data_25545 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Complex structure of MyUb (1080-1122) of human Myosin VI with K63-diUb ; _BMRB_accession_number 25545 _BMRB_flat_file_name bmr25545.str _Entry_type original _Submission_date 2015-03-20 _Accession_date 2015-03-20 _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 He Fahu . . 2 Walters Kylie . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 945 "13C chemical shifts" 698 "15N chemical shifts" 156 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-08-25 update BMRB 'update entry citation' 2016-03-07 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25541 'MyUb (1080-1122) of human Myosin VI' 25542 'MyUb (1080-1131) of human Myosin VI' 25543 'human Myosin VI isoform3 (998-1071)' 25544 'human Myosin VI isoform3 (1050-1131)' stop_ _Original_release_date 2016-03-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Myosin VI Contains a Compact Structural Motif that Binds to Ubiquitin Chains ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26971995 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 He Fahu . . 2 Wollscheid Hans-Peter . . 3 Nowicka Urszula . . 4 Biancospino Matteo . . 5 Valentini Eleonora . . 6 Ehlinger Aaron . . 7 Acconcia Filippo . . 8 Magistrati Elisa . . 9 Polo Simona . . 10 Walters Kylie J. . stop_ _Journal_abbreviation 'Cell Rep.' _Journal_volume 14 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2683 _Page_last 2694 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MyUb (1080-1122) of human Myosin VI with K63-diUb' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'entity_1, 1' $entity_1 entity_2 $entity_2 entity_3 $entity_3 'entity_1, 2' $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 entity_1 _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 43 _Mol_residue_sequence ; GTKKYDLSKWKYAELRDTIN TSCDIELLAACREEFHRRLK VYH ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 THR 3 LYS 4 LYS 5 TYR 6 ASP 7 LEU 8 SER 9 LYS 10 TRP 11 LYS 12 TYR 13 ALA 14 GLU 15 LEU 16 ARG 17 ASP 18 THR 19 ILE 20 ASN 21 THR 22 SER 23 CYS 24 ASP 25 ILE 26 GLU 27 LEU 28 LEU 29 ALA 30 ALA 31 CYS 32 ARG 33 GLU 34 GLU 35 PHE 36 HIS 37 ARG 38 ARG 39 LEU 40 LYS 41 VAL 42 TYR 43 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass . _Mol_thiol_state . _Details . _Residue_count 76 _Mol_residue_sequence ; MQIFVKTLTGKTITLEVEPS DTIENVKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQRESTLHLVLRLRGG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 101 MET 2 102 GLN 3 103 ILE 4 104 PHE 5 105 VAL 6 106 LYS 7 107 THR 8 108 LEU 9 109 THR 10 110 GLY 11 111 LYS 12 112 THR 13 113 ILE 14 114 THR 15 115 LEU 16 116 GLU 17 117 VAL 18 118 GLU 19 119 PRO 20 120 SER 21 121 ASP 22 122 THR 23 123 ILE 24 124 GLU 25 125 ASN 26 126 VAL 27 127 LYS 28 128 ALA 29 129 LYS 30 130 ILE 31 131 GLN 32 132 ASP 33 133 LYS 34 134 GLU 35 135 GLY 36 136 ILE 37 137 PRO 38 138 PRO 39 139 ASP 40 140 GLN 41 141 GLN 42 142 ARG 43 143 LEU 44 144 ILE 45 145 PHE 46 146 ALA 47 147 GLY 48 148 LYS 49 149 GLN 50 150 LEU 51 151 GLU 52 152 ASP 53 153 GLY 54 154 ARG 55 155 THR 56 156 LEU 57 157 SER 58 158 ASP 59 159 TYR 60 160 ASN 61 161 ILE 62 162 GLN 63 163 ARG 64 164 GLU 65 165 SER 66 166 THR 67 167 LEU 68 168 HIS 69 169 LEU 70 170 VAL 71 171 LEU 72 172 ARG 73 173 LEU 74 174 ARG 75 175 GLY 76 176 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_3 _Molecular_mass . _Mol_thiol_state . _Details . _Residue_count 76 _Mol_residue_sequence ; MQIFVKTLTGKTITLEVEPS DTIENVKAKIQDKEGIPPDQ QRLIFAGKQLEDGRTLSDYN IQKESTLHLVLRLRGC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 201 MET 2 202 GLN 3 203 ILE 4 204 PHE 5 205 VAL 6 206 LYS 7 207 THR 8 208 LEU 9 209 THR 10 210 GLY 11 211 LYS 12 212 THR 13 213 ILE 14 214 THR 15 215 LEU 16 216 GLU 17 217 VAL 18 218 GLU 19 219 PRO 20 220 SER 21 221 ASP 22 222 THR 23 223 ILE 24 224 GLU 25 225 ASN 26 226 VAL 27 227 LYS 28 228 ALA 29 229 LYS 30 230 ILE 31 231 GLN 32 232 ASP 33 233 LYS 34 234 GLU 35 235 GLY 36 236 ILE 37 237 PRO 38 238 PRO 39 239 ASP 40 240 GLN 41 241 GLN 42 242 ARG 43 243 LEU 44 244 ILE 45 245 PHE 46 246 ALA 47 247 GLY 48 248 LYS 49 249 GLN 50 250 LEU 51 251 GLU 52 252 ASP 53 253 GLY 54 254 ARG 55 255 THR 56 256 LEU 57 257 SER 58 258 ASP 59 259 TYR 60 260 ASN 61 261 ILE 62 262 GLN 63 263 LYS 64 264 GLU 65 265 SER 66 266 THR 67 267 LEU 68 268 HIS 69 269 LEU 70 270 VAL 71 271 LEU 72 272 ARG 73 273 LEU 74 274 ARG 75 275 GLY 76 276 CYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens $entity_2 Human 9606 Eukaryota Metazoa Homo sapiens $entity_3 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli . pGEX6p $entity_2 'recombinant technology' . Escherichia coli . pGEX6p $entity_3 'recombinant technology' . Escherichia coli . pGEX6p stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-13C; U-15N]' $entity_2 0.5 mM '[U-13C; U-15N]' $entity_3 0.5 mM '[U-13C; U-15N]' 'sodium phosphate' 20 mM 'natural abundance' NaCl 50 mM 'natural abundance' DTT 2 mM 'natural abundance' NaN3 0.1 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version . loop_ _Vendor _Address _Electronic_address 'Naohiro Kobayashi' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . 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 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_half-filter_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D half-filter NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '20mM sodium phosphate buffer (pH 6.5), 50 mM NaCl, 2mM DTT, 0.1% NaN3.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 283 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D half-filter NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_2 _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 1 101 1 MET HA H 4.165 0.030 1 2 101 1 MET HB2 H 1.978 0.030 2 3 101 1 MET HB3 H 2.032 0.030 2 4 101 1 MET HG2 H 1.847 0.030 2 5 101 1 MET HG3 H 2.512 0.030 2 6 101 1 MET HE H 1.562 0.030 1 7 101 1 MET C C 173.036 0.300 1 8 101 1 MET CA C 54.380 0.300 1 9 101 1 MET CB C 32.926 0.300 1 10 101 1 MET CG C 30.768 0.300 1 11 101 1 MET CE C 17.807 0.300 1 12 102 2 GLN H H 8.953 0.030 1 13 102 2 GLN HA H 5.259 0.030 1 14 102 2 GLN HB2 H 1.784 0.030 2 15 102 2 GLN HB3 H 1.530 0.030 2 16 102 2 GLN HG2 H 2.013 0.030 2 17 102 2 GLN HG3 H 2.188 0.030 2 18 102 2 GLN HE21 H 6.663 0.030 2 19 102 2 GLN HE22 H 7.724 0.030 2 20 102 2 GLN C C 175.900 0.300 1 21 102 2 GLN CA C 54.978 0.300 1 22 102 2 GLN CB C 30.529 0.300 1 23 102 2 GLN CG C 35.267 0.300 1 24 102 2 GLN N N 123.028 0.300 1 25 102 2 GLN NE2 N 112.113 0.300 1 26 103 3 ILE H H 8.320 0.030 1 27 103 3 ILE HA H 4.075 0.030 1 28 103 3 ILE HB H 1.696 0.030 1 29 103 3 ILE HG12 H 0.803 0.030 2 30 103 3 ILE HG13 H 1.031 0.030 2 31 103 3 ILE HG2 H 0.550 0.030 1 32 103 3 ILE HD1 H 0.521 0.030 1 33 103 3 ILE C C 172.320 0.300 1 34 103 3 ILE CA C 59.623 0.300 1 35 103 3 ILE CB C 42.061 0.300 1 36 103 3 ILE CG1 C 25.032 0.300 1 37 103 3 ILE CG2 C 17.694 0.300 1 38 103 3 ILE CD1 C 14.193 0.300 1 39 103 3 ILE N N 115.245 0.300 1 40 104 4 PHE H H 8.610 0.030 1 41 104 4 PHE HA H 5.603 0.030 1 42 104 4 PHE HB2 H 2.808 0.030 2 43 104 4 PHE HB3 H 2.967 0.030 2 44 104 4 PHE HD1 H 7.040 0.030 1 45 104 4 PHE HD2 H 7.040 0.030 1 46 104 4 PHE HE1 H 7.211 0.030 1 47 104 4 PHE HE2 H 7.211 0.030 1 48 104 4 PHE HZ H 7.207 0.030 1 49 104 4 PHE C C 175.085 0.300 1 50 104 4 PHE CA C 55.022 0.300 1 51 104 4 PHE CB C 41.194 0.300 1 52 104 4 PHE CD1 C 132.045 0.300 1 53 104 4 PHE CD2 C 132.045 0.300 1 54 104 4 PHE CE1 C 131.029 0.300 1 55 104 4 PHE CE2 C 131.029 0.300 1 56 104 4 PHE CZ C 129.436 0.300 1 57 104 4 PHE N N 118.750 0.300 1 58 105 5 VAL H H 9.300 0.030 1 59 105 5 VAL HA H 4.741 0.030 1 60 105 5 VAL HB H 1.860 0.030 1 61 105 5 VAL HG1 H 0.610 0.030 2 62 105 5 VAL HG2 H 0.655 0.030 2 63 105 5 VAL C C 174.760 0.300 1 64 105 5 VAL CA C 60.322 0.300 1 65 105 5 VAL CB C 34.550 0.300 1 66 105 5 VAL CG1 C 22.339 0.300 2 67 105 5 VAL CG2 C 20.667 0.300 2 68 105 5 VAL N N 121.412 0.300 1 69 106 6 LYS H H 8.989 0.030 1 70 106 6 LYS HA H 5.234 0.030 1 71 106 6 LYS HB2 H 1.632 0.030 2 72 106 6 LYS HB3 H 1.334 0.030 2 73 106 6 LYS HG2 H 1.204 0.030 2 74 106 6 LYS HG3 H 1.395 0.030 2 75 106 6 LYS HD2 H 1.511 0.030 1 76 106 6 LYS HD3 H 1.511 0.030 1 77 106 6 LYS HE2 H 2.830 0.030 1 78 106 6 LYS HE3 H 2.830 0.030 1 79 106 6 LYS C C 177.020 0.300 1 80 106 6 LYS CA C 54.534 0.300 1 81 106 6 LYS CB C 34.320 0.300 1 82 106 6 LYS CG C 24.930 0.300 1 83 106 6 LYS CD C 29.126 0.300 1 84 106 6 LYS CE C 41.881 0.300 1 85 106 6 LYS N N 128.180 0.300 1 86 107 7 THR H H 8.741 0.030 1 87 107 