data_16623 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The U-box domain of mus musculus E4B ; _BMRB_accession_number 16623 _BMRB_flat_file_name bmr16623.str _Entry_type original _Submission_date 2009-12-03 _Accession_date 2009-12-03 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'The U-box domain of mus musculus E4B' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nordquist Kyle . . 2 Soss Sarah . . 3 Chazin Walter . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 479 "13C chemical shifts" 210 "15N chemical shifts" 76 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-02 update BMRB 'edit entity/assembly name' 2010-01-28 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural and functional characterization of the monomeric U-box domain from E4B.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20017557 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nordquist Kyle A. . 2 Dimitrova Yoana N. . 3 Brzovic Peter S. . 4 Ridenour Whitney B. . 5 Munro Kim A. . 6 Soss Sarah E. . 7 Caprioli Richard M. . 8 Klevit Rachel E. . 9 Chazin Walter J. . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 49 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 347 _Page_last 355 _Year 2010 _Details . loop_ _Keyword 'E3 Ligase' E4B Ubiquitin U-box Ufd2 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name E4B _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label E4B $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common E4B _Molecular_mass 9779.069 _Mol_thiol_state 'not present' loop_ _Biological_function 'E2 conjugating enzyme interaction domain' 'E3 ubiquitin ligase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 85 _Mol_residue_sequence ; PGSAEIDYSDAPDEFRDPLM DTLMTDPVRLPSGTVMDRSI ILRHLLNSPTDPFNRQMLTE SMLEPVPELKEQIQAWMREK QSSDH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1089 PRO 2 1090 GLY 3 1091 SER 4 1092 ALA 5 1093 GLU 6 1094 ILE 7 1095 ASP 8 1096 TYR 9 1097 SER 10 1098 ASP 11 1099 ALA 12 1100 PRO 13 1101 ASP 14 1102 GLU 15 1103 PHE 16 1104 ARG 17 1105 ASP 18 1106 PRO 19 1107 LEU 20 1108 MET 21 1109 ASP 22 1110 THR 23 1111 LEU 24 1112 MET 25 1113 THR 26 1114 ASP 27 1115 PRO 28 1116 VAL 29 1117 ARG 30 1118 LEU 31 1119 PRO 32 1120 SER 33 1121 GLY 34 1122 THR 35 1123 VAL 36 1124 MET 37 1125 ASP 38 1126 ARG 39 1127 SER 40 1128 ILE 41 1129 ILE 42 1130 LEU 43 1131 ARG 44 1132 HIS 45 1133 LEU 46 1134 LEU 47 1135 ASN 48 1136 SER 49 1137 PRO 50 1138 THR 51 1139 ASP 52 1140 PRO 53 1141 PHE 54 1142 ASN 55 1143 ARG 56 1144 GLN 57 1145 MET 58 1146 LEU 59 1147 THR 60 1148 GLU 61 1149 SER 62 1150 MET 63 1151 LEU 64 1152 GLU 65 1153 PRO 66 1154 VAL 67 1155 PRO 68 1156 GLU 69 1157 LEU 70 1158 LYS 71 1159 GLU 72 1160 GLN 73 1161 ILE 74 1162 GLN 75 1163 ALA 76 1164 TRP 77 1165 MET 78 1166 ARG 79 1167 GLU 80 1168 LYS 81 1169 GLN 82 1170 SER 83 1171 SER 84 1172 ASP 85 1173 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-19 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2KR4 "U-Box Domain Of The E3 Ubiquitin Ligase E4b" 100.00 85 100.00 100.00 1.82e-53 DBJ BAC26672 "unnamed protein product [Mus musculus]" 96.47 1173 100.00 100.00 5.50e-47 DBJ BAC56586 "U-box-type ubiquitin ligase UFD2a [Mus musculus]" 96.47 1173 100.00 100.00 6.12e-47 DBJ BAC65627 "mKIAA0684 