . . 748 85 85 LYS HD2 H 3.014 . . 749 85 85 LYS HD3 H 3.014 . . 750 85 85 LYS C C 176.3600 . . 751 85 85 LYS CA C 56.4800 . . 752 85 85 LYS CB C 33.1900 . . 753 85 85 LYS CG C 25.10 . . 754 85 85 LYS N N 127.1160 . . 755 86 86 ALA H H 8.4198 . . 756 86 86 ALA HA H 4.6020 . . 757 86 86 ALA HB H 1.4280 . . 758 86 86 ALA C C 174.6700 . . 759 86 86 ALA CA C 52.1000 . . 760 86 86 ALA CB C 22.9200 . . 761 86 86 ALA N N 130.2890 . . 762 87 87 SER H H 8.3371 . . 763 87 87 SER HA H 4.6080 . . 764 87 87 SER HB2 H 3.9900 . . 765 87 87 SER HB3 H 3.7710 . . 766 87 87 SER C C 175.9800 . . 767 87 87 SER CA C 56.6900 . . 768 87 87 SER CB C 64.6400 . . 769 87 87 SER N N 113.4880 . . 770 88 88 LYS H H 8.4865 . . 771 88 88 LYS HB2 H 1.436 . . 772 88 88 LYS HB3 H 1.436 . . 773 88 88 LYS HG2 H 1.320 . . 774 88 88 LYS HG3 H 1.320 . . 775 88 88 LYS HD2 H 1.167 . . 776 88 88 LYS HD3 H 1.167 . . 777 88 88 LYS HE2 H 2.994 . . 778 88 88 LYS HE3 H 2.994 . . 779 88 88 LYS C C 177.3000 . . 780 88 88 LYS CA C 57.9900 . . 781 88 88 LYS CB C 32.0000 . . 782 88 88 LYS CG C 24.14 . . 783 88 88 LYS CD C 29.91 . . 784 88 88 LYS CE C 41.98 . . 785 88 88 LYS N N 124.3220 . . 786 89 89 LEU H H 7.6077 . . 787 89 89 LEU HA H 4.0020 . . 788 89 89 LEU HB2 H 1.5220 . . 789 89 89 LEU HB3 H 1.5220 . . 790 89 89 LEU HG H 1.5870 . . 791 89 89 LEU HD1 H 0.8800 . . 792 89 89 LEU HD2 H 0.7960 . . 793 89 89 LEU C C 177.3500 . . 794 89 89 LEU CA C 56.4300 . . 795 89 89 LEU CB C 41.1600 . . 796 89 89 LEU CG C 27.2700 . . 797 89 89 LEU CD1 C 24.8600 . . 798 89 89 LEU CD2 C 23.0600 . . 799 89 89 LEU N N 116.9770 . . 800 90 90 ASN H H 8.1081 . . 801 90 90 ASN HA H 5.1210 . . 802 90 90 ASN HB2 H 3.2090 . . 803 90 90 ASN HB3 H 2.7870 . . 804 90 90 ASN C C 175.4200 . . 805 90 90 ASN CA C 52.8000 . . 806 90 90 ASN CB C 40.5800 . . 807 90 90 ASN N N 114.6620 . . 808 91 91 PHE H H 7.4010 . . 809 91 91 PHE HA H 4.259 . . 810 91 91 PHE HB2 H 3.351 . . 811 91 91 PHE HB3 H 3.351 . . 812 91 91 PHE C C 176.7300 . . 813 91 91 PHE CA C 58.7600 . . 814 91 91 PHE CB C 38.4400 . . 815 91 91 PHE N N 118.4260 . . 816 92 92 VAL H H 8.4087 . . 817 92 92 VAL HA H 3.0990 . . 818 92 92 VAL HB H 1.9060 . . 819 92 92 VAL HG1 H 0.8690 . . 820 92 92 VAL HG2 H 0.7440 . . 821 92 92 VAL C C 176.7700 . . 822 92 92 VAL CA C 67.6400 . . 823 92 92 VAL CB C 31.0100 . . 824 92 92 VAL CG1 C 23.6600 . . 825 92 92 VAL CG2 C 21.2800 . . 