7 THR HA H 4.862 0.030 1 88 107 7 THR HB H 4.758 0.030 1 89 107 7 THR HG2 H 1.113 0.030 1 90 107 7 THR C C 176.845 0.300 1 91 107 7 THR CA C 60.433 0.300 1 92 107 7 THR CB C 70.520 0.300 1 93 107 7 THR CG2 C 21.410 0.300 1 94 107 7 THR N N 115.562 0.300 1 95 108 8 LEU H H 9.134 0.030 1 96 108 8 LEU HA H 4.244 0.030 1 97 108 8 LEU HB2 H 1.878 0.030 2 98 108 8 LEU HB3 H 1.686 0.030 2 99 108 8 LEU HG H 1.809 0.030 1 100 108 8 LEU HD1 H 0.981 0.030 2 101 108 8 LEU HD2 H 0.915 0.030 2 102 108 8 LEU C C 178.807 0.300 1 103 108 8 LEU CA C 57.413 0.300 1 104 108 8 LEU CB C 41.857 0.300 1 105 108 8 LEU CG C 27.188 0.300 1 106 108 8 LEU CD1 C 25.308 0.300 2 107 108 8 LEU CD2 C 23.748 0.300 2 108 108 8 LEU N N 121.471 0.300 1 109 109 9 THR H H 7.649 0.030 1 110 109 9 THR HA H 4.351 0.030 1 111 109 9 THR HB H 4.510 0.030 1 112 109 9 THR HG2 H 1.199 0.030 1 113 109 9 THR C C 175.426 0.300 1 114 109 9 THR CA C 61.411 0.300 1 115 109 9 THR CB C 69.035 0.300 1 116 109 9 THR CG2 C 21.760 0.300 1 117 109 9 THR N N 106.058 0.300 1 118 110 10 GLY H H 7.839 0.030 1 119 110 10 GLY HA2 H 4.266 0.030 2 120 110 10 GLY HA3 H 3.543 0.030 2 121 110 10 GLY C C 173.882 0.300 1 122 110 10 GLY CA C 45.265 0.300 1 123 110 10 GLY N N 109.425 0.300 1 124 111 11 LYS H H 7.280 0.030 1 125 111 11 LYS HA H 4.261 0.030 1 126 111 11 LYS HB2 H 1.629 0.030 2 127 111 11 LYS HB3 H 1.750 0.030 2 128 111 11 LYS HG2 H 1.149 0.030 2 129 111 11 LYS HG3 H 1.338 0.030 2 130 111 11 LYS HD2 H 1.516 0.030 2 131 111 11 LYS HD3 H 1.566 0.030 2 132 111 11 LYS HE2 H 2.833 0.030 1 133 111 11 LYS HE3 H 2.833 0.030 1 134 111 11 LYS C C 175.660 0.300 1 135 111 11 LYS CA C 56.296 0.300 1 136 111 11 LYS CB C 33.354 0.300 1 137 111 11 LYS CG C 25.137 0.300 1 138 111 11 LYS CD C 29.478 0.300 1 139 111 11 LYS CE C 41.937 0.300 1 140 111 11 LYS N N 122.065 0.300 1 141 112 12 THR H H 8.645 0.030 1 142 112 12 THR HA H 5.024 0.030 1 143 112 12 THR HB H 3.867 0.030 1 144 112 12 THR HG2 H 0.999 0.030 1 145 112 12 THR C C 174.264 0.300 1 146 112 12 THR CA C 62.333 0.300 1 147 112 12 THR CB C 69.690 0.300 1 148 112 12 THR CG2 C 21.865 0.300 1 149 112 12 THR N N 120.762 0.300 1 150 113 13 ILE H H 9.575 0.030 1 151 113 13 ILE HA H 4.433 0.030 1 152 113 13 ILE HB H 1.799 0.030 1 153 113 13 ILE HG12 H 1.023 0.030 2 154 113 13 ILE HG13 H 1.412 0.030 2 155 113 13 ILE HG2 H 0.803 0.030 1 156 113 13 ILE HD1 H 0.635 0.030 1 157 113 13 ILE C C 175.073 0.300 1 158 113 13 ILE CA C 59.937 0.300 1 159 113 13 ILE CB C 40.673 0.300 1 160 113 13 ILE CG1 C 26.904 0.300 1 161 113 13 ILE CG2 C 17.637 0.300 1 162 113 13 ILE CD1 C 14.655 0.300 1 163 113 13 ILE N N 127.921 0.300 1 164 114 14 THR H H 8.745 0.030 1 165 114 14 THR HA H 4.919 0.030 1 166 114 14 THR HB H 3.971 0.030 1 167 114 14 THR HG2 H 1.067 0.030 1 168 114 14 THR C C 173.653 0.300 1 169 114 14 THR CA C 62.244 0.300 1 170 114 14 THR CB C 69.582 0.300 1 171 114 14 THR CG2 C 21.670 0.300 1 172 114 14 THR N N 121.811 0.300 1 173 115 15 LEU H H 8.746 0.030 1 174 115 15 LEU HA H 4.702 0.030 1 175 115 15 LEU HB2 H 1.121 0.030 2 176 115 15 LEU HB3 H 1.298 0.030 2 177 115 15 LEU HG H 1.338 0.030 1 178 115 15 LEU HD1 H 0.636 0.030 2 179 115 15 LEU HD2 H 0.686 0.030 2 180 115 15 LEU C C 174.884 0.300 1 181 115 15 LEU CA C 52.598 0.300 1 182 115 15 LEU CB C 46.812 0.300 1 183 115 15 LEU CG C 26.775 0.300 1 184 115 15 LEU CD1 C 27.170 0.300 2 185 115 15 LEU CD2 C 23.904 0.300 2 186 115 15 LEU N N 125.289 0.300 1 187 116 16 GLU H H 8.134 0.030 1 188 116 16 GLU HA H 4.808 0.030 1 189 116 16 GLU HB2 H 1.754 0.030 2 190 116 16 GLU HB3 H 1.842 0.030 2 191 116 16 GLU HG2 H 2.136 0.030 1 192 116 16 GLU HG3 H 2.136 0.030 1 193 116 16 GLU C C 175.817 0.300 1 194 116 16 GLU CA C 54.705 0.300 1 195 116 16 GLU CB C 29.635 0.300 1 196 116 16 GLU CG C 36.400 0.300 1 197 116 16 GLU N N 122.614 0.300 1 198 117 17 VAL H H 8.948 0.030 1 199 117 17 VAL HA H 4.631 0.030 1 200 117 17 VAL HB H 2.302 0.030 1 201 117 17 VAL HG1 H 0.626 0.030 2 202 117 17 VAL HG2 H 0.336 0.030 2 203 117 17 VAL C C 173.688 0.300 1 204 117 17 VAL CA C 58.353 0.300 1 205 117 17 VAL CB C 36.395 0.300 1 206 117 17 VAL CG1 C 22.010 0.300 2 207 117 17 VAL CG2 C 19.589 0.300 2 208 117 17 VAL N N 117.700 0.300 1 209 118 18 GLU H H 8.668 0.030 1 210 118 18 GLU HA H 5.019 0.030 1 211 118 18 GLU HB2 H 1.495 0.030 2 212 118 18 GLU HB3 H 2.081 0.030 2 213 118 18 GLU HG2 H 2.143 0.030 2 214 118 18 GLU HG3 H 2.279 0.030 2 215 118 18 GLU C C 175.927 0.300 1 216 118 18 GLU CA C 52.593 0.300 1 217 118 18 GLU CB C 30.793 0.300 1 218 118 18 GLU CG C 34.955 0.300 1 219 118 18 GLU N N 119.485 0.300 1 220 119 19 PRO HA H 4.046 0.030 1 221 119 19 PRO HB2 H 1.933 0.030 2 222 119 19 PRO HB3 H 2.354 0.030 2 223 119 19 PRO HG2 H 2.141 0.030 2 224 119 19 PRO HG3 H 1.988 0.030 2 225 119 19 PRO HD2 H 3.741 0.030 2 226 119 19 PRO HD3 H 3.941 0.030 2 227 119 19 PRO C C 175.317 0.300 1 228 119 19 PRO CA C 65.267 0.300 1 229 119 19 PRO CB C 31.856 0.300 1 230 119 19 PRO CG C 27.998 0.300 1 231 119 19 PRO CD C 50.384 0.300 1 232 120 20 SER H H 7.037 0.030 1 233 120 20 SER HA H 4.265 0.030 1 234 120 20 SER HB2 H 4.085 0.030 2 235 120 20 SER HB3 H 3.700 0.030 2 236 120 20 SER C C 174.550 0.300 1 237 120 20 SER CA C 57.378 0.300 1 238 120 20 SER CB C 63.345 0.300 1 239 120 20 SER N N 103.556 0.300 1 240 121 21 ASP H H 8.060 0.030 1 241 121 21 ASP HA H 4.603 0.030 1 242 121 21 ASP HB2 H 2.861 0.030 2 243 121 21 ASP HB3 H 2.445 0.030 2 244 121 21 ASP C C 176.300 0.300 1 245 121 21 ASP CA C 55.774 0.300 1 246 121 21 ASP CB C 40.738 0.300 1 247 121 21 ASP N N 124.090 0.300 1 248 122 22 THR H H 7.882 0.030 1 249 122 22 THR HA H 4.837 0.030 1 250 122 22 THR HB H 4.747 0.030 1 251 122 22 THR HG2 H 1.192 0.030 1 252 122 22 THR C C 176.642 0.300 1 253 122 22 THR CA C 59.610 0.300 1 254 122 22 THR CB C 71.224 0.300 1 255 122 22 THR CG2 C 22.139 0.300 1 256 122 22 THR N N 109.148 0.300 1 257 123 23 ILE H H 8.530 0.030 1 258 123 23 ILE HA H 3.557 0.030 1 259 123 23 ILE HB H 2.464 0.030 1 260 123 23 ILE HG12 H 1.267 0.030 2 261 123 23 ILE HG13 H 1.887 0.030 2 262 123 23 ILE HG2 H 0.711 0.030 1 263 123 23 ILE HD1 H 0.493 0.030 1 264 123 23 ILE C C 178.810 0.300 1 265 123 23 ILE CA C 62.202 0.300 1 266 123 23 ILE CB C 34.539 0.300 1 267 123 23 ILE CG1 C 27.856 0.300 1 268 123 23 ILE CG2 C 17.981 0.300 1 269 123 23 ILE CD1 C 9.111 0.300 1 270 123 23 ILE N N 121.443 0.300 1 271 124 24 GLU H H 10.026 0.030 1 272 124 24 GLU HA H 3.808 0.030 1 273 124 24 GLU HB2 H 1.895 0.030 2 274 124 24 GLU HB3 H 1.925 0.030 2 275 124 24 GLU HG2 H 2.230 0.030 2 276 124 24 GLU HG3 H 2.309 0.030 2 277 124 24 GLU C C 178.933 0.300 1 278 124 24 GLU CA C 60.645 0.300 1 279 124 24 GLU CB C 28.732 0.300 1 280 124 24 GLU CG C 36.095 0.300 1 281 125 25 ASN H H 7.935 0.030 1 282 125 25 ASN HA H 4.470 0.030 1 283 125 25 ASN HB2 H 3.163 0.030 2 284 125 25 ASN HB3 H 2.806 0.030 2 285 125 25 ASN HD21 H 6.905 0.030 2 286 125 25 ASN HD22 H 7.870 0.030 2 287 125 25 ASN C C 178.275 0.300 1 288 125 25 ASN CA C 55.909 0.300 1 289 125 25 ASN CB C 38.361 0.300 1 290 125 25 ASN N N 121.575 0.300 1 291 125 25 ASN ND2 N 109.874 0.300 1 292 126 26 VAL H H 8.122 0.030 1 293 126 26 VAL HA H 3.315 0.030 1 294 126 26 VAL HB H 2.276 0.030 1 295 126 26 VAL HG1 H 0.913 0.030 2 296 126 26 VAL HG2 H 0.622 0.030 2 297 126 26 VAL C C 177.751 0.300 1 298 126 26 VAL CA C 67.647 0.300 1 299 126 26 VAL CB C 30.752 0.300 1 300 126 26 VAL CG1 C 23.656 0.300 2 301 126 26 VAL CG2 C 21.420 0.300 2 302 126 26 VAL N N 122.373 0.300 1 303 127 27 LYS H H 8.560 0.030 1 304 127 27 LYS HA H 4.542 0.030 1 305 127 27 LYS HB2 H 1.976 0.030 2 306 127 27 LYS HB3 H 1.403 0.030 2 307 127 27 LYS HG2 H 1.352 0.030 2 308 127 27 LYS HG3 H 1.532 0.030 2 309 127 27 LYS HD2 H 1.610 0.030 2 310 127 27 LYS HD3 H 1.672 0.030 2 311 127 27 LYS HE2 H 2.549 0.030 1 312 127 27 LYS HE3 H 2.549 0.030 1 313 127 27 LYS C C 180.409 0.300 1 314 127 27 LYS CA C 59.125 0.300 1 315 127 27 LYS CB C 33.558 0.300 1 316 127 27 LYS CG C 26.134 0.300 1 317 127 27 LYS CD C 30.471 0.300 1 318 127 27 LYS CE C 42.374 0.300 1 319 127 27 LYS N N 119.130 0.300 1 320 128 28 ALA H H 7.975 0.030 1 321 128 28 ALA HA H 4.092 0.030 1 322 128 28 ALA HB H 1.563 0.030 1 323 128 28 ALA C C 180.149 0.300 1 324 128 28 ALA CA C 55.323 0.300 1 325 128 28 ALA CB C 17.619 0.300 1 326 128 28 ALA N N 123.612 0.300 1 327 129 29 LYS H H 7.873 0.030 1 328 129 29 LYS HA H 4.126 0.030 1 329 129 29 LYS HB2 H 2.082 0.030 2 330 129 29 LYS HB3 H 1.896 0.030 2 331 129 29 LYS HG2 H 1.529 0.030 2 332 129 29 LYS HG3 H 1.725 0.030 2 333 129 29 LYS HD2 