protein [Mus musculus]" 96.47 1186 100.00 100.00 6.08e-47 GB AAG17287 "ubiquitin fusion degradation protein 2 [Mus musculus]" 96.47 1173 100.00 100.00 6.43e-47 GB AAH67402 "Ubiquitination factor E4B, UFD2 homolog (S. cerevisiae) [Mus musculus]" 96.47 1173 100.00 100.00 5.77e-47 GB AAH75620 "Ubiquitination factor E4B, UFD2 homolog (S. cerevisiae) [Mus musculus]" 96.47 1173 100.00 100.00 5.24e-47 REF NP_001258127 "ubiquitin conjugation factor E4 B [Rattus norvegicus]" 96.47 1173 98.78 100.00 9.79e-47 REF NP_071305 "ubiquitin conjugation factor E4 B [Mus musculus]" 96.47 1173 100.00 100.00 5.24e-47 REF XP_005353748 "PREDICTED: ubiquitin conjugation factor E4 B isoform X2 [Microtus ochrogaster]" 96.47 1307 98.78 100.00 2.40e-46 REF XP_005353749 "PREDICTED: ubiquitin conjugation factor E4 B isoform X1 [Microtus ochrogaster]" 96.47 1173 98.78 100.00 1.12e-46 REF XP_006239449 "PREDICTED: ubiquitin conjugation factor E4 B isoform X1 [Rattus norvegicus]" 96.47 1388 98.78 100.00 2.13e-46 SP Q9ES00 "RecName: Full=Ubiquitin conjugation factor E4 B; AltName: Full=Ubiquitin fusion degradation protein 2" 96.47 1173 100.00 100.00 5.24e-47 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity Mouse 10090 Eukaryota Metazoa Mus musculus 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 _Details $entity 'recombinant technology' . Escherichia coli . pBG102 '6xHIS-SUMO tag with H3C protease cleavage site' 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 750 uM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 2009.015.15.35 loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2..1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version 9 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_602 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'Cryoprobe 5mm TXI-Z, #Z44866-0009' save_ save_800 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details ; 5mm CP-TCI-Z, #44909-0018, CP-TCI 800SG H-C/N-D-05-Z ; save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC _Saveframe_category NMR_applied_experiment _Experiment_name 2D_1H-15N_HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-1H NOESY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name E4B _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 1089 1 PRO HA H 4.456 0.000 . 2 1089 1 PRO HB2 H 2.299 0.000 . 3 1089 1 PRO HB3 H 2.299 0.000 . 4 1089 1 PRO HD2 H 3.566 0.001 . 5 1089 1 PRO HD3 H 3.566 0.001 . 6 1089 1 PRO HG2 H 2.015 0.000 . 7 1089 1 PRO HG3 H 2.015 0.000 . 8 1089 1 PRO CA C 63.575 0.000 . 9 1089 1 PRO CD C 49.709 0.000 . 10 1089 1 PRO CG C 27.195 0.000 . 11 1090 2 GLY H H 8.639 0.000 . 12 1090 2 GLY HA2 H 3.962 0.002 . 13 1090 2 GLY HA3 H 3.962 0.002 . 14 1090 2 GLY CA C 44.365 0.000 . 15 1090 2 GLY N N 110.206 0.000 . 16 1091 3 SER H H 8.128 0.001 . 17 1091 3 SER HA H 4.731 0.010 . 18 1091 3 SER HB2 H 3.916 0.000 . 19 1091 3 SER HB3 H 3.916 0.000 . 20 1091 3 SER CB C 63.095 0.000 . 21 1091 3 SER N N 115.614 0.010 . 22 1092 4 ALA H H 8.377 0.002 . 23 1092 4 ALA HA H 4.264 0.000 . 24 1092 4 ALA HB H 1.363 0.002 . 25 1092 4 ALA CA C 52.648 0.000 . 26 1092 4 ALA CB C 19.304 0.000 . 27 1092 4 ALA N N 125.743 0.006 . 28 1093 5 GLU H H 8.249 0.018 . 29 1093 5 GLU HA H 4.246 0.004 . 30 1093 5 GLU HB2 H 1.994 0.005 . 