826 92 92 VAL N N 117.1410 . . 827 93 93 ASP H H 8.0650 . . 828 93 93 ASP HA H 4.2710 . . 829 93 93 ASP HB2 H 2.7590 . . 830 93 93 ASP HB3 H 2.6180 . . 831 93 93 ASP CA C 57.6500 . . 832 93 93 ASP CB C 42.3300 . . 833 93 93 ASP N N 119.0100 . . 834 94 94 ILE H H 8.2005 . . 835 94 94 ILE HA H 3.5340 . . 836 94 94 ILE HB H 1.910 . . 837 94 94 ILE HG12 H 1.917 . . 838 94 94 ILE HG13 H 0.968 . . 839 94 94 ILE HG2 H 0.690 . . 840 94 94 ILE HD1 H 0.892 . . 841 94 94 ILE C C 178.2700 . . 842 94 94 ILE CA C 65.3800 . . 843 94 94 ILE CB C 37.8100 . . 844 94 94 ILE CG1 C 29.82 . . 845 94 94 ILE CG2 C 16.87 . . 846 94 94 ILE CD1 C 15.22 . . 847 94 94 ILE N N 117.5500 . . 848 95 95 ILE H H 8.1370 . . 849 95 95 ILE HA H 3.2360 . . 850 95 95 ILE HB H 1.2650 . . 851 95 95 ILE HG12 H 1.201 . . 852 95 95 ILE HG13 H -0.482 . . 853 95 95 ILE HG2 H 0.260 . . 854 95 95 ILE HD1 H -0.553 . . 855 95 95 ILE C C 178.2000 . . 856 95 95 ILE CA C 66.2900 . . 857 95 95 ILE CB C 38.1900 . . 858 95 95 ILE CG1 C 29.89 . . 859 95 95 ILE CG2 C 16.85 . . 860 95 95 ILE CD1 C 13.93 . . 861 95 95 ILE N N 121.4000 . . 862 96 96 GLU H H 8.6635 . . 863 96 96 GLU HA H 4.0350 . . 864 96 96 GLU HB2 H 1.9910 . . 865 96 96 GLU HB3 H 1.8280 . . 866 96 96 GLU HG2 H 2.004 . . 867 96 96 GLU HG3 H 2.004 . . 868 96 96 GLU C C 178.7000 . . 869 96 96 GLU CA C 59.6900 . . 870 96 96 GLU CB C 30.6900 . . 871 96 96 GLU CG C 37.0800 . . 872 96 96 GLU N N 115.7860 . . 873 97 97 ASN H H 8.2883 . . 874 97 97 ASN HA H 5.1800 . . 875 97 97 ASN HB2 H 2.8560 . . 876 97 97 ASN HB3 H 2.7830 . . 877 97 97 ASN C C 176.4400 . . 878 97 97 ASN CA C 54.8600 . . 879 97 97 ASN CB C 42.2200 . . 880 97 97 ASN N N 111.4090 . . 881 98 98 LYS H H 8.2934 . . 882 98 98 LYS HA H 4.8142 . . 883 98 98 LYS HB2 H 2.101 . . 884 98 98 LYS C C 177.0100 . . 885 98 98 LYS CA C 56.0500 . . 886 98 98 LYS CB C 35.2500 . . 887 98 98 LYS N N 117.7530 . . 888 99 99 LEU HA H 3.9180 . . 889 99 99 LEU HB2 H 1.9650 . . 890 99 99 LEU HB3 H 1.7330 . . 891 99 99 LEU HG H 1.205 . . 892 99 99 LEU HD1 H 0.986 . . 893 99 99 LEU HD2 H 0.986 . . 894 99 99 LEU C C 178.1700 . . 895 99 99 LEU CA C 57.6500 . . 896 99 99 LEU CB C 42.8500 . . 897 99 99 LEU CG C 26.88 . . 898 99 99 LEU CD1 C 25.06 . . 899 100 100 ASP H H 8.6391 . . 900 100 100 ASP HA H 4.2420 . . 901 100 100 ASP HB2 H 2.675 . . 902 100 100 ASP HB3 H 2.603 . . 903 100 100 ASP C C 178.6300 . . 904 100 100 ASP CA C 57.9100 . . 