H 1.366 0.030 2 334 129 29 LYS HD3 H 1.724 0.030 2 335 129 29 LYS HE2 H 2.903 0.030 2 336 129 29 LYS HE3 H 3.131 0.030 2 337 129 29 LYS C C 180.208 0.300 1 338 129 29 LYS CA C 59.762 0.300 1 339 129 29 LYS CB C 33.362 0.300 1 340 129 29 LYS CG C 26.521 0.300 1 341 129 29 LYS CD C 30.310 0.300 1 342 129 29 LYS CE C 42.408 0.300 1 343 129 29 LYS N N 120.431 0.300 1 344 130 30 ILE H H 8.293 0.030 1 345 130 30 ILE HA H 3.427 0.030 1 346 130 30 ILE HB H 2.296 0.030 1 347 130 30 ILE HG12 H 0.652 0.030 2 348 130 30 ILE HG13 H 1.976 0.030 2 349 130 30 ILE HG2 H 0.628 0.030 1 350 130 30 ILE HD1 H 0.829 0.030 1 351 130 30 ILE C C 178.121 0.300 1 352 130 30 ILE CA C 66.149 0.300 1 353 130 30 ILE CB C 36.744 0.300 1 354 130 30 ILE CG1 C 31.252 0.300 1 355 130 30 ILE CG2 C 17.001 0.300 1 356 130 30 ILE CD1 C 14.954 0.300 1 357 130 30 ILE N N 121.550 0.300 1 358 131 31 GLN H H 8.554 0.030 1 359 131 31 GLN HA H 3.747 0.030 1 360 131 31 GLN HB2 H 2.440 0.030 2 361 131 31 GLN HB3 H 1.903 0.030 2 362 131 31 GLN HG2 H 1.862 0.030 2 363 131 31 GLN HG3 H 2.227 0.030 2 364 131 31 GLN HE21 H 6.855 0.030 2 365 131 31 GLN HE22 H 7.712 0.030 2 366 131 31 GLN C C 178.801 0.300 1 367 131 31 GLN CA C 59.984 0.300 1 368 131 31 GLN CB C 27.649 0.300 1 369 131 31 GLN CG C 33.772 0.300 1 370 131 31 GLN N N 123.710 0.300 1 371 131 31 GLN NE2 N 110.220 0.300 1 372 132 32 ASP H H 8.036 0.030 1 373 132 32 ASP HA H 4.274 0.030 1 374 132 32 ASP HB2 H 2.676 0.030 2 375 132 32 ASP HB3 H 2.776 0.030 2 376 132 32 ASP C C 177.277 0.300 1 377 132 32 ASP CA C 57.358 0.300 1 378 132 32 ASP CB C 40.844 0.300 1 379 132 32 ASP N N 119.945 0.300 1 380 133 33 LYS H H 7.443 0.030 1 381 133 33 LYS HA H 4.234 0.030 1 382 133 33 LYS HB2 H 1.953 0.030 2 383 133 33 LYS HB3 H 1.786 0.030 2 384 133 33 LYS HG2 H 1.529 0.030 1 385 133 33 LYS HG3 H 1.529 0.030 1 386 133 33 LYS HD2 H 1.633 0.030 2 387 133 33 LYS HD3 H 1.651 0.030 2 388 133 33 LYS HE2 H 3.059 0.030 1 389 133 33 LYS HE3 H 3.059 0.030 1 390 133 33 LYS C C 177.768 0.300 1 391 133 33 LYS CA C 58.246 0.300 1 392 133 33 LYS CB C 33.968 0.300 1 393 133 33 LYS CG C 25.277 0.300 1 394 133 33 LYS CD C 28.951 0.300 1 395 133 33 LYS CE C 42.129 0.300 1 396 133 33 LYS N N 115.682 0.300 1 397 134 34 GLU H H 8.729 0.030 1 398 134 34 GLU HA H 4.492 0.030 1 399 134 34 GLU HB2 H 2.226 0.030 2 400 134 34 GLU HB3 H 1.644 0.030 2 401 134 34 GLU HG2 H 2.005 0.030 2 402 134 34 GLU HG3 H 2.107 0.030 2 403 134 34 GLU C C 177.855 0.300 1 404 134 34 GLU CA C 55.233 0.300 1 405 134 34 GLU CB C 33.312 0.300 1 406 134 34 GLU CG C 36.439 0.300 1 407 134 34 GLU N N 114.480 0.300 1 408 135 35 GLY H H 8.502 0.030 1 409 135 35 GLY HA2 H 3.840 0.030 2 410 135 35 GLY HA3 H 4.081 0.030 2 411 135 35 GLY C C 173.862 0.300 1 412 135 35 GLY CA C 45.921 0.300 1 413 135 35 GLY N N 109.046 0.300 1 414 136 36 ILE H H 6.159 0.030 1 415 136 36 ILE HA H 4.354 0.030 1 416 136 36 ILE HB H 1.349 0.030 1 417 136 36 ILE HG12 H 1.054 0.030 2 418 136 36 ILE HG13 H 1.354 0.030 2 419 136 36 ILE HG2 H 0.871 0.030 1 420 136 36 ILE HD1 H 0.728 0.030 1 421 136 36 ILE C C 173.317 0.300 1 422 136 36 ILE CA C 57.881 0.300 1 423 136 36 ILE CB C 40.529 0.300 1 424 136 36 ILE CG1 C 26.953 0.300 1 425 136 36 ILE CG2 C 18.064 0.300 1 426 136 36 ILE CD1 C 13.639 0.300 1 427 136 36 ILE N N 120.538 0.300 1 428 137 37 PRO HA H 4.564 0.030 1 429 137 37 PRO HB2 H 2.386 0.030 2 430 137 37 PRO HB3 H 1.962 0.030 2 431 137 37 PRO HG2 H 1.974 0.030 2 432 137 37 PRO HG3 H 2.053 0.030 2 433 137 37 PRO HD2 H 3.483 0.030 2 434 137 37 PRO HD3 H 4.167 0.030 2 435 137 37 PRO CA C 61.469 0.300 1 436 137 37 PRO CB C 31.819 0.300 1 437 137 37 PRO CG C 28.283 0.300 1 438 137 37 PRO CD C 51.021 0.300 1 439 138 38 PRO HA H 4.056 0.030 1 440 138 38 PRO HB2 H 1.957 0.030 2 441 138 38 PRO HB3 H 2.198 0.030 2 442 138 38 PRO HG2 H 2.114 0.030 2 443 138 38 PRO HG3 H 1.557 0.030 2 444 138 38 PRO HD2 H 3.683 0.030 1 445 138 38 PRO HD3 H 3.683 0.030 1 446 138 38 PRO C C 178.214 0.300 1 447 138 38 PRO CA C 66.124 0.300 1 448 138 38 PRO CB C 32.732 0.300 1 449 138 38 PRO CG C 27.692 0.300 1 450 138 38 PRO CD C 51.111 0.300 1 451 139 39 ASP H H 8.537 0.030 1 452 139 39 ASP HA H 4.333 0.030 1 453 139 39 ASP HB2 H 2.593 0.030 2 454 139 39 ASP HB3 H 2.730 0.030 2 455 139 39 ASP C C 176.948 0.300 1 456 139 39 ASP CA C 55.779 0.300 1 457 139 39 ASP CB C 39.700 0.300 1 458 139 39 ASP N N 113.779 0.300 1 459 140 40 GLN H H 7.823 0.030 1 460 140 40 GLN HA H 4.371 0.030 1 461 140 40 GLN HB2 H 1.996 0.030 2 462 140 40 GLN HB3 H 1.801 0.030 2 463 140 40 GLN HG2 H 2.355 0.030 1 464 140 40 GLN HG3 H 2.355 0.030 1 465 140 40 GLN HE21 H 6.828 0.030 2 466 140 40 GLN HE22 H 7.799 0.030 2 467 140 40 GLN C C 175.338 0.300 1 468 140 40 GLN CA C 55.479 0.300 1 469 140 40 GLN CB C 30.103 0.300 1 470 140 40 GLN CG C 34.258 0.300 1 471 140 40 GLN N N 117.003 0.300 1 472 140 40 GLN NE2 N 111.278 0.300 1 473 141 41 GLN H H 7.488 0.030 1 474 141 41 GLN HA H 4.149 0.030 1 475 141 41 GLN HB2 H 1.873 0.030 2 476 141 41 GLN HB3 H 1.908 0.030 2 477 141 41 GLN HG2 H 1.626 0.030 2 478 141 41 GLN HG3 H 2.456 0.030 2 479 141 41 GLN HE21 H 6.152 0.030 2 480 141 41 GLN HE22 H 6.497 0.030 2 481 141 41 GLN C C 176.009 0.300 1 482 141 41 GLN CA C 56.604 0.300 1 483 141 41 GLN CB C 31.506 0.300 1 484 141 41 GLN CG C 33.491 0.300 1 485 141 41 GLN N N 118.223 0.300 1 486 141 41 GLN NE2 N 104.376 0.300 1 487 142 42 ARG H H 8.506 0.030 1 488 142 42 ARG HA H 4.404 0.030 1 489 142 42 ARG HB2 H 1.594 0.030 2 490 142 42 ARG HB3 H 1.625 0.030 2 491 142 42 ARG HG2 H 1.314 0.030 2 492 142 42 ARG HG3 H 1.461 0.030 2 493 142 42 ARG HD2 H 3.034 0.030 2 494 142 42 ARG HD3 H 3.071 0.030 2 495 142 42 ARG C C 173.745 0.300 1 496 142 42 ARG CA C 55.135 0.300 1 497 142 42 ARG CB C 31.717 0.300 1 498 142 42 ARG CG C 27.057 0.300 1 499 142 42 ARG CD C 43.615 0.300 1 500 142 42 ARG N N 123.314 0.300 1 501 143 43 LEU H H 8.811 0.030 1 502 143 43 LEU HA H 5.309 0.030 1 503 143 43 LEU HB2 H 1.474 0.030 2 504 143 43 LEU HB3 H 1.082 0.030 2 505 143 43 LEU HG H 1.383 0.030 1 506 143 43 LEU HD1 H 0.691 0.030 2 507 143 43 LEU HD2 H 0.728 0.030 2 508 143 43 LEU C C 175.184 0.300 1 509 143 43 LEU CA C 52.915 0.300 1 510 143 43 LEU CB C 45.852 0.300 1 511 143 43 LEU CG C 27.157 0.300 1 512 143 43 LEU CD1 C 26.422 0.300 2 513 143 43 LEU CD2 C 24.140 0.300 2 514 143 43 LEU N N 124.616 0.300 1 515 144 44 ILE H H 9.139 0.030 1 516 144 44 ILE HA H 4.871 0.030 1 517 144 44 ILE HB H 1.670 0.030 1 518 144 44 ILE HG12 H 1.006 0.030 2 519 144 44 ILE HG13 H 1.291 0.030 2 520 144 44 ILE HG2 H 0.614 0.030 1 521 144 44 ILE HD1 H 0.608 0.030 1 522 144 44 ILE C C 175.645 0.300 1 523 144 44 ILE CA C 58.855 0.300 1 524 144 44 ILE CB C 41.100 0.300 1 525 144 44 ILE CG1 C 27.708 0.300 1 526 144 44 ILE CG2 C 17.513 0.300 1 527 144 44 ILE CD1 C 12.585 0.300 1 528 144 44 ILE N N 122.531 0.300 1 529 145 45 PHE H H 8.845 0.030 1 530 145 45 PHE HA H 5.126 0.030 1 531 145 45 PHE HB2 H 2.978 0.030 2 532 145 45 PHE HB3 H 2.758 0.030 2 533 145 45 PHE HD1 H 7.330 0.030 1 534 145 45 PHE HD2 H 7.330 0.030 1 535 145 45 PHE HE1 H 7.495 0.030 1 536 145 45 PHE HE2 H 7.495 0.030 1 537 145 45 PHE HZ H 7.428 0.030 1 538 145 45 PHE C C 174.596 0.300 1 539 145 45 PHE CA C 56.472 0.300 1 540 145 45 PHE CB C 43.604 0.300 1 541 145 45 PHE CD1 C 131.988 0.300 1 542 145 45 PHE CD2 C 131.988 0.300 1 543 145 45 PHE CE1 C 132.180 0.300 1 544 145 45 PHE CE2 C 132.180 0.300 1 545 145 45 PHE CZ C 130.015 0.300 1 546 145 45 PHE N N 125.001 0.300 1 547 146 46 ALA H H 9.012 0.030 1 548 146 46 ALA HA H 3.641 0.030 1 549 146 46 ALA HB H 0.802 0.030 1 550 146 46 ALA C C 177.260 0.300 1 551 146 46 ALA CA C 52.451 0.300 1 552 146 46 ALA CB C 16.740 0.300 1 553 146 46 ALA N N 133.178 0.300 1 554 147 47 GLY H H 8.100 0.030 1 555 147 47 GLY HA2 H 3.363 0.030 2 556 147 47 GLY HA3 H 4.063 0.030 2 557 147 47 GLY C C 173.639 0.300 1 558 147 47 GLY CA C 45.284 0.300 1 559 147 47 GLY N N 102.599 0.300 1 560 148 48 LYS H H 7.980 0.030 1 561 148 48 LYS HA H 4.542 0.030 1 562 148 48 LYS HB2 H 1.839 0.030 1 563 148 48 LYS HB3 H 1.839 0.030 1 564 148 48 LYS HG2 H 1.446 0.030 1 565 148 48 LYS HG3 H 1.446 0.030 1 566 148 48 LYS HD2 H 1.774 0.030 2 567 148 48 LYS HD3 H 1.816 0.030 2 568 148 48 LYS HE2 H 3.105 0.030 1 569 148 48 LYS HE3 H 3.105 0.030 1 570 148 48 LYS C C 174.538 0.300 1 571 148 48 LYS CA C 54.482 0.300 1 572 148 48 LYS CB C 34.373 0.300 1 573 148 48 LYS CG C 24.464 0.300 1 574 148 48 LYS CD C 29.107 0.300 1 575 148 48 LYS CE C 42.169 0.300 1 576 148 48 LYS N N 122.194 0.300 1 577 149 49 GLN H H 8.653 