31 1093 5 GLU HB3 H 1.885 0.007 . 32 1093 5 GLU HG2 H 2.219 0.012 . 33 1093 5 GLU HG3 H 2.219 0.012 . 34 1093 5 GLU CA C 56.397 0.093 . 35 1093 5 GLU CB C 30.285 0.105 . 36 1093 5 GLU CG C 36.305 0.000 . 37 1093 5 GLU N N 120.000 0.026 . 38 1094 6 ILE H H 7.984 0.011 . 39 1094 6 ILE HA H 3.884 0.003 . 40 1094 6 ILE HB H 1.542 0.008 . 41 1094 6 ILE HD1 H 0.739 0.011 . 42 1094 6 ILE HG12 H 1.324 0.010 . 43 1094 6 ILE HG13 H 1.037 0.008 . 44 1094 6 ILE HG2 H 0.378 0.010 . 45 1094 6 ILE CA C 60.739 0.142 . 46 1094 6 ILE CB C 38.766 0.000 . 47 1094 6 ILE CD1 C 12.855 0.061 . 48 1094 6 ILE CG1 C 27.579 0.078 . 49 1094 6 ILE CG2 C 17.576 0.028 . 50 1094 6 ILE N N 122.648 0.027 . 51 1095 7 ASP H H 8.224 0.010 . 52 1095 7 ASP HA H 4.561 0.003 . 53 1095 7 ASP HB2 H 2.713 0.007 . 54 1095 7 ASP HB3 H 2.545 0.008 . 55 1095 7 ASP CA C 54.728 0.000 . 56 1095 7 ASP CB C 41.689 0.113 . 57 1095 7 ASP N N 125.098 0.008 . 58 1096 8 TYR H H 8.538 0.002 . 59 1096 8 TYR HA H 5.007 0.011 . 60 1096 8 TYR HB2 H 3.648 0.004 . 61 1096 8 TYR HB3 H 2.972 0.004 . 62 1096 8 TYR HD1 H 7.132 0.011 . 63 1096 8 TYR HD2 H 7.132 0.011 . 64 1096 8 TYR HE1 H 6.674 0.002 . 65 1096 8 TYR HE2 H 6.674 0.002 . 66 1096 8 TYR CA C 57.288 0.072 . 67 1096 8 TYR CB C 38.216 0.080 . 68 1096 8 TYR N N 122.892 0.039 . 69 1097 9 SER H H 8.674 0.001 . 70 1097 9 SER HA H 4.222 0.002 . 71 1097 9 SER HB2 H 4.012 0.010 . 72 1097 9 SER HB3 H 4.012 0.010 . 73 1097 9 SER CA C 61.538 0.026 . 74 1097 9 SER CB C 63.174 0.000 . 75 1097 9 SER N N 117.350 0.076 . 76 1098 10 ASP H H 8.807 0.001 . 77 1098 10 ASP HA H 4.634 0.004 . 78 1098 10 ASP HB2 H 2.959 0.001 . 79 1098 10 ASP HB3 H 2.654 0.006 . 80 1098 10 ASP CA C 53.104 0.222 . 81 1098 10 ASP CB C 39.344 0.040 . 82 1098 10 ASP N N 119.557 0.050 . 83 1099 11 ALA H H 7.650 0.004 . 84 1099 11 ALA HA H 3.811 0.006 . 85 1099 11 ALA HB H 1.001 0.004 . 86 1099 11 ALA CA C 50.891 0.021 . 87 1099 11 ALA CB C 17.951 0.067 . 88 1099 11 ALA N N 123.447 0.018 . 89 1100 12 PRO HA H 4.070 0.004 . 90 1100 12 PRO HB2 H 0.807 0.006 . 91 1100 12 PRO HB3 H 1.802 0.001 . 92 1100 12 PRO HD2 H 3.004 0.005 . 93 1100 12 PRO HD3 H 2.023 0.001 . 94 1100 12 PRO HG2 H 1.227 0.009 . 95 1100 12 PRO HG3 H 0.568 0.005 . 96 1100 12 PRO CA C 62.103 0.000 . 97 1100 12 PRO CB C 31.890 0.074 . 98 1100 12 PRO CD C 50.196 0.110 . 99 1100 12 PRO CG C 26.423 0.063 . 100 1101 13 ASP H H 8.360 0.005 . 101 1101 13 ASP HA H 3.948 0.006 . 102 1101 13 ASP HB2 H 2.568 0.006 . 103 1101 13 ASP HB3 H 2.418 0.003 . 104 1101 13 ASP CA C 58.167 0.108 . 105 1101 13 ASP CB C 40.562 0.108 . 106 1101 13 ASP N N 122.413 0.029 . 107 1102 14 GLU H H 9.225 0.013 . 108 1102 14 GLU HA H 4.114 0.005 . 109 1102 14 GLU HB2 H 2.034 0.000 . 110 1102 14 GLU HB3 H 1.974 0.000 . 111 1102 14 GLU HG2 H 2.188 0.002 . 112 1102 14 GLU HG3 H 2.188 0.002 . 113 1102 14 GLU CA C 58.105 0.104 . 114 1102 14 GLU CB C 29.349 0.023 . 115 1102 14 GLU CG C 36.220 0.000 . 116 1102 14 GLU N N 116.487 0.030 . 117 1103 15 PHE H H 7.614 0.004 . 118 1103 15 PHE HA H 4.700 0.001 . 119 1103 15 PHE HB2 H 3.335 0.006 . 120 1103 15 PHE HB3 H 2.723 0.006 . 121 1103 15 PHE HD1 H 6.309 0.004 . 122 1103 15 PHE HD2 H 6.309 0.004 . 123 1103 15 PHE HE1 H 6.905 0.007 . 124 1103 15 PHE HE2 H 6.905 0.007 . 125 1103 15 PHE HZ H 6.994 0.001 . 