905 100 100 ASP CB C 39.6400 . . 906 100 100 ASP N N 118.6590 . . 907 101 101 LYS H H 7.7306 . . 908 101 101 LYS HA H 4.0690 . . 909 101 101 LYS HB2 H 1.8230 . . 910 101 101 LYS HB3 H 1.7030 . . 911 101 101 LYS HG2 H 1.463 . . 912 101 101 LYS HG3 H 1.415 . . 913 101 101 LYS HD2 H 1.546 . . 914 101 101 LYS HD3 H 1.546 . . 915 101 101 LYS HE2 H 3.012 . . 916 101 101 LYS HE3 H 3.012 . . 917 101 101 LYS C C 178.7000 . . 918 101 101 LYS CA C 58.2310 . . 919 101 101 LYS CB C 32.5500 . . 920 101 101 LYS CG C 24.95 . . 921 101 101 LYS CD C 29.12 . . 922 101 101 LYS CE C 42.24 . . 923 101 101 LYS N N 117.4340 . . 924 102 102 ILE H H 7.2800 . . 925 102 102 ILE HA H 3.451 . . 926 102 102 ILE HB H 1.978 . . 927 102 102 ILE HG12 H 1.736 . . 928 102 102 ILE HG13 H 0.531 . . 929 102 102 ILE HG2 H 0.591 . . 930 102 102 ILE HD1 H 0.693 . . 931 102 102 ILE C C 177.1400 . . 932 102 102 ILE CA C 65.4900 . . 933 102 102 ILE CB C 38.7500 . . 934 102 102 ILE CG1 C 28.78 . . 935 102 102 ILE CG2 C 15.84 . . 936 102 102 ILE CD1 C 14.20 . . 937 102 102 ILE N N 119.0350 . . 938 103 103 ILE HA H 3.3330 . . 939 103 103 ILE HB H 1.7680 . . 940 103 103 ILE HG12 H 1.427 . . 941 103 103 ILE HG13 H 0.976 . . 942 103 103 ILE HG2 H 0.830 . . 943 103 103 ILE HD1 H 0.663 . . 944 103 103 ILE C C 176.7700 . . 945 103 103 ILE CA C 65.2200 . . 946 103 103 ILE CB C 37.6900 . . 947 103 103 ILE CG1 C 29.46 . . 948 103 103 ILE CG2 C 17.09 . . 949 103 103 ILE CD1 C 13.11 . . 950 104 104 GLU H H 7.8472 . . 951 104 104 GLU HA H 3.9770 . . 952 104 104 GLU HB2 H 2.1040 . . 953 104 104 GLU HB3 H 1.9460 . . 954 104 104 GLU HG2 H 2.3330 . . 955 104 104 GLU HG3 H 2.1910 . . 956 104 104 GLU C C 178.6800 . . 957 104 104 GLU CA C 59.0600 . . 958 104 104 GLU CB C 29.7400 . . 959 104 104 GLU CG C 36.2000 . . 960 104 104 GLU N N 116.6410 . . 961 105 105 LYS H H 6.8598 . . 962 105 105 LYS HA H 4.028 . . 963 105 105 LYS HB2 H 1.778 . . 964 105 105 LYS HB3 H 1.616 . . 965 105 105 LYS HG2 H 1.309 . . 966 105 105 LYS HG3 H 1.309 . . 967 105 105 LYS C C 179.1000 . . 968 105 105 LYS CA C 59.56 . . 969 105 105 LYS CB C 33.2400 . . 970 105 105 LYS CG C 26.17 . . 971 105 105 LYS CD C 29.68 . . 972 105 105 LYS CE C 42.25 . . 973 105 105 LYS N N 114.8970 . . 974 106 106 ILE H H 7.8226 . . 975 106 106 ILE HA H 3.5550 . . 976 106 106 ILE HB H 1.6400 . . 977 106 106 ILE HG12 H 1.2890 . . 978 106 106 ILE HG13 H 1.0790 . . 