0.030 1 578 149 49 GLN HA H 4.469 0.030 1 579 149 49 GLN HB2 H 1.917 0.030 1 580 149 49 GLN HB3 H 1.917 0.030 1 581 149 49 GLN HG2 H 2.185 0.030 1 582 149 49 GLN HG3 H 2.185 0.030 1 583 149 49 GLN HE21 H 6.775 0.030 2 584 149 49 GLN HE22 H 7.866 0.030 2 585 149 49 GLN C C 175.515 0.300 1 586 149 49 GLN CA C 55.909 0.300 1 587 149 49 GLN CB C 29.069 0.300 1 588 149 49 GLN CG C 34.494 0.300 1 589 149 49 GLN N N 123.279 0.300 1 590 149 49 GLN NE2 N 112.469 0.300 1 591 150 50 LEU H H 8.569 0.030 1 592 150 50 LEU HA H 4.034 0.030 1 593 150 50 LEU HB2 H 1.418 0.030 2 594 150 50 LEU HB3 H 0.931 0.030 2 595 150 50 LEU HG H 1.456 0.030 1 596 150 50 LEU HD1 H 0.457 0.030 2 597 150 50 LEU HD2 H -0.244 0.030 2 598 150 50 LEU C C 176.538 0.300 1 599 150 50 LEU CA C 54.072 0.300 1 600 150 50 LEU CB C 41.293 0.300 1 601 150 50 LEU CG C 25.768 0.300 1 602 150 50 LEU CD1 C 25.981 0.300 2 603 150 50 LEU CD2 C 19.384 0.300 2 604 150 50 LEU N N 125.831 0.300 1 605 151 51 GLU H H 8.400 0.030 1 606 151 51 GLU HA H 4.464 0.030 1 607 151 51 GLU HB2 H 2.147 0.030 2 608 151 51 GLU HB3 H 1.890 0.030 2 609 151 51 GLU HG2 H 2.262 0.030 2 610 151 51 GLU HG3 H 2.361 0.030 2 611 151 51 GLU C C 175.436 0.300 1 612 151 51 GLU CA C 55.923 0.300 1 613 151 51 GLU CB C 31.853 0.300 1 614 151 51 GLU CG C 36.387 0.300 1 615 151 51 GLU N N 123.281 0.300 1 616 152 52 ASP H H 8.175 0.030 1 617 152 52 ASP HA H 4.350 0.030 1 618 152 52 ASP HB2 H 2.449 0.030 2 619 152 52 ASP HB3 H 2.552 0.030 2 620 152 52 ASP C C 177.357 0.300 1 621 152 52 ASP CA C 56.682 0.300 1 622 152 52 ASP CB C 40.605 0.300 1 623 152 52 ASP N N 120.568 0.300 1 624 153 53 GLY H H 9.651 0.030 1 625 153 53 GLY HA2 H 4.010 0.030 1 626 153 53 GLY HA3 H 4.010 0.030 1 627 153 53 GLY C C 174.677 0.300 1 628 153 53 GLY CA C 45.268 0.300 1 629 154 54 ARG H H 7.474 0.030 1 630 154 54 ARG HA H 4.643 0.030 1 631 154 54 ARG HB2 H 2.189 0.030 2 632 154 54 ARG HB3 H 2.011 0.030 2 633 154 54 ARG HG2 H 1.543 0.030 2 634 154 54 ARG HG3 H 1.768 0.030 2 635 154 54 ARG HD2 H 3.005 0.030 2 636 154 54 ARG HD3 H 3.082 0.030 2 637 154 54 ARG C C 175.234 0.300 1 638 154 54 ARG CA C 54.272 0.300 1 639 154 54 ARG CB C 32.791 0.300 1 640 154 54 ARG CG C 27.333 0.300 1 641 154 54 ARG CD C 42.822 0.300 1 642 154 54 ARG N N 119.543 0.300 1 643 155 55 THR H H 8.841 0.030 1 644 155 55 THR HA H 5.176 0.030 1 645 155 55 THR HB H 4.485 0.030 1 646 155 55 THR HG2 H 1.048 0.030 1 647 155 55 THR C C 176.398 0.300 1 648 155 55 THR CA C 59.585 0.300 1 649 155 55 THR CB C 72.319 0.300 1 650 155 55 THR CG2 C 22.226 0.300 1 651 155 55 THR N N 108.997 0.300 1 652 156 56 LEU H H 8.154 0.030 1 653 156 56 LEU HA H 3.996 0.030 1 654 156 56 LEU HB2 H 2.066 0.030 2 655 156 56 LEU HB3 H 1.108 0.030 2 656 156 56 LEU HG H 1.653 0.030 1 657 156 56 LEU HD1 H 0.676 0.030 2 658 156 56 LEU HD2 H 0.551 0.030 2 659 156 56 LEU C C 180.614 0.300 1 660 156 56 LEU CA C 58.566 0.300 1 661 156 56 LEU CB C 40.129 0.300 1 662 156 56 LEU CG C 26.553 0.300 1 663 156 56 LEU CD1 C 26.767 0.300 2 664 156 56 LEU CD2 C 23.012 0.300 2 665 156 56 LEU N N 118.194 0.300 1 666 157 57 SER H H 8.486 0.030 1 667 157 57 SER HA H 4.172 0.030 1 668 157 57 SER HB2 H 3.676 0.030 2 669 157 57 SER HB3 H 3.774 0.030 2 670 157 57 SER C C 178.254 0.300 1 671 157 57 SER CA C 61.059 0.300 1 672 157 57 SER CB C 62.426 0.300 1 673 157 57 SER N N 113.646 0.300 1 674 158 58 ASP H H 7.945 0.030 1 675 158 58 ASP HA H 4.204 0.030 1 676 158 58 ASP HB2 H 2.961 0.030 2 677 158 58 ASP HB3 H 2.215 0.030 2 678 158 58 ASP C C 177.446 0.300 1 679 158 58 ASP CA C 57.359 0.300 1 680 158 58 ASP CB C 40.195 0.300 1 681 158 58 ASP N N 124.691 0.300 1 682 159 59 TYR H H 7.263 0.030 1 683 159 59 TYR HA H 4.593 0.030 1 684 159 59 TYR HB2 H 3.402 0.030 2 685 159 59 TYR HB3 H 2.463 0.030 2 686 159 59 TYR HD1 H 7.267 0.030 1 687 159 59 TYR HD2 H 7.267 0.030 1 688 159 59 TYR HE1 H 6.855 0.030 1 689 159 59 TYR HE2 H 6.855 0.030 1 690 159 59 TYR C C 174.588 0.300 1 691 159 59 TYR CA C 58.210 0.300 1 692 159 59 TYR CB C 39.941 0.300 1 693 159 59 TYR CD1 C 133.480 0.300 1 694 159 59 TYR CD2 C 133.480 0.300 1 695 159 59 TYR CE1 C 118.533 0.300 1 696 159 59 TYR CE2 C 118.533 0.300 1 697 159 59 TYR N N 115.961 0.300 1 698 160 60 ASN H H 8.159 0.030 1 699 160 60 ASN HA H 4.294 0.030 1 700 160 60 ASN HB2 H 3.257 0.030 2 701 160 60 ASN HB3 H 2.747 0.030 2 702 160 60 ASN HD21 H 6.847 0.030 2 703 160 60 ASN HD22 H 7.626 0.030 2 704 160 60 ASN C C 174.219 0.300 1 705 160 60 ASN CA C 54.070 0.300 1 706 160 60 ASN CB C 37.269 0.300 1 707 160 60 ASN N N 116.121 0.300 1 708 160 60 ASN ND2 N 111.611 0.300 1 709 161 61 ILE H H 7.255 0.030 1 710 161 61 ILE HA H 3.276 0.030 1 711 161 61 ILE HB H 1.319 0.030 1 712 161 61 ILE HG12 H -0.555 0.030 2 713 161 61 ILE HG13 H 1.023 0.030 2 714 161 61 ILE HG2 H 0.410 0.030 1 715 161 61 ILE HD1 H 0.370 0.030 1 716 161 61 ILE C C 174.390 0.300 1 717 161 61 ILE CA C 62.419 0.300 1 718 161 61 ILE CB C 36.612 0.300 1 719 161 61 ILE CG1 C 28.207 0.300 1 720 161 61 ILE CG2 C 17.352 0.300 1 721 161 61 ILE CD1 C 14.744 0.300 1 722 161 61 ILE N N 119.070 0.300 1 723 162 62 GLN H H 7.634 0.030 1 724 162 62 GLN HA H 4.406 0.030 1 725 162 62 GLN HB2 H 2.171 0.030 2 726 162 62 GLN HB3 H 1.816 0.030 2 727 162 62 GLN HG2 H 2.215 0.030 2 728 162 62 GLN HG3 H 2.277 0.030 2 729 162 62 GLN HE21 H 6.855 0.030 2 730 162 62 GLN HE22 H 7.320 0.030 2 731 162 62 GLN C C 175.734 0.300 1 732 162 62 GLN CA C 53.485 0.300 1 733 162 62 GLN CB C 31.773 0.300 1 734 162 62 GLN CG C 33.279 0.300 1 735 162 62 GLN N N 125.105 0.300 1 736 162 62 GLN NE2 N 112.539 0.300 1 737 163 63 ARG H H 8.498 0.030 1 738 163 63 ARG HA H 3.897 0.030 1 739 163 63 ARG HB2 H 1.873 0.030 2 740 163 63 ARG HB3 H 2.017 0.030 2 741 163 63 ARG HG2 H 1.647 0.030 1 742 163 63 ARG HG3 H 1.647 0.030 1 743 163 63 ARG HD2 H 3.226 0.030 2 744 163 63 ARG HD3 H 3.171 0.030 2 745 163 63 ARG C C 175.889 0.300 1 746 163 63 ARG CA C 57.697 0.300 1 747 163 63 ARG CB C 32.619 0.300 1 748 163 63 ARG CG C 26.314 0.300 1 749 163 63 ARG CD C 43.577 0.300 1 750 163 63 ARG N N 120.748 0.300 1 751 164 64 GLU H H 9.327 0.030 1 752 164 64 GLU HA H 3.273 0.030 1 753 164 64 GLU HB2 H 2.353 0.030 2 754 164 64 GLU HB3 H 2.505 0.030 2 755 164 64 GLU HG2 H 2.183 0.030 1 756 164 64 GLU HG3 H 2.183 0.030 1 757 164 64 GLU C C 175.135 0.300 1 758 164 64 GLU CA C 58.639 0.300 1 759 164 64 GLU CB C 25.951 0.300 1 760 164 64 GLU CG C 37.450 0.300 1 761 164 64 GLU N N 114.784 0.300 1 762 165 65 SER H H 7.670 0.030 1 763 165 65 SER HA H 4.549 0.030 1 764 165 65 SER HB2 H 3.842 0.030 2 765 165 65 SER HB3 H 3.589 0.030 2 766 165 65 SER C C 171.897 0.300 1 767 165 65 SER CA C 61.089 0.300 1 768 165 65 SER CB C 64.920 0.300 1 769 165 65 SER N N 115.112 0.300 1 770 166 66 THR H H 8.716 0.030 1 771 166 66 THR HA H 5.225 0.030 1 772 166 66 THR HB H 3.994 0.030 1 773 166 66 THR HG2 H 0.843 0.030 1 774 166 66 THR C C 173.550 0.300 1 775 166 66 THR CA C 62.450 0.300 1 776 166 66 THR CB C 70.253 0.300 1 777 166 66 THR CG2 C 21.394 0.300 1 778 166 66 THR N N 117.632 0.300 1 779 167 67 LEU H H 9.409 0.030 1 780 167 67 LEU HA H 5.024 0.030 1 781 167 67 LEU HB2 H 1.566 0.030 1 782 167 67 LEU HB3 H 1.566 0.030 1 783 167 67 LEU HG H 1.700 0.030 1 784 167 67 LEU HD1 H 0.621 0.030 2 785 167 67 LEU HD2 H 0.554 0.030 2 786 167 67 LEU C C 175.036 0.300 1 787 167 67 LEU CA C 53.691 0.300 1 788 167 67 LEU CB C 44.427 0.300 1 789 167 67 LEU CG C 29.500 0.300 1 790 167 67 LEU CD1 C 24.797 0.300 2 791 167 67 LEU CD2 C 25.485 0.300 2 792 167 67 LEU N N 128.001 0.300 1 793 168 68 HIS H H 9.227 0.030 1 794 168 68 HIS HA H 5.044 0.030 1 795 168 68 HIS HB2 H 3.017 0.030 2 796 168 68 HIS HB3 H 2.793 0.030 2 797 168 68 HIS HD2 H 6.908 0.030 1 798 168 68 HIS HE1 H 7.755 0.030 1 799 168 68 HIS C C 173.901 0.300 1 800 168 68 HIS CA C 56.140 0.300 1 801 168 68 HIS CB C 32.249 0.300 1 802 168 68 HIS CD2 C 119.255 0.300 1 803 168 68 HIS CE1 C 137.857 0.300 1 804 168 68 HIS N N 119.806 0.300 1 805 169 69 LEU H H 8.364 0.030 1 806 169 69 LEU HA H 5.134 0.030 1 807 169 69 LEU HB2 H 1.532 0.030 2 808 169 69 LEU HB3 H 1.072 0.030 2 809 169 69 LEU HG H 1.253 0.030 1 810 169 69 LEU HD1 H 0.686 0.030 2 811 169 69 LEU HD2 H 0.797 0.030 2 812 169 69 LEU C C 175.377 0.300 1 813 169 69 LEU CA C 53.683 0.300 1 814 169 69 LEU CB C 44.013 0.300 1 815 169 69 LEU CG C 27.569 0.300 1 816 169 69 LEU CD1 C 26.082 0.300 2 817 169 69 LEU CD2 C 23.870 0.300 2 818 169 69 LEU N N 124.681 0.300 1 819 170 70 VAL H H 9.178 0.030 1 820 170 70 VAL HA H 4.340 0.030 1 821 170 70 VAL HB H 1.974 0.030 1 822 170 70 