126 1103 15 PHE CB C 37.674 0.095 . 127 1103 15 PHE N N 114.965 0.068 . 128 1104 16 ARG H H 7.542 0.006 . 129 1104 16 ARG HA H 4.711 0.004 . 130 1104 16 ARG HB2 H 1.688 0.015 . 131 1104 16 ARG HB3 H 1.376 0.009 . 132 1104 16 ARG HD2 H 3.062 0.006 . 133 1104 16 ARG HD3 H 3.062 0.006 . 134 1104 16 ARG HG2 H 0.844 0.004 . 135 1104 16 ARG HG3 H 0.844 0.004 . 136 1104 16 ARG CB C 32.344 0.201 . 137 1104 16 ARG CD C 43.155 0.000 . 138 1104 16 ARG CG C 27.884 0.061 . 139 1104 16 ARG N N 118.825 0.056 . 140 1105 17 ASP H H 9.302 0.012 . 141 1105 17 ASP HA H 5.010 0.012 . 142 1105 17 ASP HB2 H 2.476 0.004 . 143 1105 17 ASP HB3 H 2.476 0.004 . 144 1105 17 ASP CA C 52.286 0.000 . 145 1105 17 ASP CB C 46.968 0.079 . 146 1105 17 ASP N N 125.899 0.028 . 147 1106 18 PRO HA H 4.510 0.004 . 148 1106 18 PRO HB2 H 2.288 0.009 . 149 1106 18 PRO HB3 H 1.871 0.012 . 150 1106 18 PRO HD2 H 4.203 0.008 . 151 1106 18 PRO HD3 H 4.078 0.002 . 152 1106 18 PRO HG2 H 2.099 0.001 . 153 1106 18 PRO HG3 H 2.099 0.001 . 154 1106 18 PRO CA C 64.935 0.153 . 155 1106 18 PRO CB C 31.635 0.003 . 156 1106 18 PRO CD C 52.246 0.056 . 157 1106 18 PRO CG C 27.960 0.000 . 158 1107 19 LEU H H 9.275 0.002 . 159 1107 19 LEU HA H 4.654 0.006 . 160 1107 19 LEU HB2 H 2.070 0.003 . 161 1107 19 LEU HB3 H 1.444 0.003 . 162 1107 19 LEU HD1 H 0.653 0.003 . 163 1107 19 LEU HD2 H 0.645 0.000 . 164 1107 19 LEU HG H 1.467 0.000 . 165 1107 19 LEU CB C 44.079 0.116 . 166 1107 19 LEU CD1 C 23.793 0.000 . 167 1107 19 LEU CG C 27.120 0.000 . 168 1107 19 LEU N N 122.714 0.016 . 169 1108 20 MET H H 9.602 0.074 . 170 1108 20 MET HA H 4.751 0.010 . 171 1108 20 MET HB2 H 2.380 0.005 . 172 1108 20 MET HB3 H 1.980 0.027 . 173 1108 20 MET HG2 H 2.733 0.005 . 174 1108 20 MET HG3 H 2.733 0.005 . 175 1108 20 MET CB C 33.555 0.155 . 176 1108 20 MET CG C 33.494 0.058 . 177 1108 20 MET N N 116.375 0.042 . 178 1109 21 ASP H H 8.604 0.001 . 179 1109 21 ASP HA H 4.639 0.003 . 180 1109 21 ASP HB2 H 3.142 0.010 . 181 1109 21 ASP HB3 H 2.432 0.009 . 182 1109 21 ASP CB C 41.032 0.067 . 183 1109 21 ASP N N 118.697 0.022 . 184 1110 22 THR H H 6.920 0.009 . 185 1110 22 THR HA H 4.391 0.002 . 186 1110 22 THR HB H 4.139 0.002 . 187 1110 22 THR HG2 H 1.119 0.003 . 188 1110 22 THR CA C 58.999 0.052 . 189 1110 22 THR CB C 70.257 0.029 . 190 1110 22 THR CG2 C 22.436 0.000 . 191 1110 22 THR N N 105.517 0.023 . 192 1111 23 LEU H H 8.418 0.018 . 193 1111 23 LEU HA H 4.069 0.007 . 194 1111 23 LEU HB2 H 1.590 0.003 . 195 1111 23 LEU HB3 H 1.326 0.003 . 196 1111 23 LEU HD1 H 0.865 0.000 . 197 1111 23 LEU HG H 0.713 0.000 . 198 1111 23 LEU CA C 56.781 0.000 . 199 1111 23 LEU CB C 42.441 0.068 . 200 1111 23 LEU CD1 C 24.990 0.000 . 201 1111 23 LEU CG C 25.550 0.000 . 202 1111 23 LEU N N 122.956 0.011 . 203 1112 24 MET H H 8.784 0.008 . 204 1112 24 MET HA H 4.168 0.008 . 205 1112 24 MET HB2 H 1.384 0.006 . 206 1112 24 MET HB3 H 2.073 0.005 . 207 1112 24 MET HE H 1.803 0.003 . 208 1112 24 MET HG2 H 2.629 0.000 . 209 1112 24 MET HG3 H 2.201 0.008 . 210 1112 24 MET CB C 35.413 0.017 . 211 1112 24 MET CG C 33.269 0.007 . 212 1112 24 MET N N 127.712 0.075 . 213 1113 25 THR H H 8.013 0.008 . 214 1113 25 THR HA H 4.397 0.003 . 215 1113 25 THR HB H 4.206 0.004 . 216 1113 25 THR HG2 H 1.139 0.002 . 