979 106 106 ILE HG2 H 0.4220 . . 980 106 106 ILE HD1 H 0.2380 . . 981 106 106 ILE C C 177.8000 . . 982 106 106 ILE CA C 64.0500 . . 983 106 106 ILE CB C 37.3900 . . 984 106 106 ILE CG1 C 27.3600 . . 985 106 106 ILE CG2 C 17.6200 . . 986 106 106 ILE CD1 C 13.5100 . . 987 106 106 ILE N N 117.7810 . . 988 107 107 ASP H H 8.4661 . . 989 107 107 ASP HA H 4.6290 . . 990 107 107 ASP HB2 H 2.7090 . . 991 107 107 ASP HB3 H 2.7090 . . 992 107 107 ASP C C 177.8000 . . 993 107 107 ASP CA C 56.3100 . . 994 107 107 ASP CB C 40.1610 . . 995 107 107 ASP N N 118.0840 . . 996 108 108 LYS H H 7.0542 . . 997 108 108 LYS HA H 4.3560 . . 998 108 108 LYS HB2 H 2.0310 . . 999 108 108 LYS HB3 H 1.8230 . . 1000 108 108 LYS HG2 H 1.6920 . . 1001 108 108 LYS HG3 H 1.6920 . . 1002 108 108 LYS HD2 H 1.6930 . . 1003 108 108 LYS HD3 H 1.6930 . . 1004 108 108 LYS C C 177.4300 . . 1005 108 108 LYS CA C 56.4300 . . 1006 108 108 LYS CB C 33.1400 . . 1007 108 108 LYS CG C 24.8700 . . 1008 108 108 LYS CD C 29.0700 . . 1009 108 108 LYS CE C 42.1900 . . 1010 108 108 LYS N N 116.3950 . . 1011 109 109 LEU H H 7.6066 . . 1012 109 109 LEU HA H 4.3280 . . 1013 109 109 LEU HB2 H 2.0160 . . 1014 109 109 LEU HB3 H 1.3080 . . 1015 109 109 LEU HG H 0.7760 . . 1016 109 109 LEU HD1 H 0.5790 . . 1017 109 109 LEU HD2 H 0.5790 . . 1018 109 109 LEU C C 177.0200 . . 1019 109 109 LEU CA C 54.6500 . . 1020 109 109 LEU CB C 43.5100 . . 1021 109 109 LEU CG C 21.3900 . . 1022 109 109 LEU CD1 C 26.1700 . . 1023 109 109 LEU N N 119.5080 . . 1024 110 110 ASP H H 8.5613 . . 1025 110 110 ASP HA H 4.8480 . . 1026 110 110 ASP HB2 H 2.9270 . . 1027 110 110 ASP HB3 H 2.6360 . . 1028 110 110 ASP C C 176.3400 . . 1029 110 110 ASP CA C 52.7800 . . 1030 110 110 ASP CB C 39.1000 . . 1031 110 110 ASP N N 119.9600 . . 1032 111 111 LEU H H 7.8825 . . 1033 111 111 LEU HA H 4.0250 . . 1034 111 111 LEU HB2 H 1.5900 . . 1035 111 111 LEU HB3 H 1.5900 . . 1036 111 111 LEU HG H 1.059 . . 1037 111 111 LEU HD1 H 0.806 . . 1038 111 111 LEU HD2 H 0.806 . . 1039 111 111 LEU C C 178.3300 . . 1040 111 111 LEU CA C 58.2500 . . 1041 111 111 LEU CB C 41.5600 . . 1042 111 111 LEU CG C 26.44 . . 1043 111 111 LEU CD1 C 22.85 . . 1044 111 111 LEU N N 122.5200 . . 1045 112 112 ASP H H 8.1015 . . 1046 112 112 ASP HA H 4.511 . . 1047 112 112 ASP HB2 H 2.714 . . 1048 112 112 ASP HB3 H 2.714 . . 1049 112 112 ASP C C 177.0000 . . 1050 112 112 ASP CA C 56.3100 . . 