VAL HG1 H 0.879 0.030 2 823 170 70 VAL HG2 H 0.790 0.030 2 824 170 70 VAL C C 174.049 0.300 1 825 170 70 VAL CA C 60.490 0.300 1 826 170 70 VAL CB C 34.878 0.300 1 827 170 70 VAL CG1 C 21.198 0.300 2 828 170 70 VAL CG2 C 20.763 0.300 2 829 170 70 VAL N N 126.802 0.300 1 830 171 71 LEU H H 8.122 0.030 1 831 171 71 LEU HA H 4.978 0.030 1 832 171 71 LEU HB2 H 1.474 0.030 2 833 171 71 LEU HB3 H 1.618 0.030 2 834 171 71 LEU HG H 1.615 0.030 1 835 171 71 LEU HD1 H 0.918 0.030 2 836 171 71 LEU HD2 H 0.803 0.030 2 837 171 71 LEU C C 177.814 0.300 1 838 171 71 LEU CA C 54.025 0.300 1 839 171 71 LEU CB C 42.589 0.300 1 840 171 71 LEU CG C 27.449 0.300 1 841 171 71 LEU CD1 C 25.048 0.300 2 842 171 71 LEU CD2 C 23.949 0.300 2 843 171 71 LEU N N 123.304 0.300 1 844 172 72 ARG H H 8.600 0.030 1 845 172 72 ARG HA H 4.191 0.030 1 846 172 72 ARG HB2 H 1.487 0.030 2 847 172 72 ARG HB3 H 1.704 0.030 2 848 172 72 ARG HG2 H 1.463 0.030 2 849 172 72 ARG HG3 H 1.516 0.030 2 850 172 72 ARG HD2 H 3.092 0.030 1 851 172 72 ARG HD3 H 3.092 0.030 1 852 172 72 ARG C C 175.299 0.300 1 853 172 72 ARG CA C 55.863 0.300 1 854 172 72 ARG CB C 31.207 0.300 1 855 172 72 ARG CG C 27.248 0.300 1 856 172 72 ARG CD C 43.267 0.300 1 857 172 72 ARG N N 123.874 0.300 1 858 173 73 LEU H H 8.283 0.030 1 859 173 73 LEU HA H 4.335 0.030 1 860 173 73 LEU HB2 H 1.532 0.030 2 861 173 73 LEU HB3 H 1.619 0.030 2 862 173 73 LEU HG H 1.590 0.030 1 863 173 73 LEU HD1 H 0.865 0.030 2 864 173 73 LEU HD2 H 0.809 0.030 2 865 173 73 LEU C C 177.356 0.300 1 866 173 73 LEU CA C 54.723 0.300 1 867 173 73 LEU CB C 42.146 0.300 1 868 173 73 LEU CG C 27.196 0.300 1 869 173 73 LEU CD1 C 25.018 0.300 2 870 173 73 LEU CD2 C 23.257 0.300 2 871 173 73 LEU N N 123.913 0.300 1 872 174 74 ARG H H 8.443 0.030 1 873 174 74 ARG HA H 4.263 0.030 1 874 174 74 ARG HB2 H 1.732 0.030 2 875 174 74 ARG HB3 H 1.805 0.030 2 876 174 74 ARG HG2 H 1.605 0.030 1 877 174 74 ARG HG3 H 1.605 0.030 1 878 174 74 ARG HD2 H 3.138 0.030 1 879 174 74 ARG HD3 H 3.138 0.030 1 880 174 74 ARG C C 176.747 0.300 1 881 174 74 ARG CA C 56.562 0.300 1 882 174 74 ARG CB C 30.631 0.300 1 883 174 74 ARG CG C 27.043 0.300 1 884 174 74 ARG CD C 43.258 0.300 1 885 174 74 ARG N N 122.171 0.300 1 886 175 75 GLY H H 8.491 0.030 1 887 175 75 GLY HA2 H 3.847 0.030 2 888 175 75 GLY HA3 H 3.924 0.030 2 889 175 75 GLY C C 173.573 0.300 1 890 175 75 GLY CA C 45.360 0.300 1 891 175 75 GLY N N 111.187 0.300 1 892 176 76 GLY H H 7.953 0.030 1 893 176 76 GLY HA2 H 3.836 0.030 2 894 176 76 GLY HA3 H 3.913 0.030 2 895 176 76 GLY C C 179.056 0.300 1 896 176 76 GLY CA C 45.360 0.300 1 897 176 76 GLY N N 115.266 0.300 1 stop_ save_ save_assigned_chem_shift_list_1_3 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-13C NOESY' '3D half-filter NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_3 _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 1 201 1 MET HA H 4.169 0.030 1 2 201 1 MET HB2 H 2.045 0.030 2 3 201 1 MET HB3 H 2.096 0.030 2 4 201 1 MET HG2 H 1.859 0.030 2 5 201 1 MET HG3 H 2.492 0.030 2 6 201 1 MET HE H 1.507 0.030 1 7 201 1 MET C C 173.036 0.300 1 8 201 1 MET CA C 54.387 0.300 1 9 201 1 MET CB C 32.977 0.300 1 10 201 1 MET CG C 30.822 0.300 1 11 201 1 MET CE C 17.723 0.300 1 12 202 2 GLN H H 8.953 0.030 1 13 202 2 GLN HA H 5.241 0.030 1 14 202 2 GLN HB2 H 1.744 0.030 2 15 202 2 GLN HB3 H 1.542 0.030 2 16 202 2 GLN HG2 H 2.182 0.030 2 17 202 2 GLN HG3 H 2.013 0.030 2 18 202 2 GLN HE21 H 7.773 0.030 2 19 202 2 GLN HE22 H 6.762 0.030 2 20 202 2 GLN C C 175.900 0.300 1 21 202 2 GLN CA C 54.951 0.300 1 22 202 2 GLN CB C 30.577 0.300 1 23 202 2 GLN CG C 35.327 0.300 1 24 202 2 GLN N N 123.028 0.300 1 25 202 2 GLN NE2 N 112.113 0.300 1 26 203 3 ILE H H 8.320 0.030 1 27 203 3 ILE HA H 4.084 0.030 1 28 203 3 ILE HB H 1.740 0.030 1 29 203 3 ILE HG12 H 0.803 0.030 2 30 203 3 ILE HG13 H 1.031 0.030 2 31 203 3 ILE HG2 H 0.550 0.030 1 32 203 3 ILE HD1 H 0.517 0.030 1 33 203 3 ILE C C 172.320 0.300 1 34 203 3 ILE CA C 59.575 0.300 1 35 203 3 ILE CB C 42.049 0.300 1 36 203 3 ILE CG1 C 24.878 0.300 1 37 203 3 ILE CG2 C 17.684 0.300 1 38 203 3 ILE CD1 C 14.216 0.300 1 39 203 3 ILE N N 115.245 0.300 1 40 204 4 PHE H H 8.610 0.030 1 41 204 4 PHE HA H 5.603 0.030 1 42 204 4 PHE HB2 H 2.833 0.030 2 43 204 4 PHE HB3 H 3.003 0.030 2 44 204 4 PHE HD1 H 7.008 0.030 1 45 204 4 PHE HD2 H 7.008 0.030 1 46 204 4 PHE HE1 H 7.166 0.030 1 47 204 4 PHE HE2 H 7.166 0.030 1 48 204 4 PHE HZ H 7.152 0.030 1 49 204 4 PHE C C 175.085 0.300 1 50 204 4 PHE CA C 55.011 0.300 1 51 204 4 PHE CB C 41.093 0.300 1 52 204 4 PHE CD1 C 132.045 0.300 1 53 204 4 PHE CD2 C 132.045 0.300 1 54 204 4 PHE CE1 C 131.029 0.300 1 55 204 4 PHE CE2 C 131.029 0.300 1 56 204 4 PHE CZ C 129.284 0.300 1 57 204 4 PHE N N 118.750 0.300 1 58 205 5 VAL H H 9.300 0.030 1 59 205 5 VAL HA H 4.761 0.030 1 60 205 5 VAL HB H 1.850 0.030 1 61 205 5 VAL HG1 H 0.606 0.030 2 62 205 5 VAL HG2 H 0.652 0.030 2 63 205 5 VAL C C 174.760 0.300 1 64 205 5 VAL CA C 60.303 0.300 1 65 205 5 VAL CB C 34.538 0.300 1 66 205 5 VAL CG1 C 22.236 0.300 2 67 205 5 VAL CG2 C 20.710 0.300 2 68 205 5 VAL N N 121.412 0.300 1 69 206 6 LYS H H 8.903 0.030 1 70 206 6 LYS HA H 5.226 0.030 1 71 206 6 LYS HB2 H 1.620 0.030 2 72 206 6 LYS HB3 H 1.331 0.030 2 73 206 6 LYS HG2 H 1.196 0.030 2 74 206 6 LYS HG3 H 1.382 0.030 2 75 206 6 LYS HD2 H 1.504 0.030 1 76 206 6 LYS HD3 H 1.504 0.030 1 77 206 6 LYS HE2 H 2.828 0.030 1 78 206 6 LYS HE3 H 2.828 0.030 1 79 206 6 LYS C C 177.020 0.300 1 80 206 6 LYS CA C 54.520 0.300 1 81 206 6 LYS CB C 34.185 0.300 1 82 206 6 LYS CG C 24.903 0.300 1 83 206 6 LYS CD C 29.124 0.300 1 84 206 6 LYS CE C 41.852 0.300 1 85 206 6 LYS N N 128.180 0.300 1 86 207 7 THR H H 8.741 0.030 1 87 207 7 THR HA H 4.843 0.030 1 88 207 7 THR HB H 4.757 0.030 1 89 207 7 THR HG2 H 1.099 0.030 1 90 207 7 THR C C 176.845 0.300 1 91 207 7 THR CA C 60.450 0.300 1 92 207 7 THR CB C 70.460 0.300 1 93 207 7 THR CG2 C 21.367 0.300 1 94 207 7 THR N N 115.562 0.300 1 95 208 8 LEU H H 9.249 0.030 1 96 208 8 LEU HA H 4.220 0.030 1 97 208 8 LEU HB2 H 1.869 0.030 2 98 208 8 LEU HB3 H 1.664 0.030 2 99 208 8 LEU HG H 1.804 0.030 1 100 208 8 LEU HD1 H 0.968 0.030 2 101 208 8 LEU HD2 H 0.906 0.030 2 102 208 8 LEU C C 178.807 0.300 1 103 208 8 LEU CA C 57.423 0.300 1 104 208 8 LEU CB C 41.868 0.300 1 105 208 8 LEU CG C 27.183 0.300 1 106 208 8 LEU CD1 C 25.362 0.300 2 107 208 8 LEU CD2 C 23.748 0.300 2 108 208 8 LEU N N 121.471 0.300 1 109 209 9 THR H H 7.649 0.030 1 110 209 9 THR HA H 4.359 0.030 1 111 209 9 THR HB H 4.512 0.030 1 112 209 9 THR HG2 H 1.187 0.030 1 113 209 9 THR C C 175.426 0.300 1 114 209 9 THR CA C 61.375 0.300 1 115 209 9 THR CB C 69.033 0.300 1 116 209 9 THR CG2 C 21.760 0.300 1 117 209 9 THR N N 106.058 0.300 1 118 210 10 GLY H H 7.839 0.030 1 119 210 10 GLY HA2 H 4.269 0.030 2 120 210 10 GLY HA3 H 3.540 0.030 2 121 210 10 GLY C C 173.882 0.300 1 122 210 10 GLY CA C 45.264 0.300 1 123 210 10 GLY N N 109.425 0.300 1 124 211 11 LYS H H 7.280 0.030 1 125 211 11 LYS HA H 4.265 0.030 1 126 211 11 LYS HB2 H 1.619 0.030 2 127 211 11 LYS HB3 H 1.741 0.030 2 128 211 11 LYS HG2 H 1.152 0.030 2 129 211 11 LYS HG3 H 1.341 0.030 2 130 211 11 LYS HD2 H 1.523 0.030 2 131 211 11 LYS HD3 H 1.564 0.030 2 132 211 11 LYS HE2 H 2.791 0.030 2 133 211 11 LYS HE3 H 2.828 0.030 2 134 211 11 LYS C C 175.660 0.300 1 135 211 11 LYS CA C 56.226 0.300 1 136 211 11 LYS CB C 33.362 0.300 1 137 211 11 LYS CG C 25.100 0.300 1 138 211 11 LYS CD C 29.478 0.300 1 139 211 11 LYS CE C 41.837 0.300 1 140 211 11 LYS N N 122.065 0.300 1 141 212 12 THR H H 8.645 0.030 1 142 212 12 THR HA H 5.024 0.030 1 143 212 12 THR HB H 3.867 0.030 1 144 212 12 THR HG2 H 0.998 0.030 1 145 212 12 THR C C 174.264 0.300 1 146 212 12 THR CA C 62.333 0.300 1 147 212 12 THR CB C 69.671 0.300 1 148 212 12 THR CG2 C 21.933 0.300 1 149 212 12 THR N N 120.762 0.300 1 150 213 13 ILE H H 9.575 0.030 1 151 213 13 ILE HA H 4.457 0.030 1 152 213 13 ILE HB H 1.807 0.030 1 153 213 13 ILE HG12 H 1.042 0.030 2 154 213 13 ILE HG13 H 1.364 0.030 2 155 213 13 ILE HG2 H 0.805 0.030 1 156 213 13 ILE HD1 H 0.649 0.030 1 157 213 13 ILE C C 175.073 0.300 1 158 213 13 ILE CA C 59.903 0.300 1 159 213 13 ILE CB C 40.661 0.300 1 160 213 13 ILE CG1 C 26.842 0.300 1 161 213 13 ILE CG2 C 17.644 0.300 1 162 213 13 ILE CD1 C 14.396 0.300 1 163 213 13 ILE N N 127.921 0.300 1 164 214 14 THR H H 8.784 0.030 1 165 214 14 THR HA H 4.919 0.030 1 166 214 14 THR HB H 3.971 0.030 1 167 214 14 THR HG2 H 1.061 0.030 1 168 214 14 THR C C 173.653 0.300 1 169 214 14 THR CA