217 1113 25 THR CA C 62.185 0.000 . 218 1113 25 THR CB C 70.070 0.209 . 219 1113 25 THR CG2 C 21.818 0.000 . 220 1113 25 THR N N 108.684 0.030 . 221 1114 26 ASP H H 8.672 0.001 . 222 1114 26 ASP HA H 5.018 0.006 . 223 1114 26 ASP HB2 H 3.024 0.008 . 224 1114 26 ASP HB3 H 2.407 0.002 . 225 1114 26 ASP CB C 41.309 0.193 . 226 1114 26 ASP N N 121.296 0.057 . 227 1115 27 PRO HA H 4.787 0.006 . 228 1115 27 PRO HB2 H 2.132 0.004 . 229 1115 27 PRO HB3 H 1.743 0.013 . 230 1115 27 PRO HD2 H 3.622 0.007 . 231 1115 27 PRO HD3 H 3.157 0.003 . 232 1115 27 PRO HG2 H 1.564 0.010 . 233 1115 27 PRO HG3 H 1.564 0.010 . 234 1115 27 PRO CB C 33.217 0.218 . 235 1115 27 PRO CD C 49.391 0.040 . 236 1115 27 PRO CG C 27.639 0.067 . 237 1116 28 VAL H H 9.674 0.004 . 238 1116 28 VAL HA H 5.021 0.004 . 239 1116 28 VAL HB H 1.746 0.005 . 240 1116 28 VAL HG1 H 0.842 0.047 . 241 1116 28 VAL HG2 H 0.783 0.008 . 242 1116 28 VAL CA C 58.530 0.108 . 243 1116 28 VAL CB C 35.602 0.013 . 244 1116 28 VAL CG1 C 21.128 0.000 . 245 1116 28 VAL CG2 C 19.305 0.122 . 246 1116 28 VAL N N 117.416 0.051 . 247 1117 29 ARG H H 9.782 0.012 . 248 1117 29 ARG HA H 4.868 0.031 . 249 1117 29 ARG HB2 H 1.754 0.007 . 250 1117 29 ARG HB3 H 1.435 0.011 . 251 1117 29 ARG HD2 H 3.193 0.013 . 252 1117 29 ARG HD3 H 3.193 0.013 . 253 1117 29 ARG HG2 H 1.810 0.000 . 254 1117 29 ARG HG3 H 1.298 0.018 . 255 1117 29 ARG CA C 54.591 0.000 . 256 1117 29 ARG CB C 33.058 0.206 . 257 1117 29 ARG CD C 43.599 0.106 . 258 1117 29 ARG CG C 27.572 0.053 . 259 1117 29 ARG N N 122.897 0.038 . 260 1118 30 LEU H H 8.934 0.006 . 261 1118 30 LEU HA H 4.508 0.005 . 262 1118 30 LEU HB2 H 2.274 0.008 . 263 1118 30 LEU HB3 H 1.647 0.005 . 264 1118 30 LEU HD1 H 0.897 0.002 . 265 1118 30 LEU CA C 55.279 0.036 . 266 1118 30 LEU CB C 40.124 0.119 . 267 1118 30 LEU N N 130.504 0.011 . 268 1119 31 PRO HA H 4.296 0.006 . 269 1119 31 PRO HB2 H 2.447 0.000 . 270 1119 31 PRO HB3 H 1.989 0.000 . 271 1119 31 PRO HD2 H 3.966 0.004 . 272 1119 31 PRO HD3 H 3.615 0.009 . 273 1119 31 PRO HG2 H 2.127 0.000 . 274 1119 31 PRO HG3 H 2.369 0.002 . 275 1119 31 PRO CA C 64.942 0.093 . 276 1119 31 PRO CB C 32.177 0.032 . 277 1119 31 PRO CD C 50.430 0.118 . 278 1119 31 PRO CG C 28.795 0.057 . 279 1120 32 SER H H 8.050 0.006 . 280 1120 32 SER HA H 4.126 0.004 . 281 1120 32 SER HB2 H 3.941 0.010 . 282 1120 32 SER HB3 H 3.941 0.010 . 283 1120 32 SER CB C 64.807 0.000 . 284 1120 32 SER N N 109.704 0.037 . 285 1121 33 GLY H H 8.594 0.002 . 286 1121 33 GLY HA2 H 4.522 0.007 . 287 1121 33 GLY HA3 H 3.425 0.003 . 288 1121 33 GLY CA C 44.701 0.024 . 289 1121 33 GLY N N 111.835 0.009 . 290 1122 34 THR H H 7.346 0.009 . 291 1122 34 THR HA H 3.903 0.007 . 292 1122 34 THR HB H 3.649 0.006 . 293 1122 34 THR HG2 H 0.909 0.001 . 294 1122 34 THR CA C 63.893 0.072 . 295 1122 34 THR CB C 69.571 0.256 . 296 1122 34 THR CG2 C 22.565 0.084 . 297 1122 34 THR N N 119.145 0.034 . 298 1123 35 VAL H H 8.256 0.005 . 299 1123 35 VAL HA H 5.048 0.006 . 300 1123 35 VAL HB H 1.831 0.000 . 301 1123 35 VAL HG1 H 0.749 0.021 . 302 1123 35 VAL HG2 H 0.904 0.005 . 303 1123 35 VAL N N 128.368 0.036 . 304 1124 36 MET H H 9.034 0.006 . 305 1124 36 MET HA H 4.920 0.004 . 306 1124 36 MET HB2 H 2.491 0.009 . 307 1124 36 MET HB3 H 1.535 0.004 . 