1051 112 112 ASP CB C 41.2000 . . 1052 112 112 ASP N N 115.9140 . . 1053 113 113 LYS H H 7.6519 . . 1054 113 113 LYS HA H 4.0960 . . 1055 113 113 LYS HB2 H 1.2700 . . 1056 113 113 LYS HB3 H 0.9990 . . 1057 113 113 LYS HD2 H 1.6900 . . 1058 113 113 LYS HD3 H 1.6900 . . 1059 113 113 LYS C C 178.0700 . . 1060 113 113 LYS CA C 57.4500 . . 1061 113 113 LYS CB C 32.9600 . . 1062 113 113 LYS CG C 25.2600 . . 1063 113 113 LYS CD C 29.5500 . . 1064 113 113 LYS CE C 42.3400 . . 1065 113 113 LYS N N 114.6360 . . 1066 114 114 TYR H H 7.4826 . . 1067 114 114 TYR HA H 5.1490 . . 1068 114 114 TYR HB2 H 3.048 . . 1069 114 114 TYR HB3 H 2.573 . . 1070 114 114 TYR HD1 H 6.571 . . 1071 114 114 TYR HD2 H 6.571 . . 1072 114 114 TYR HE1 H 6.2618 . . 1073 114 114 TYR HE2 H 6.2618 . . 1074 114 114 TYR C C 173.5700 . . 1075 114 114 TYR CA C 58.0500 . . 1076 114 114 TYR CB C 40.7100 . . 1077 114 114 TYR CD1 C 132.279 . . 1078 114 114 TYR CD2 C 132.279 . . 1079 114 114 TYR CE1 C 119.332 . . 1080 114 114 TYR CE2 C 119.332 . . 1081 114 114 TYR N N 116.7240 . . 1082 115 115 ARG H H 9.0342 . . 1083 115 115 ARG HA H 4.9030 . . 1084 115 115 ARG HB2 H 2.271 . . 1085 115 115 ARG HB3 H 2.271 . . 1086 115 115 ARG HG2 H 1.742 . . 1087 115 115 ARG HG3 H 1.742 . . 1088 115 115 ARG C C 174.9500 . . 1089 115 115 ARG CA C 54.7000 . . 1090 115 115 ARG CB C 31.4700 . . 1091 115 115 ARG CG C 25.6300 . . 1092 115 115 ARG N N 114.2750 . . 1093 116 116 PHE H H 7.4029 . . 1094 116 116 PHE HA H 4.9670 . . 1095 116 116 PHE HB2 H 3.706 . . 1096 116 116 PHE HB3 H 3.706 . . 1097 116 116 PHE C C 172.5200 . . 1098 116 116 PHE CA C 58.5600 . . 1099 116 116 PHE CB C 41.9300 . . 1100 116 116 PHE N N 120.6190 . . 1101 117 117 ILE H H 7.9391 . . 1102 117 117 ILE HA H 4.807 . . 1103 117 117 ILE HB H 1.522 . . 1104 117 117 ILE HG12 H 1.351 . . 1105 117 117 ILE HG13 H 0.784 . . 1106 117 117 ILE HG2 H 0.511 . . 1107 117 117 ILE HD1 H 0.437 . . 1108 117 117 ILE C C 171.6900 . . 1109 117 117 ILE CA C 60.3900 . . 1110 117 117 ILE CB C 40.9400 . . 1111 117 117 ILE CG1 C 27.26 . . 1112 117 117 ILE CG2 C 17.30 . . 1113 117 117 ILE CD1 C 13.25 . . 1114 117 117 ILE N N 129.2730 . . 1115 118 118 ASN H H 9.3477 . . 1116 118 118 ASN HA H 5.426 . . 1117 118 118 ASN HB2 H 3.097 . . 1118 118 118 ASN HB3 H 2.444 . . 1119 118 118 ASN CA C 51.1100 . . 1120 118 118 ASN CB C 42.1500 . . 1121 118 118 ASN N N 124.0300 . . 