C 62.244 0.300 1 170 214 14 THR CB C 69.622 0.300 1 171 214 14 THR CG2 C 21.712 0.300 1 172 214 14 THR N N 121.811 0.300 1 173 215 15 LEU H H 8.746 0.030 1 174 215 15 LEU HA H 4.702 0.030 1 175 215 15 LEU HB2 H 1.117 0.030 2 176 215 15 LEU HB3 H 1.295 0.030 2 177 215 15 LEU HG H 1.334 0.030 1 178 215 15 LEU HD1 H 0.632 0.030 2 179 215 15 LEU HD2 H 0.686 0.030 2 180 215 15 LEU C C 174.884 0.300 1 181 215 15 LEU CA C 52.615 0.300 1 182 215 15 LEU CB C 46.784 0.300 1 183 215 15 LEU CG C 26.766 0.300 1 184 215 15 LEU CD1 C 27.117 0.300 2 185 215 15 LEU CD2 C 23.920 0.300 2 186 215 15 LEU N N 125.289 0.300 1 187 216 16 GLU H H 8.134 0.030 1 188 216 16 GLU HA H 4.806 0.030 1 189 216 16 GLU HB2 H 1.754 0.030 2 190 216 16 GLU HB3 H 1.838 0.030 2 191 216 16 GLU HG2 H 2.114 0.030 1 192 216 16 GLU HG3 H 2.114 0.030 1 193 216 16 GLU C C 175.817 0.300 1 194 216 16 GLU CA C 54.745 0.300 1 195 216 16 GLU CB C 29.656 0.300 1 196 216 16 GLU CG C 36.400 0.300 1 197 216 16 GLU N N 122.614 0.300 1 198 217 17 VAL H H 8.948 0.030 1 199 217 17 VAL HA H 4.627 0.030 1 200 217 17 VAL HB H 2.302 0.030 1 201 217 17 VAL HG1 H 0.617 0.030 2 202 217 17 VAL HG2 H 0.335 0.030 2 203 217 17 VAL C C 173.688 0.300 1 204 217 17 VAL CA C 58.321 0.300 1 205 217 17 VAL CB C 36.307 0.300 1 206 217 17 VAL CG1 C 22.043 0.300 2 207 217 17 VAL CG2 C 19.597 0.300 2 208 217 17 VAL N N 117.700 0.300 1 209 218 18 GLU H H 8.668 0.030 1 210 218 18 GLU HA H 5.014 0.030 1 211 218 18 GLU HB2 H 1.612 0.030 2 212 218 18 GLU HB3 H 2.081 0.030 2 213 218 18 GLU HG2 H 2.141 0.030 2 214 218 18 GLU HG3 H 2.268 0.030 2 215 218 18 GLU C C 175.927 0.300 1 216 218 18 GLU CA C 52.593 0.300 1 217 218 18 GLU CB C 30.832 0.300 1 218 218 18 GLU CG C 34.986 0.300 1 219 218 18 GLU N N 119.485 0.300 1 220 219 19 PRO HA H 4.043 0.030 1 221 219 19 PRO HB2 H 1.933 0.030 2 222 219 19 PRO HB3 H 2.387 0.030 2 223 219 19 PRO HG2 H 1.994 0.030 2 224 219 19 PRO HG3 H 2.132 0.030 2 225 219 19 PRO HD2 H 3.741 0.030 2 226 219 19 PRO HD3 H 3.928 0.030 2 227 219 19 PRO C C 175.317 0.300 1 228 219 19 PRO CA C 65.249 0.300 1 229 219 19 PRO CB C 31.807 0.300 1 230 219 19 PRO CG C 27.994 0.300 1 231 219 19 PRO CD C 50.385 0.300 1 232 220 20 SER H H 7.037 0.030 1 233 220 20 SER HA H 4.285 0.030 1 234 220 20 SER HB2 H 4.082 0.030 2 235 220 20 SER HB3 H 3.707 0.030 2 236 220 20 SER C C 174.550 0.300 1 237 220 20 SER CA C 57.350 0.300 1 238 220 20 SER CB C 63.347 0.300 1 239 220 20 SER N N 103.556 0.300 1 240 221 21 ASP H H 8.060 0.030 1 241 221 21 ASP HA H 4.603 0.030 1 242 221 21 ASP HB2 H 2.873 0.030 2 243 221 21 ASP HB3 H 2.441 0.030 2 244 221 21 ASP C C 176.300 0.300 1 245 221 21 ASP CA C 55.773 0.300 1 246 221 21 ASP CB C 40.749 0.300 1 247 221 21 ASP N N 124.090 0.300 1 248 222 22 THR H H 7.882 0.030 1 249 222 22 THR HA H 4.832 0.030 1 250 222 22 THR HB H 4.744 0.030 1 251 222 22 THR HG2 H 1.186 0.030 1 252 222 22 THR C C 176.642 0.300 1 253 222 22 THR CA C 59.610 0.300 1 254 222 22 THR CB C 71.222 0.300 1 255 222 22 THR CG2 C 22.146 0.300 1 256 222 22 THR N N 109.148 0.300 1 257 223 23 ILE H H 8.530 0.030 1 258 223 23 ILE HA H 3.560 0.030 1 259 223 23 ILE HB H 2.365 0.030 1 260 223 23 ILE HG12 H 1.267 0.030 2 261 223 23 ILE HG13 H 1.887 0.030 2 262 223 23 ILE HG2 H 0.711 0.030 1 263 223 23 ILE HD1 H 0.495 0.030 1 264 223 23 ILE C C 178.810 0.300 1 265 223 23 ILE CA C 62.202 0.300 1 266 223 23 ILE CB C 34.539 0.300 1 267 223 23 ILE CG1 C 27.816 0.300 1 268 223 23 ILE CG2 C 18.008 0.300 1 269 223 23 ILE CD1 C 9.154 0.300 1 270 223 23 ILE N N 121.443 0.300 1 271 224 24 GLU H H 10.026 0.030 1 272 224 24 GLU HA H 3.805 0.030 1 273 224 24 GLU HB2 H 1.984 0.030 2 274 224 24 GLU HB3 H 2.016 0.030 2 275 224 24 GLU HG2 H 2.226 0.030 2 276 224 24 GLU HG3 H 2.310 0.030 2 277 224 24 GLU C C 178.933 0.300 1 278 224 24 GLU CA C 60.646 0.300 1 279 224 24 GLU CB C 28.802 0.300 1 280 224 24 GLU CG C 36.169 0.300 1 281 225 25 ASN H H 7.935 0.030 1 282 225 25 ASN HA H 4.477 0.030 1 283 225 25 ASN HB2 H 3.160 0.030 2 284 225 25 ASN HB3 H 2.806 0.030 2 285 225 25 ASN HD21 H 6.908 0.030 2 286 225 25 ASN HD22 H 7.886 0.030 2 287 225 25 ASN C C 178.275 0.300 1 288 225 25 ASN CA C 55.915 0.300 1 289 225 25 ASN CB C 38.356 0.300 1 290 225 25 ASN N N 121.575 0.300 1 291 225 25 ASN ND2 N 109.874 0.300 1 292 226 26 VAL H H 8.122 0.030 1 293 226 26 VAL HA H 3.315 0.030 1 294 226 26 VAL HB H 2.273 0.030 1 295 226 26 VAL HG1 H 0.907 0.030 2 296 226 26 VAL HG2 H 0.617 0.030 2 297 226 26 VAL C C 177.751 0.300 1 298 226 26 VAL CA C 67.643 0.300 1 299 226 26 VAL CB C 30.738 0.300 1 300 226 26 VAL CG1 C 23.681 0.300 2 301 226 26 VAL CG2 C 21.392 0.300 2 302 226 26 VAL N N 122.373 0.300 1 303 227 27 LYS H H 8.560 0.030 1 304 227 27 LYS HA H 4.542 0.030 1 305 227 27 LYS HB2 H 1.976 0.030 2 306 227 27 LYS HB3 H 1.391 0.030 2 307 227 27 LYS HG2 H 1.381 0.030 2 308 227 27 LYS HG3 H 1.532 0.030 2 309 227 27 LYS HD2 H 1.610 0.030 2 310 227 27 LYS HD3 H 1.672 0.030 2 311 227 27 LYS HE2 H 2.551 0.030 1 312 227 27 LYS HE3 H 2.551 0.030 1 313 227 27 LYS C C 180.409 0.300 1 314 227 27 LYS CA C 59.109 0.300 1 315 227 27 LYS CB C 33.594 0.300 1 316 227 27 LYS CG C 26.134 0.300 1 317 227 27 LYS CD C 30.471 0.300 1 318 227 27 LYS CE C 42.368 0.300 1 319 227 27 LYS N N 119.130 0.300 1 320 228 28 ALA H H 7.975 0.030 1 321 228 28 ALA HA H 4.090 0.030 1 322 228 28 ALA HB H 1.561 0.030 1 323 228 28 ALA C C 180.149 0.300 1 324 228 28 ALA CA C 55.334 0.300 1 325 228 28 ALA CB C 17.583 0.300 1 326 228 28 ALA N N 123.612 0.300 1 327 229 29 LYS H H 7.873 0.030 1 328 229 29 LYS HA H 4.130 0.030 1 329 229 29 LYS HB2 H 2.112 0.030 2 330 229 29 LYS HB3 H 1.919 0.030 2 331 229 29 LYS HG2 H 1.528 0.030 2 332 229 29 LYS HG3 H 1.722 0.030 2 333 229 29 LYS HD2 H 1.373 0.030 2 334 229 29 LYS HD3 H 1.360 0.030 2 335 229 29 LYS HE2 H 2.898 0.030 2 336 229 29 LYS HE3 H 3.128 0.030 2 337 229 29 LYS C C 180.208 0.300 1 338 229 29 LYS CA C 59.746 0.300 1 339 229 29 LYS CB C 33.420 0.300 1 340 229 29 LYS CG C 26.509 0.300 1 341 229 29 LYS CD C 30.282 0.300 1 342 229 29 LYS CE C 42.416 0.300 1 343 229 29 LYS N N 120.431 0.300 1 344 230 30 ILE H H 8.293 0.030 1 345 230 30 ILE HA H 3.426 0.030 1 346 230 30 ILE HB H 2.304 0.030 1 347 230 30 ILE HG12 H 0.652 0.030 2 348 230 30 ILE HG13 H 1.976 0.030 2 349 230 30 ILE HG2 H 0.627 0.030 1 350 230 30 ILE HD1 H 0.827 0.030 1 351 230 30 ILE C C 178.121 0.300 1 352 230 30 ILE CA C 66.119 0.300 1 353 230 30 ILE CB C 36.763 0.300 1 354 230 30 ILE CG1 C 31.230 0.300 1 355 230 30 ILE CG2 C 16.998 0.300 1 356 230 30 ILE CD1 C 15.343 0.300 1 357 230 30 ILE N N 121.550 0.300 1 358 231 31 GLN H H 8.554 0.030 1 359 231 31 GLN HA H 3.745 0.030 1 360 231 31 GLN HB2 H 2.434 0.030 2 361 231 31 GLN HB3 H 1.903 0.030 2 362 231 31 GLN HG2 H 1.865 0.030 2 363 231 31 GLN HG3 H 2.211 0.030 2 364 231 31 GLN HE21 H 6.837 0.030 2 365 231 31 GLN HE22 H 7.712 0.030 2 366 231 31 GLN C C 178.801 0.300 1 367 231 31 GLN CA C 59.992 0.300 1 368 231 31 GLN CB C 27.621 0.300 1 369 231 31 GLN CG C 33.765 0.300 1 370 231 31 GLN N N 123.710 0.300 1 371 231 31 GLN NE2 N 110.220 0.300 1 372 232 32 ASP H H 8.036 0.030 1 373 232 32 ASP HA H 4.251 0.030 1 374 232 32 ASP HB2 H 2.680 0.030 2 375 232 32 ASP HB3 H 2.779 0.030 2 376 232 32 ASP C C 177.277 0.300 1 377 232 32 ASP CA C 57.372 0.300 1 378 232 32 ASP CB C 40.864 0.300 1 379 232 32 ASP N N 119.945 0.300 1 380 233 33 LYS H H 7.443 0.030 1 381 233 33 LYS HA H 4.242 0.030 1 382 233 33 LYS HB2 H 1.953 0.030 2 383 233 33 LYS HB3 H 1.784 0.030 2 384 233 33 LYS HG2 H 1.533 0.030 1 385 233 33 LYS HG3 H 1.533 0.030 1 386 233 33 LYS HD2 H 1.629 0.030 2 387 233 33 LYS HD3 H 1.663 0.030 2 388 233 33 LYS HE2 H 3.048 0.030 2 389 233 33 LYS HE3 H 3.108 0.030 2 390 233 33 LYS C C 177.768 0.300 1 391 233 33 LYS CA C 58.195 0.300 1 392 233 33 LYS CB C 33.961 0.300 1 393 233 33 LYS CG C 25.260 0.300 1 394 233 33 LYS CD C 28.902 0.300 1 395 233 33 LYS CE C 42.100 0.300 1 396 233 33 LYS N N 115.682 0.300 1 397 234 34 GLU H H 8.729 0.030 1 398 234 34 GLU HA H 4.493 0.030 1 399 234 34 GLU HB2 H 2.208 0.030 2 400 234 34 GLU HB3 H 1.644 0.030 2 401 234 34 GLU HG2 H 2.007 0.030 2 402 234 34 GLU HG3 H 2.113 0.030 2 403 234 34 GLU C C 177.855 0.300 1 404 234 34 GLU CA C 55.220 0.300 1 405 234 34 GLU CB C 33.312 0.300 1 406 234 34 GLU CG C 36.461 0.300 1 407 234 34 GLU N N 114.480 0.300 1 408 235 35 GLY H H 8.502 0.030 1 409 235 35 GLY HA2 H 3.841 0.030 2 410 235 35 GLY HA3 H 4.069 0.030 2 411 235 35 GLY C C 173.862 0.300 1 412 235 35 GLY CA C 45.925 0.300 1 413 235 35 GLY N N 109.046 0.300 1 414 236 36 ILE