308 1124 36 MET HE H 1.808 0.000 . 309 1124 36 MET HG2 H 2.224 0.014 . 310 1124 36 MET HG3 H 2.224 0.014 . 311 1124 36 MET CB C 38.661 0.025 . 312 1124 36 MET N N 123.216 0.027 . 313 1125 37 ASP H H 10.015 0.006 . 314 1125 37 ASP HA H 4.182 0.005 . 315 1125 37 ASP HB2 H 2.668 0.009 . 316 1125 37 ASP HB3 H 2.570 0.007 . 317 1125 37 ASP CB C 43.966 0.065 . 318 1125 37 ASP N N 120.553 0.049 . 319 1126 38 ARG H H 8.977 0.006 . 320 1126 38 ARG HA H 3.711 0.005 . 321 1126 38 ARG HB2 H 2.256 0.025 . 322 1126 38 ARG HB3 H 1.847 0.012 . 323 1126 38 ARG HD2 H 3.328 0.005 . 324 1126 38 ARG HD3 H 3.055 0.013 . 325 1126 38 ARG HG2 H 1.489 0.011 . 326 1126 38 ARG HG3 H 1.277 0.012 . 327 1126 38 ARG CA C 60.751 0.000 . 328 1126 38 ARG CB C 31.656 0.051 . 329 1126 38 ARG CD C 43.132 0.097 . 330 1126 38 ARG CG C 27.801 0.175 . 331 1126 38 ARG N N 128.530 0.048 . 332 1127 39 SER H H 8.849 0.004 . 333 1127 39 SER HA H 3.965 0.014 . 334 1127 39 SER HB2 H 3.829 0.003 . 335 1127 39 SER HB3 H 3.829 0.003 . 336 1127 39 SER CA C 61.502 0.000 . 337 1127 39 SER CB C 62.579 0.000 . 338 1127 39 SER N N 110.485 0.018 . 339 1128 40 ILE H H 7.025 0.007 . 340 1128 40 ILE HA H 3.783 0.010 . 341 1128 40 ILE HB H 2.167 0.012 . 342 1128 40 ILE HD1 H 0.832 0.006 . 343 1128 40 ILE HG12 H 1.639 0.014 . 344 1128 40 ILE HG13 H 1.247 0.006 . 345 1128 40 ILE HG2 H 1.002 0.011 . 346 1128 40 ILE CA C 64.010 0.063 . 347 1128 40 ILE CB C 37.319 0.225 . 348 1128 40 ILE CD1 C 12.060 0.123 . 349 1128 40 ILE CG1 C 28.773 0.025 . 350 1128 40 ILE CG2 C 18.006 0.148 . 351 1128 40 ILE N N 122.380 0.047 . 352 1129 41 ILE H H 8.055 0.003 . 353 1129 41 ILE HA H 4.536 0.010 . 354 1129 41 ILE HB H 2.138 0.006 . 355 1129 41 ILE HD1 H 1.094 0.012 . 356 1129 41 ILE HG12 H 1.411 0.003 . 357 1129 41 ILE HG13 H 1.296 0.024 . 358 1129 41 ILE HG2 H 1.115 0.003 . 359 1129 41 ILE CA C 60.043 0.013 . 360 1129 41 ILE CB C 36.986 0.166 . 361 1129 41 ILE CD1 C 14.248 0.007 . 362 1129 41 ILE CG1 C 30.515 0.198 . 363 1129 41 ILE CG2 C 21.110 0.000 . 364 1129 41 ILE N N 119.282 0.040 . 365 1130 42 LEU H H 8.575 0.004 . 366 1130 42 LEU HA H 4.052 0.008 . 367 1130 42 LEU HB2 H 1.813 0.012 . 368 1130 42 LEU HB3 H 1.408 0.002 . 369 1130 42 LEU HD1 H 0.802 0.010 . 370 1130 42 LEU HD2 H 0.812 0.001 . 371 1130 42 LEU HG H 1.859 0.006 . 372 1130 42 LEU CA C 58.703 0.022 . 373 1130 42 LEU CB C 40.738 0.103 . 374 1130 42 LEU CD1 C 22.489 0.043 . 375 1130 42 LEU CG C 26.764 0.061 . 376 1130 42 LEU N N 123.315 0.024 . 377 1131 43 ARG H H 7.278 0.001 . 378 1131 43 ARG HA H 4.041 0.007 . 379 1131 43 ARG HB2 H 1.982 0.006 . 380 1131 43 ARG HB3 H 1.793 0.004 . 381 1131 43 ARG HD2 H 3.213 0.008 . 382 1131 43 ARG HD3 H 3.213 0.008 . 383 1131 43 ARG HG2 H 1.650 0.005 . 384 1131 43 ARG HG3 H 1.650 0.005 . 385 1131 43 ARG CB C 29.936 0.000 . 386 1131 43 ARG CD C 43.657 0.018 . 387 1131 43 ARG CG C 27.615 0.198 . 388 1131 43 ARG N N 118.110 0.012 . 389 1132 44 HIS H H 7.679 0.005 . 390 1132 44 HIS HA H 4.301 0.003 . 391 1132 44 HIS HB2 H 3.490 0.009 . 392 1132 44 HIS HB3 H 2.988 0.006 . 393 1132 44 HIS CA C 60.820 0.130 . 394 1132 44 HIS CB C 30.649 0.051 . 395 1132 44 HIS N N 120.192 0.031 . 396 1133 45 LEU H H 8.462 0.003 . 397 1133 45 LEU HA H 4.574 0.006 . 398 1133 45 LEU HB2 H 1.930 0.002 . 