1122 119 119 ALA H H 9.7870 . . 1123 119 119 ALA HA H 5.0620 . . 1124 119 119 ALA HB H 1.3730 . . 1125 119 119 ALA C C 176.6000 . . 1126 119 119 ALA CA C 50.9900 . . 1127 119 119 ALA CB C 18.9100 . . 1128 119 119 ALA N N 133.6 . . 1129 120 120 THR H H 8.4600 . . 1130 120 120 THR HA H 4.348 . . 1131 120 120 THR HB H 4.496 . . 1132 120 120 THR HG2 H 1.285 . . 1133 120 120 THR C C 173.3600 . . 1134 120 120 THR CA C 63.3700 . . 1135 120 120 THR CB C 69.3900 . . 1136 120 120 THR CG2 C 22.54 . . 1137 120 120 THR N N 117.5500 . . 1138 121 121 ASN H H 9.9495 . . 1139 121 121 ASN HA H 4.9828 . . 1140 121 121 ASN HB2 H 3.043 . . 1141 121 121 ASN HB3 H 2.576 . . 1142 121 121 ASN C C 173.4400 . . 1143 121 121 ASN CA C 51.999 . . 1144 121 121 ASN CB C 38.33 . . 1145 121 121 ASN N N 126.7560 . . 1146 122 122 LEU H H 9.2541 . . 1147 122 122 LEU HA H 3.449 . . 1148 122 122 LEU HB2 H 2.206 . . 1149 122 122 LEU HB3 H 1.322 . . 1150 122 122 LEU HG H 1.024 . . 1151 122 122 LEU HD1 H 0.838 . . 1152 122 122 LEU HD2 H 1.807 . . 1153 122 122 LEU C C 175.5000 . . 1154 122 122 LEU CA C 56.8600 . . 1155 122 122 LEU CB C 39.2960 . . 1156 122 122 LEU CG C 26.45 . . 1157 122 122 LEU CD1 C 22.74 . . 1158 122 122 LEU CD2 C 27.05 . . 1159 122 122 LEU N N 118.9320 . . 1160 123 123 GLU C C 174.1800 . . 1161 123 123 GLU CA C 57.4900 . . 1162 123 123 GLU CB C 28.2300 . . 1163 124 124 HIS H H 8.0163 . . 1164 124 124 HIS HA H 4.558 . . 1165 124 124 HIS HB2 H 3.316 . . 1166 124 124 HIS HB3 H 3.084 . . 1167 124 124 HIS HD1 H 10.138 . . 1168 124 124 HIS C C 174.2800 . . 1169 124 124 HIS CA C 55.5800 . . 1170 124 124 HIS CB C 30.4300 . . 1171 124 124 HIS N N 121.2530 . . 1172 125 125 ASP H H 9.200 . . 1173 125 125 ASP HA H 4.076 . . 1174 125 125 ASP HB2 H 2.705 . . 1175 125 125 ASP HB3 H 2.431 . . 1176 125 125 ASP C C 175.6700 . . 1177 125 125 ASP CA C 55.1200 . . 1178 125 125 ASP CB C 38.7100 . . 1179 125 125 ASP N N 127.036 . . 1180 126 126 ILE H H 8.6303 . . 1181 126 126 ILE HA H 3.731 . . 1182 126 126 ILE HB H 1.514 . . 1183 126 126 ILE HG12 H 0.457 . . 1184 126 126 ILE HG13 H 0.418 . . 1185 126 126 ILE HG2 H 0.915 . . 1186 126 126 ILE HD1 H 0.675 . . 1187 126 126 ILE C C 175.6700 . . 1188 126 126 ILE CA C 63.6900 . . 1189 126 126 ILE CB C 38.3900 . . 1190 126 126 ILE CG1 C 17.99 . . 1191 126 126 ILE CG2 C 27.40 . . 1192 126 126 ILE CD1 C 15.34 . . 1193 126 126 ILE N N 122.9430 . . 