H H 6.159 0.030 1 415 236 36 ILE HA H 4.354 0.030 1 416 236 36 ILE HB H 1.347 0.030 1 417 236 36 ILE HG12 H 1.021 0.030 2 418 236 36 ILE HG13 H 1.315 0.030 2 419 236 36 ILE HG2 H 0.866 0.030 1 420 236 36 ILE HD1 H 0.731 0.030 1 421 236 36 ILE C C 173.317 0.300 1 422 236 36 ILE CA C 57.848 0.300 1 423 236 36 ILE CB C 40.495 0.300 1 424 236 36 ILE CG1 C 26.890 0.300 1 425 236 36 ILE CG2 C 17.515 0.300 1 426 236 36 ILE CD1 C 13.649 0.300 1 427 236 36 ILE N N 120.538 0.300 1 428 237 37 PRO HA H 4.559 0.030 1 429 237 37 PRO HB2 H 2.344 0.030 2 430 237 37 PRO HB3 H 1.962 0.030 2 431 237 37 PRO HG2 H 1.967 0.030 2 432 237 37 PRO HG3 H 2.047 0.030 2 433 237 37 PRO HD2 H 3.474 0.030 2 434 237 37 PRO HD3 H 4.154 0.030 2 435 237 37 PRO CA C 61.437 0.300 1 436 237 37 PRO CB C 31.793 0.300 1 437 237 37 PRO CG C 28.256 0.300 1 438 237 37 PRO CD C 51.001 0.300 1 439 238 38 PRO HA H 4.045 0.030 1 440 238 38 PRO HB2 H 1.933 0.030 2 441 238 38 PRO HB3 H 2.194 0.030 2 442 238 38 PRO HG2 H 2.112 0.030 2 443 238 38 PRO HG3 H 1.584 0.030 2 444 238 38 PRO HD2 H 3.674 0.030 2 445 238 38 PRO HD3 H 3.690 0.030 2 446 238 38 PRO C C 178.214 0.300 1 447 238 38 PRO CA C 66.120 0.300 1 448 238 38 PRO CB C 32.764 0.300 1 449 238 38 PRO CG C 27.692 0.300 1 450 238 38 PRO CD C 51.099 0.300 1 451 239 39 ASP H H 8.537 0.030 1 452 239 39 ASP HA H 4.328 0.030 1 453 239 39 ASP HB2 H 2.596 0.030 2 454 239 39 ASP HB3 H 2.725 0.030 2 455 239 39 ASP C C 176.948 0.300 1 456 239 39 ASP CA C 55.745 0.300 1 457 239 39 ASP CB C 39.646 0.300 1 458 239 39 ASP N N 113.779 0.300 1 459 240 40 GLN H H 7.823 0.030 1 460 240 40 GLN HA H 4.381 0.030 1 461 240 40 GLN HB2 H 2.405 0.030 2 462 240 40 GLN HB3 H 1.775 0.030 2 463 240 40 GLN HG2 H 2.350 0.030 1 464 240 40 GLN HG3 H 2.350 0.030 1 465 240 40 GLN HE21 H 6.814 0.030 2 466 240 40 GLN HE22 H 7.765 0.030 2 467 240 40 GLN C C 175.338 0.300 1 468 240 40 GLN CA C 55.465 0.300 1 469 240 40 GLN CB C 29.982 0.300 1 470 240 40 GLN CG C 34.223 0.300 1 471 240 40 GLN N N 117.003 0.300 1 472 240 40 GLN NE2 N 111.278 0.300 1 473 241 41 GLN H H 7.488 0.030 1 474 241 41 GLN HA H 4.181 0.030 1 475 241 41 GLN HB2 H 1.873 0.030 2 476 241 41 GLN HB3 H 1.908 0.030 2 477 241 41 GLN HG2 H 1.626 0.030 2 478 241 41 GLN HG3 H 2.458 0.030 2 479 241 41 GLN HE21 H 6.182 0.030 2 480 241 41 GLN HE22 H 6.513 0.030 2 481 241 41 GLN C C 176.009 0.300 1 482 241 41 GLN CA C 56.724 0.300 1 483 241 41 GLN CB C 31.506 0.300 1 484 241 41 GLN CG C 33.502 0.300 1 485 241 41 GLN N N 118.223 0.300 1 486 241 41 GLN NE2 N 104.376 0.300 1 487 242 42 ARG H H 8.506 0.030 1 488 242 42 ARG HA H 4.396 0.030 1 489 242 42 ARG HB2 H 1.600 0.030 2 490 242 42 ARG HB3 H 1.664 0.030 2 491 242 42 ARG HG2 H 1.296 0.030 2 492 242 42 ARG HG3 H 1.461 0.030 2 493 242 42 ARG HD2 H 3.034 0.030 2 494 242 42 ARG HD3 H 3.071 0.030 2 495 242 42 ARG C C 173.745 0.300 1 496 242 42 ARG CA C 55.100 0.300 1 497 242 42 ARG CB C 31.770 0.300 1 498 242 42 ARG CG C 27.057 0.300 1 499 242 42 ARG CD C 43.426 0.300 1 500 242 42 ARG N N 123.314 0.300 1 501 243 43 LEU H H 8.811 0.030 1 502 243 43 LEU HA H 5.305 0.030 1 503 243 43 LEU HB2 H 1.477 0.030 2 504 243 43 LEU HB3 H 1.028 0.030 2 505 243 43 LEU HG H 1.346 0.030 1 506 243 43 LEU HD1 H 0.688 0.030 2 507 243 43 LEU HD2 H 0.721 0.030 2 508 243 43 LEU C C 175.184 0.300 1 509 243 43 LEU CA C 52.909 0.300 1 510 243 43 LEU CB C 45.840 0.300 1 511 243 43 LEU CG C 27.365 0.300 1 512 243 43 LEU CD1 C 26.383 0.300 2 513 243 43 LEU CD2 C 24.142 0.300 2 514 243 43 LEU N N 124.616 0.300 1 515 244 44 ILE H H 9.139 0.030 1 516 244 44 ILE HA H 4.885 0.030 1 517 244 44 ILE HB H 1.671 0.030 1 518 244 44 ILE HG12 H 1.001 0.030 2 519 244 44 ILE HG13 H 1.288 0.030 2 520 244 44 ILE HG2 H 0.604 0.030 1 521 244 44 ILE HD1 H 0.602 0.030 1 522 244 44 ILE C C 175.645 0.300 1 523 244 44 ILE CA C 58.789 0.300 1 524 244 44 ILE CB C 41.061 0.300 1 525 244 44 ILE CG1 C 27.710 0.300 1 526 244 44 ILE CG2 C 17.488 0.300 1 527 244 44 ILE CD1 C 12.528 0.300 1 528 244 44 ILE N N 122.531 0.300 1 529 245 45 PHE H H 8.845 0.030 1 530 245 45 PHE HA H 5.112 0.030 1 531 245 45 PHE HB2 H 2.978 0.030 2 532 245 45 PHE HB3 H 2.780 0.030 2 533 245 45 PHE HD1 H 7.330 0.030 1 534 245 45 PHE HD2 H 7.330 0.030 1 535 245 45 PHE HE1 H 7.495 0.030 1 536 245 45 PHE HE2 H 7.495 0.030 1 537 245 45 PHE HZ H 7.428 0.030 1 538 245 45 PHE C C 174.596 0.300 1 539 245 45 PHE CA C 56.487 0.300 1 540 245 45 PHE CB C 43.604 0.300 1 541 245 45 PHE CD1 C 131.988 0.300 1 542 245 45 PHE CD2 C 131.988 0.300 1 543 245 45 PHE CE1 C 132.180 0.300 1 544 245 45 PHE CE2 C 132.180 0.300 1 545 245 45 PHE CZ C 130.015 0.300 1 546 245 45 PHE N N 125.001 0.300 1 547 246 46 ALA H H 9.050 0.030 1 548 246 46 ALA HA H 3.622 0.030 1 549 246 46 ALA HB H 0.791 0.030 1 550 246 46 ALA C C 177.260 0.300 1 551 246 46 ALA CA C 52.418 0.300 1 552 246 46 ALA CB C 16.444 0.300 1 553 246 46 ALA N N 133.178 0.300 1 554 247 47 GLY H H 8.100 0.030 1 555 247 47 GLY HA2 H 3.370 0.030 2 556 247 47 GLY HA3 H 4.036 0.030 2 557 247 47 GLY C C 173.639 0.300 1 558 247 47 GLY CA C 45.267 0.300 1 559 247 47 GLY N N 102.599 0.300 1 560 248 48 LYS H H 7.980 0.030 1 561 248 48 LYS HA H 4.540 0.030 1 562 248 48 LYS HB2 H 1.828 0.030 1 563 248 48 LYS HB3 H 1.828 0.030 1 564 248 48 LYS HG2 H 1.443 0.030 1 565 248 48 LYS HG3 H 1.443 0.030 1 566 248 48 LYS HD2 H 1.772 0.030 2 567 248 48 LYS HD3 H 1.810 0.030 2 568 248 48 LYS HE2 H 3.120 0.030 1 569 248 48 LYS HE3 H 3.120 0.030 1 570 248 48 LYS C C 174.538 0.300 1 571 248 48 LYS CA C 54.475 0.300 1 572 248 48 LYS CB C 34.343 0.300 1 573 248 48 LYS CG C 24.450 0.300 1 574 248 48 LYS CD C 29.101 0.300 1 575 248 48 LYS CE C 42.137 0.300 1 576 248 48 LYS N N 122.194 0.300 1 577 249 49 GLN H H 8.653 0.030 1 578 249 49 GLN HA H 4.468 0.030 1 579 249 49 GLN HB2 H 1.918 0.030 1 580 249 49 GLN HB3 H 1.918 0.030 1 581 249 49 GLN HG2 H 2.168 0.030 1 582 249 49 GLN HG3 H 2.168 0.030 1 583 249 49 GLN HE21 H 6.804 0.030 2 584 249 49 GLN HE22 H 7.654 0.030 2 585 249 49 GLN C C 175.515 0.300 1 586 249 49 GLN CA C 55.892 0.300 1 587 249 49 GLN CB C 29.069 0.300 1 588 249 49 GLN CG C 34.501 0.300 1 589 249 49 GLN N N 123.279 0.300 1 590 249 49 GLN NE2 N 112.469 0.300 1 591 250 50 LEU H H 8.569 0.030 1 592 250 50 LEU HA H 4.034 0.030 1 593 250 50 LEU HB2 H 1.460 0.030 2 594 250 50 LEU HB3 H 0.981 0.030 2 595 250 50 LEU HG H 1.456 0.030 1 596 250 50 LEU HD1 H 0.450 0.030 2 597 250 50 LEU HD2 H -0.248 0.030 2 598 250 50 LEU C C 176.538 0.300 1 599 250 50 LEU CA C 54.036 0.300 1 600 250 50 LEU CB C 41.509 0.300 1 601 250 50 LEU CG C 25.768 0.300 1 602 250 50 LEU CD1 C 25.964 0.300 2 603 250 50 LEU CD2 C 19.383 0.300 2 604 250 50 LEU N N 125.831 0.300 1 605 251 51 GLU H H 8.400 0.030 1 606 251 51 GLU HA H 4.451 0.030 1 607 251 51 GLU HB2 H 2.133 0.030 2 608 251 51 GLU HB3 H 1.888 0.030 2 609 251 51 GLU HG2 H 2.273 0.030 2 610 251 51 GLU HG3 H 2.361 0.030 2 611 251 51 GLU C C 175.436 0.300 1 612 251 51 GLU CA C 55.815 0.300 1 613 251 51 GLU CB C 31.823 0.300 1 614 251 51 GLU CG C 36.352 0.300 1 615 251 51 GLU N N 123.281 0.300 1 616 252 52 ASP H H 8.175 0.030 1 617 252 52 ASP HA H 4.350 0.030 1 618 252 52 ASP HB2 H 2.487 0.030 2 619 252 52 ASP HB3 H 2.587 0.030 2 620 252 52 ASP C C 177.357 0.300 1 621 252 52 ASP CA C 56.682 0.300 1 622 252 52 ASP CB C 40.794 0.300 1 623 252 52 ASP N N 120.568 0.300 1 624 253 53 GLY H H 9.651 0.030 1 625 253 53 GLY HA2 H 4.010 0.030 1 626 253 53 GLY HA3 H 4.010 0.030 1 627 253 53 GLY C C 174.677 0.300 1 628 253 53 GLY CA C 45.209 0.300 1 629 254 54 ARG H H 7.474 0.030 1 630 254 54 ARG HA H 4.644 0.030 1 631 254 54 ARG HB2 H 2.189 0.030 2 632 254 54 ARG HB3 H 1.941 0.030 2 633 254 54 ARG HG2 H 1.530 0.030 2 634 254 54 ARG HG3 H 1.753 0.030 2 635 254 54 ARG HD2 H 3.011 0.030 2 636 254 54 ARG HD3 H 3.085 0.030 2 637 254 54 ARG C C 175.234 0.300 1 638 254 54 ARG CA C 54.237 0.300 1 639 254 54 ARG CB C 32.791 0.300 1 640 254 54 ARG CG C 27.317 0.300 1 641 254 54 ARG CD C 42.821 0.300 1 642 254 54 ARG N N 119.543 0.300 1 643 255 55 THR H H 8.841 0.030 1 644 255 55 THR HA H 5.174 0.030 1 645 255 55 THR HB H 4.483 0.030 1 646 255 55 THR HG2 H 1.045 0.030 1 647 255 55 THR C C 176.398 0.300 1 648 255 55 THR CA C 59.574 0.300 1 649 255 55 THR CB C 72.336 0.300 1 650 255 55 THR CG2 C 22.211 0.300 1 651 255 55 THR N N 108.997 0.300 1 652 256 56 LEU H H 8.154 0.030 1 653 256 56 LEU HA H 3.992 0.030 1 654 256 56 LEU HB2 H 2.052 0.030 2 655 256 56 LEU HB3 H 1.118 0.030 2 656 256 56 LEU HG H 1.616 0.030 1 657 256 56 LEU HD1 H 0.674 0.030 2 658 256 56 LEU HD2 H 0.547 0.030 