399 1133 45 LEU HB3 H 1.420 0.005 . 400 1133 45 LEU HD1 H 0.984 0.007 . 401 1133 45 LEU HD2 H 0.715 0.002 . 402 1133 45 LEU HG H 2.026 0.004 . 403 1133 45 LEU CB C 42.026 0.079 . 404 1133 45 LEU CD1 C 23.755 0.000 . 405 1133 45 LEU CG C 27.219 0.047 . 406 1133 45 LEU N N 118.413 0.014 . 407 1134 46 LEU H H 7.249 0.008 . 408 1134 46 LEU HA H 4.029 0.013 . 409 1134 46 LEU HB2 H 1.788 0.007 . 410 1134 46 LEU HB3 H 1.464 0.008 . 411 1134 46 LEU HD1 H 0.885 0.013 . 412 1134 46 LEU HG H 1.851 0.001 . 413 1134 46 LEU CA C 59.081 0.000 . 414 1134 46 LEU CB C 42.169 0.101 . 415 1134 46 LEU CD1 C 23.202 0.000 . 416 1134 46 LEU CG C 25.986 0.351 . 417 1134 46 LEU N N 117.954 0.034 . 418 1135 47 ASN H H 7.370 0.002 . 419 1135 47 ASN HB2 H 2.703 0.003 . 420 1135 47 ASN HB3 H 2.703 0.003 . 421 1135 47 ASN CB C 40.797 0.007 . 422 1135 47 ASN N N 113.858 0.026 . 423 1136 48 SER H H 7.795 0.009 . 424 1136 48 SER HA H 4.747 0.005 . 425 1136 48 SER HB2 H 3.485 0.005 . 426 1136 48 SER HB3 H 3.083 0.004 . 427 1136 48 SER CB C 64.339 0.053 . 428 1136 48 SER N N 114.643 0.035 . 429 1137 49 PRO HA H 5.024 0.003 . 430 1137 49 PRO HB2 H 2.507 0.002 . 431 1137 49 PRO HB3 H 1.912 0.021 . 432 1137 49 PRO HD2 H 3.686 0.003 . 433 1137 49 PRO HD3 H 3.590 0.000 . 434 1137 49 PRO HG2 H 2.063 0.001 . 435 1137 49 PRO HG3 H 2.063 0.001 . 436 1137 49 PRO CB C 27.867 0.242 . 437 1137 49 PRO CD C 50.211 0.137 . 438 1138 50 THR H H 8.574 0.003 . 439 1138 50 THR HA H 5.083 0.003 . 440 1138 50 THR HB H 3.712 0.007 . 441 1138 50 THR HG2 H 0.868 0.005 . 442 1138 50 THR CA C 59.192 0.147 . 443 1138 50 THR CB C 73.675 0.169 . 444 1138 50 THR CG2 C 22.270 0.000 . 445 1138 50 THR N N 111.868 0.021 . 446 1139 51 ASP H H 8.684 0.014 . 447 1139 51 ASP HA H 4.525 0.003 . 448 1139 51 ASP HB2 H 3.258 0.014 . 449 1139 51 ASP HB3 H 2.363 0.006 . 450 1139 51 ASP CA C 51.513 0.089 . 451 1139 51 ASP CB C 43.180 0.121 . 452 1139 51 ASP N N 122.617 0.021 . 453 1140 52 PRO HA H 3.846 0.002 . 454 1140 52 PRO HB2 H 0.920 0.006 . 455 1140 52 PRO HB3 H 0.702 0.008 . 456 1140 52 PRO HD2 H 3.502 0.005 . 457 1140 52 PRO HD3 H 3.283 0.004 . 458 1140 52 PRO HG2 H 1.100 0.009 . 459 1140 52 PRO HG3 H 0.679 0.000 . 460 1140 52 PRO CA C 63.640 0.050 . 461 1140 52 PRO CB C 30.709 0.180 . 462 1140 52 PRO CD C 50.089 0.043 . 463 1140 52 PRO CG C 25.804 0.007 . 464 1141 53 PHE H H 9.160 0.004 . 465 1141 53 PHE HA H 4.496 0.007 . 466 1141 53 PHE HB2 H 3.101 0.013 . 467 1141 53 PHE HB3 H 3.101 0.013 . 468 1141 53 PHE HD1 H 7.267 0.002 . 469 1141 53 PHE HD2 H 7.267 0.002 . 470 1141 53 PHE HE1 H 7.317 0.002 . 471 1141 53 PHE HE2 H 7.317 0.002 . 472 1141 53 PHE HZ H 6.809 0.002 . 473 1141 53 PHE CA C 59.744 0.000 . 474 1141 53 PHE CB C 38.968 0.031 . 475 1141 53 PHE N N 117.115 0.030 . 476 1142 54 ASN H H 8.436 0.002 . 477 1142 54 ASN HA H 4.846 0.012 . 478 1142 54 ASN HB2 H 3.201 0.004 . 479 1142 54 ASN HB3 H 2.624 0.008 . 480 1142 54 ASN CA C 52.080 0.148 . 481 1142 54 ASN CB C 39.276 0.074 . 482 1142 54 ASN N N 116.621 0.017 . 483 1143 55 ARG H H 8.088 0.004 . 484 1143 55 ARG HA H 3.971 0.009 . 485 1143 55 ARG HB2 H 2.057 0.005 . 486 1143 55 ARG HB3 H 1.503 0.006 . 487 1143 55 ARG HD2 H 3.131 0.003 . 488 1143 55 ARG HD3 H 3.131 0.003 . 489 1143 55 ARG HG2 H 1.509 0.008 . 490 1143 55 ARG HG3 H 1.509 0.008 . 