1194 127 127 LYS H H 8.0155 . . 1195 127 127 LYS HA H 4.522 . . 1196 127 127 LYS HG2 H 1.308 . . 1197 127 127 LYS HG3 H 1.308 . . 1198 127 127 LYS HD2 H 1.817 . . 1199 127 127 LYS HD3 H 1.817 . . 1200 127 127 LYS C C 174.7100 . . 1201 127 127 LYS CA C 56.2500 . . 1202 127 127 LYS CB C 34.5100 . . 1203 127 127 LYS CG C 26.13 . . 1204 127 127 LYS CE C 41.15 . . 1205 127 127 LYS N N 125.6300 . . 1206 128 128 CYS H H 8.7664 . . 1207 128 128 CYS HA H 4.4920 . . 1208 128 128 CYS HB2 H 1.1160 . . 1209 128 128 CYS HB3 H 1.1160 . . 1210 128 128 CYS C C 174.0000 . . 1211 128 128 CYS CA C 56.3720 . . 1212 128 128 CYS CB C 27.9200 . . 1213 128 128 CYS N N 122.3160 . . 1214 129 129 TYR H H 9.0010 . . 1215 129 129 TYR C C 177.0100 . . 1216 129 129 TYR CA C 59.1700 . . 1217 129 129 TYR CB C 38.4100 . . 1218 129 129 TYR N N 122.4130 . . 1219 130 130 TYR H H 8.3641 . . 1220 130 130 TYR HA H 4.6690 . . 1221 130 130 TYR HB2 H 3.477 . . 1222 130 130 TYR HB3 H 2.686 . . 1223 130 130 TYR HD1 H 6.9790 . . 1224 130 130 TYR HD2 H 6.9790 . . 1225 130 130 TYR HE1 H 6.741 . . 1226 130 130 TYR HE2 H 6.741 . . 1227 130 130 TYR C C 177.8700 . . 1228 130 130 TYR CA C 60.0200 . . 1229 130 130 TYR CB C 40.0200 . . 1230 130 130 TYR CD1 C 132.35 . . 1231 130 130 TYR CD2 C 132.35 . . 1232 130 130 TYR CE1 C 118.545 . . 1233 130 130 TYR CE2 C 118.545 . . 1234 130 130 TYR N N 124.8710 . . 1235 131 131 LYS H H 8.6898 . . 1236 131 131 LYS HA H 4.228 . . 1237 131 131 LYS HB2 H 1.860 . . 1238 131 131 LYS HB3 H 1.860 . . 1239 131 131 LYS HG2 H 1.247 . . 1240 131 131 LYS HG3 H 1.247 . . 1241 131 131 LYS HD2 H 1.473 . . 1242 131 131 LYS HD3 H 1.473 . . 1243 131 131 LYS C C 177.2100 . . 1244 131 131 LYS CA C 58.2100 . . 1245 131 131 LYS CB C 33.9200 . . 1246 131 131 LYS CG C 26.09 . . 1247 131 131 LYS CE C 42.33 . . 1248 131 131 LYS N N 122.3120 . . 1249 132 132 GLY H H 9.2410 . . 1250 132 132 GLY HA2 H 4.030 . . 1251 132 132 GLY HA3 H 3.611 . . 1252 132 132 GLY C C 172.8300 . . 1253 132 132 GLY CA C 45.4500 . . 1254 132 132 GLY N N 110.7570 . . 1255 133 133 PHE H H 7.5610 . . 1256 133 133 PHE HA H 5.0118 . . 1257 133 133 PHE HB2 H 3.014 . . 1258 133 133 PHE HD1 H 7.457 . . 1259 133 133 PHE HD2 H 7.457 . . 1260 133 133 PHE C C 174.80 . . 1261 133 133 PHE CA C 56.6900 . . 1262 133 133 PHE CB C 44.1900 . . 1263 133 133 PHE CD1 C 132.9609 . . 1264 133 133 PHE CD2 C 132.9609 . . 1265 133 133 PHE N N 115.8470 . . 