2 659 256 56 LEU C C 180.614 0.300 1 660 256 56 LEU CA C 58.578 0.300 1 661 256 56 LEU CB C 40.110 0.300 1 662 256 56 LEU CG C 26.553 0.300 1 663 256 56 LEU CD1 C 26.784 0.300 2 664 256 56 LEU CD2 C 22.986 0.300 2 665 256 56 LEU N N 118.194 0.300 1 666 257 57 SER H H 8.486 0.030 1 667 257 57 SER HA H 4.176 0.030 1 668 257 57 SER HB2 H 3.675 0.030 2 669 257 57 SER HB3 H 3.773 0.030 2 670 257 57 SER C C 178.254 0.300 1 671 257 57 SER CA C 61.033 0.300 1 672 257 57 SER CB C 62.434 0.300 1 673 257 57 SER N N 113.646 0.300 1 674 258 58 ASP H H 7.945 0.030 1 675 258 58 ASP HA H 4.203 0.030 1 676 258 58 ASP HB2 H 2.956 0.030 2 677 258 58 ASP HB3 H 2.205 0.030 2 678 258 58 ASP C C 177.446 0.300 1 679 258 58 ASP CA C 57.369 0.300 1 680 258 58 ASP CB C 40.175 0.300 1 681 258 58 ASP N N 124.691 0.300 1 682 259 59 TYR H H 7.263 0.030 1 683 259 59 TYR HA H 4.588 0.030 1 684 259 59 TYR HB2 H 3.399 0.030 2 685 259 59 TYR HB3 H 2.493 0.030 2 686 259 59 TYR HD1 H 7.210 0.030 1 687 259 59 TYR HD2 H 7.210 0.030 1 688 259 59 TYR HE1 H 6.855 0.030 1 689 259 59 TYR HE2 H 6.855 0.030 1 690 259 59 TYR C C 174.588 0.300 1 691 259 59 TYR CA C 58.229 0.300 1 692 259 59 TYR CB C 39.891 0.300 1 693 259 59 TYR CD1 C 133.480 0.300 1 694 259 59 TYR CD2 C 133.480 0.300 1 695 259 59 TYR CE1 C 118.533 0.300 1 696 259 59 TYR CE2 C 118.533 0.300 1 697 259 59 TYR N N 115.961 0.300 1 698 260 60 ASN H H 8.159 0.030 1 699 260 60 ASN HA H 4.286 0.030 1 700 260 60 ASN HB2 H 3.235 0.030 2 701 260 60 ASN HB3 H 2.740 0.030 2 702 260 60 ASN HD21 H 6.841 0.030 2 703 260 60 ASN HD22 H 7.618 0.030 2 704 260 60 ASN C C 174.219 0.300 1 705 260 60 ASN CA C 54.082 0.300 1 706 260 60 ASN CB C 37.265 0.300 1 707 260 60 ASN N N 116.121 0.300 1 708 260 60 ASN ND2 N 111.611 0.300 1 709 261 61 ILE H H 7.255 0.030 1 710 261 61 ILE HA H 3.292 0.030 1 711 261 61 ILE HB H 1.323 0.030 1 712 261 61 ILE HG12 H -0.399 0.030 2 713 261 61 ILE HG13 H 1.067 0.030 2 714 261 61 ILE HG2 H 0.404 0.030 1 715 261 61 ILE HD1 H 0.363 0.030 1 716 261 61 ILE C C 174.390 0.300 1 717 261 61 ILE CA C 62.390 0.300 1 718 261 61 ILE CB C 36.600 0.300 1 719 261 61 ILE CG1 C 28.315 0.300 1 720 261 61 ILE CG2 C 17.232 0.300 1 721 261 61 ILE CD1 C 14.635 0.300 1 722 261 61 ILE N N 119.070 0.300 1 723 262 62 GLN H H 7.634 0.030 1 724 262 62 GLN HA H 4.396 0.030 1 725 262 62 GLN HB2 H 2.184 0.030 2 726 262 62 GLN HB3 H 1.832 0.030 2 727 262 62 GLN HG2 H 2.219 0.030 2 728 262 62 GLN HG3 H 2.279 0.030 2 729 262 62 GLN HE21 H 6.854 0.030 2 730 262 62 GLN HE22 H 7.337 0.030 2 731 262 62 GLN C C 175.734 0.300 1 732 262 62 GLN CA C 53.503 0.300 1 733 262 62 GLN CB C 31.590 0.300 1 734 262 62 GLN CG C 33.380 0.300 1 735 262 62 GLN N N 125.105 0.300 1 736 262 62 GLN NE2 N 112.539 0.300 1 737 263 63 LYS H H 8.498 0.030 1 738 263 63 LYS HA H 3.872 0.030 1 739 263 63 LYS HB2 H 1.873 0.030 2 740 263 63 LYS HB3 H 2.017 0.030 2 741 263 63 LYS HG2 H 1.335 0.030 1 742 263 63 LYS HG3 H 1.335 0.030 1 743 263 63 LYS HD2 H 1.653 0.030 1 744 263 63 LYS HD3 H 1.653 0.030 1 745 263 63 LYS HE2 H 3.155 0.030 1 746 263 63 LYS HE3 H 3.155 0.030 1 747 263 63 LYS C C 175.889 0.300 1 748 263 63 LYS CA C 58.067 0.300 1 749 263 63 LYS CB C 32.619 0.300 1 750 263 63 LYS CG C 24.227 0.300 1 751 263 63 LYS CD C 29.805 0.300 1 752 263 63 LYS CE C 41.804 0.300 1 753 263 63 LYS N N 120.748 0.300 1 754 264 64 GLU H H 9.327 0.030 1 755 264 64 GLU HA H 3.271 0.030 1 756 264 64 GLU HB2 H 2.339 0.030 2 757 264 64 GLU HB3 H 2.478 0.030 2 758 264 64 GLU HG2 H 2.115 0.030 2 759 264 64 GLU HG3 H 2.221 0.030 2 760 264 64 GLU C C 175.135 0.300 1 761 264 64 GLU CA C 58.203 0.300 1 762 264 64 GLU CB C 25.983 0.300 1 763 264 64 GLU CG C 37.158 0.300 1 764 264 64 GLU N N 114.784 0.300 1 765 265 65 SER H H 7.670 0.030 1 766 265 65 SER HA H 4.555 0.030 1 767 265 65 SER HB2 H 3.571 0.030 2 768 265 65 SER HB3 H 3.827 0.030 2 769 265 65 SER C C 171.897 0.300 1 770 265 65 SER CA C 60.994 0.300 1 771 265 65 SER CB C 64.924 0.300 1 772 265 65 SER N N 115.112 0.300 1 773 266 66 THR H H 8.716 0.030 1 774 266 66 THR HA H 5.217 0.030 1 775 266 66 THR HB H 3.992 0.030 1 776 266 66 THR HG2 H 0.858 0.030 1 777 266 66 THR C C 173.550 0.300 1 778 266 66 THR CA C 62.449 0.300 1 779 266 66 THR CB C 70.238 0.300 1 780 266 66 THR CG2 C 21.468 0.300 1 781 266 66 THR N N 117.632 0.300 1 782 267 67 LEU H H 9.408 0.030 1 783 267 67 LEU HA H 5.025 0.030 1 784 267 67 LEU HB2 H 1.547 0.030 2 785 267 67 LEU HB3 H 1.567 0.030 2 786 267 67 LEU HG H 1.699 0.030 1 787 267 67 LEU HD1 H 0.618 0.030 2 788 267 67 LEU HD2 H 0.588 0.030 2 789 267 67 LEU C C 175.036 0.300 1 790 267 67 LEU CA C 53.693 0.300 1 791 267 67 LEU CB C 44.360 0.300 1 792 267 67 LEU CG C 29.453 0.300 1 793 267 67 LEU CD1 C 24.782 0.300 2 794 267 67 LEU CD2 C 25.091 0.300 2 795 267 67 LEU N N 128.001 0.300 1 796 268 68 HIS H H 9.227 0.030 1 797 268 68 HIS HA H 5.040 0.030 1 798 268 68 HIS HB2 H 3.013 0.030 2 799 268 68 HIS HB3 H 2.816 0.030 2 800 268 68 HIS HD2 H 6.910 0.030 1 801 268 68 HIS HE1 H 7.756 0.030 1 802 268 68 HIS C C 173.901 0.300 1 803 268 68 HIS CA C 56.099 0.300 1 804 268 68 HIS CB C 32.230 0.300 1 805 268 68 HIS CD2 C 119.255 0.300 1 806 268 68 HIS CE1 C 137.928 0.300 1 807 268 68 HIS N N 119.806 0.300 1 808 269 69 LEU H H 8.364 0.030 1 809 269 69 LEU HA H 5.132 0.030 1 810 269 69 LEU HB2 H 1.540 0.030 2 811 269 69 LEU HB3 H 1.085 0.030 2 812 269 69 LEU HG H 1.257 0.030 1 813 269 69 LEU HD1 H 0.692 0.030 2 814 269 69 LEU HD2 H 0.797 0.030 2 815 269 69 LEU C C 175.377 0.300 1 816 269 69 LEU CA C 53.728 0.300 1 817 269 69 LEU CB C 43.951 0.300 1 818 269 69 LEU CG C 27.531 0.300 1 819 269 69 LEU CD1 C 25.991 0.300 2 820 269 69 LEU CD2 C 23.876 0.300 2 821 269 69 LEU N N 124.681 0.300 1 822 270 70 VAL H H 9.178 0.030 1 823 270 70 VAL HA H 4.352 0.030 1 824 270 70 VAL HB H 1.975 0.030 1 825 270 70 VAL HG1 H 0.855 0.030 2 826 270 70 VAL HG2 H 0.751 0.030 2 827 270 70 VAL C C 174.049 0.300 1 828 270 70 VAL CA C 60.392 0.300 1 829 270 70 VAL CB C 34.911 0.300 1 830 270 70 VAL CG1 C 21.385 0.300 2 831 270 70 VAL CG2 C 20.394 0.300 2 832 270 70 VAL N N 126.802 0.300 1 833 271 71 LEU H H 8.122 0.030 1 834 271 71 LEU HA H 4.884 0.030 1 835 271 71 LEU HB2 H 1.477 0.030 2 836 271 71 LEU HB3 H 1.598 0.030 2 837 271 71 LEU HG H 1.604 0.030 1 838 271 71 LEU HD1 H 0.903 0.030 2 839 271 71 LEU HD2 H 0.798 0.030 2 840 271 71 LEU C C 177.814 0.300 1 841 271 71 LEU CA C 54.088 0.300 1 842 271 71 LEU CB C 42.828 0.300 1 843 271 71 LEU CG C 27.335 0.300 1 844 271 71 LEU CD1 C 24.929 0.300 2 845 271 71 LEU CD2 C 23.859 0.300 2 846 271 71 LEU N N 123.304 0.300 1 847 272 72 ARG H H 8.600 0.030 1 848 272 72 ARG HA H 4.176 0.030 1 849 272 72 ARG HB2 H 1.648 0.030 2 850 272 72 ARG HB3 H 1.467 0.030 2 851 272 72 ARG HG2 H 1.463 0.030 2 852 272 72 ARG HG3 H 1.516 0.030 2 853 272 72 ARG HD2 H 3.119 0.030 1 854 272 72 ARG HD3 H 3.119 0.030 1 855 272 72 ARG C C 175.299 0.300 1 856 272 72 ARG CA C 55.654 0.300 1 857 272 72 ARG CB C 31.329 0.300 1 858 272 72 ARG CG C 27.160 0.300 1 859 272 72 ARG CD C 43.402 0.300 1 860 272 72 ARG N N 123.874 0.300 1 861 273 73 LEU H H 8.283 0.030 1 862 273 73 LEU HA H 4.308 0.030 1 863 273 73 LEU HB2 H 1.478 0.030 2 864 273 73 LEU HB3 H 1.599 0.030 2 865 273 73 LEU HG H 1.590 0.030 1 866 273 73 LEU HD1 H 0.862 0.030 2 867 273 73 LEU HD2 H 0.804 0.030 2 868 273 73 LEU C C 177.356 0.300 1 869 273 73 LEU CA C 54.745 0.300 1 870 273 73 LEU CB C 42.302 0.300 1 871 273 73 LEU CG C 27.030 0.300 1 872 273 73 LEU CD1 C 24.987 0.300 2 873 273 73 LEU CD2 C 23.186 0.300 2 874 273 73 LEU N N 123.913 0.300 1 875 274 74 ARG H H 8.443 0.030 1 876 274 74 ARG HA H 4.205 0.030 1 877 274 74 ARG HB2 H 1.738 0.030 2 878 274 74 ARG HB3 H 1.796 0.030 2 879 274 74 ARG HG2 H 1.607 0.030 1 880 274 74 ARG HG3 H 1.607 0.030 1 881 274 74 ARG HD2 H 3.139 0.030 1 882 274 74 ARG HD3 H 3.139 0.030 1 883 274 74 ARG C C 176.747 0.300 1 884 274 74 ARG CA C 56.562 0.300 1 885 274 74 ARG CB C 30.658 0.300 1 886 274 74 ARG CG C 27.030 0.300 1 887 274 74 ARG CD C 43.263 0.300 1 888 274 74 ARG N N 122.171 0.300 1 889 275 75 GLY H H 8.491 0.030 1 890 275 75 GLY HA2 H 3.884 0.030 2 891 275 75 GLY HA3 H 3.944 0.030 2 892 275 75 GLY C C 173.573 0.300 1 893 275 75 GLY CA C 45.281 0.300 1 894 275 75 GLY N N 111.187 0.300 1 895 276 76 CYS H H 7.953 0.030 1 896 276 76 CYS HA H 3.780 0.030 1 897 276 76 CYS HB2 H 2.861 0.030 2 898 276 76 CYS HB3 H 2.883 0.030 2 899 276 76 CYS C C 179.056 0.300 1 900 276 76 CYS CA C 56.540 0.300 1 901 276 76 CYS CB C 29.149 0.300 1 902 276 76 CYS N N 115.266 0.300 1 stop_ save_