1266 135 135 THR HA H 4.7760 . . 1267 135 135 THR HB H 4.611 . . 1268 135 135 THR HG2 H 1.275 . . 1269 135 135 THR C C 174.6700 . . 1270 135 135 THR CA C 61.0600 . . 1271 135 135 THR CB C 70.6500 . . 1272 135 135 THR CG2 C 22.005 . . 1273 136 136 LYS H H 7.1588 . . 1274 136 136 LYS HA H 4.473 . . 1275 136 136 LYS HB2 H 1.642 . . 1276 136 136 LYS HB3 H 1.451 . . 1277 136 136 LYS HG2 H 1.036 . . 1278 136 136 LYS HG3 H 1.036 . . 1279 136 136 LYS HD2 H 1.306 . . 1280 136 136 LYS HD3 H 1.306 . . 1281 136 136 LYS C C 176.5200 . . 1282 136 136 LYS CA C 57.7600 . . 1283 136 136 LYS CB C 34.1200 . . 1284 136 136 LYS CG C 25.22 . . 1285 136 136 LYS CE C 42.18 . . 1286 136 136 LYS N N 123.9930 . . 1287 137 137 LYS H H 9.1677 . . 1288 137 137 LYS HA H 5.405 . . 1289 137 137 LYS HB2 H 1.215 . . 1290 137 137 LYS HB3 H 0.880 . . 1291 137 137 LYS HG2 H 1.384 . . 1292 137 137 LYS HG3 H 1.384 . . 1293 137 137 LYS HD2 H 1.208 . . 1294 137 137 LYS HD3 H 1.208 . . 1295 137 137 LYS HE2 H 2.848 . . 1296 137 137 LYS HE3 H 2.848 . . 1297 137 137 LYS C C 174.0300 . . 1298 137 137 LYS CA C 54.7000 . . 1299 137 137 LYS CB C 35.5900 . . 1300 137 137 LYS CG C 22.62 . . 1301 137 137 LYS CE C 42.18 . . 1302 137 137 LYS N N 126.7270 . . 1303 138 138 GLU H H 8.6568 . . 1304 138 138 GLU HA H 4.7335 . . 1305 138 138 GLU HB2 H 1.972 . . 1306 138 138 GLU HB3 H 1.972 . . 1307 138 138 GLU HG2 H 2.315 . . 1308 138 138 GLU HG3 H 2.315 . . 1309 138 138 GLU C C 174.3400 . . 1310 138 138 GLU CA C 54.5670 . . 1311 138 138 GLU CB C 33.0000 . . 1312 138 138 GLU CG C 35.46 . . 1313 138 138 GLU N N 119.9140 . . 1314 139 139 VAL H H 8.5996 . . 1315 139 139 VAL HA H 4.953 . . 1316 139 139 VAL HB H 1.894 . . 1317 139 139 VAL HG1 H 0.797 . . 1318 139 139 VAL HG2 H 0.724 . . 1319 139 139 VAL C C 175.8800 . . 1320 139 139 VAL CA C 61.6800 . . 1321 139 139 VAL CB C 32.8900 . . 1322 139 139 VAL CG1 C 21.27 . . 1323 139 139 VAL N N 124.9290 . . 1324 140 140 ILE H H 8.7103 . . 1325 140 140 ILE HA H 4.485 . . 1326 140 140 ILE HB H 1.915 . . 1327 140 140 ILE HG12 H 1.262 . . 1328 140 140 ILE HG13 H 0.852 . . 1329 140 140 ILE HG2 H 0.755 . . 1330 140 140 ILE HD1 H 0.635 . . 1331 140 140 ILE C C 180.4300 . . 1332 140 140 ILE CA C 61.7800 . . 1333 140 140 ILE CB C 40.6300 . . 1334 140 140 ILE CG1 C 27.34 . . 1335 140 140 ILE CG2 C 17.78 . . 1336 140 140 ILE CD1 C 14.42 . . 1337 140 140 ILE N N 128.9840 . . stop_ save_