491 1143 55 ARG CA C 58.925 0.037 . 492 1143 55 ARG CB C 27.608 0.198 . 493 1143 55 ARG CD C 43.067 0.000 . 494 1143 55 ARG CG C 27.784 0.063 . 495 1143 55 ARG N N 113.377 0.020 . 496 1144 56 GLN H H 8.201 0.010 . 497 1144 56 GLN HA H 4.279 0.034 . 498 1144 56 GLN HB2 H 2.085 0.015 . 499 1144 56 GLN HB3 H 2.085 0.015 . 500 1144 56 GLN HG2 H 2.407 0.000 . 501 1144 56 GLN HG3 H 2.329 0.019 . 502 1144 56 GLN CA C 55.891 0.000 . 503 1144 56 GLN CB C 29.195 0.000 . 504 1144 56 GLN CG C 35.703 0.000 . 505 1144 56 GLN N N 118.754 0.041 . 506 1145 57 MET H H 8.387 0.001 . 507 1145 57 MET HA H 4.371 0.011 . 508 1145 57 MET HB2 H 2.127 0.000 . 509 1145 57 MET HB3 H 1.976 0.001 . 510 1145 57 MET HG2 H 2.635 0.024 . 511 1145 57 MET HG3 H 2.500 0.030 . 512 1145 57 MET N N 121.094 0.003 . 513 1146 58 LEU H H 7.832 0.010 . 514 1146 58 LEU HA H 4.865 0.013 . 515 1146 58 LEU HB2 H 1.350 0.018 . 516 1146 58 LEU HB3 H 1.240 0.014 . 517 1146 58 LEU HD1 H 1.118 0.008 . 518 1146 58 LEU HD2 H 1.155 0.000 . 519 1146 58 LEU HG H 0.930 0.012 . 520 1146 58 LEU CB C 46.173 0.042 . 521 1146 58 LEU CD1 C 25.150 0.000 . 522 1146 58 LEU N N 127.415 0.037 . 523 1147 59 THR H H 7.339 0.006 . 524 1147 59 THR HA H 4.698 0.020 . 525 1147 59 THR HB H 4.506 0.005 . 526 1147 59 THR HG2 H 1.137 0.019 . 527 1147 59 THR CB C 71.328 0.250 . 528 1147 59 THR N N 112.465 0.029 . 529 1148 60 GLU H H 9.176 0.006 . 530 1148 60 GLU HA H 3.689 0.002 . 531 1148 60 GLU HB2 H 2.009 0.017 . 532 1148 60 GLU HB3 H 2.009 0.017 . 533 1148 60 GLU HG2 H 2.193 0.008 . 534 1148 60 GLU HG3 H 2.193 0.008 . 535 1148 60 GLU CA C 59.662 0.113 . 536 1148 60 GLU CB C 29.011 0.000 . 537 1148 60 GLU CG C 36.302 0.073 . 538 1148 60 GLU N N 121.368 0.033 . 539 1149 61 SER H H 8.140 0.010 . 540 1149 61 SER HA H 4.235 0.000 . 541 1149 61 SER HB2 H 3.908 0.011 . 542 1149 61 SER HB3 H 3.908 0.011 . 543 1149 61 SER N N 113.133 0.017 . 544 1150 62 MET H H 7.603 0.007 . 545 1150 62 MET HA H 4.304 0.009 . 546 1150 62 MET HB2 H 2.346 0.003 . 547 1150 62 MET HB3 H 2.127 0.000 . 548 1150 62 MET HG2 H 2.688 0.023 . 549 1150 62 MET HG3 H 2.688 0.023 . 550 1150 62 MET CA C 56.357 0.000 . 551 1150 62 MET CB C 33.124 0.000 . 552 1150 62 MET CG C 32.409 0.188 . 553 1150 62 MET N N 118.791 0.024 . 554 1151 63 LEU H H 7.214 0.007 . 555 1151 63 LEU HA H 4.294 0.005 . 556 1151 63 LEU HB2 H 2.022 0.002 . 557 1151 63 LEU HB3 H 0.964 0.017 . 558 1151 63 LEU HD1 H 0.822 0.004 . 559 1151 63 LEU HD2 H 0.862 0.000 . 560 1151 63 LEU HG H 0.895 0.002 . 561 1151 63 LEU CA C 54.871 0.051 . 562 1151 63 LEU CB C 41.941 0.084 . 563 1151 63 LEU CD1 C 23.496 0.000 . 564 1151 63 LEU CG C 25.867 0.000 . 565 1151 63 LEU N N 117.130 0.023 . 566 1152 64 GLU H H 8.116 0.006 . 567 1152 64 GLU HA H 5.077 0.005 . 568 1152 64 GLU HB2 H 1.918 0.006 . 569 1152 64 GLU HB3 H 2.120 0.005 . 570 1152 64 GLU HG2 H 2.297 0.008 . 571 1152 64 GLU HG3 H 2.297 0.008 . 572 1152 64 GLU CA C 52.851 0.125 . 573 1152 64 GLU CB C 32.615 0.132 . 574 1152 64 GLU N N 123.379 0.045 . 575 1153 65 PRO HA H 4.634 0.000 . 576 1153 65 PRO HB2 H 2.407 0.005 . 577 1153 65 PRO HB3 H 1.935 0.005 . 578 1153 65 PRO HD2 H 3.929 0.004 . 579 1153 65 PRO HD3 H 3.810 0.005 . 580 1153 65 PRO HG2 H 2.122 0.003 . 581 1153 65 PRO HG3 H 2.122 0.003 . 582 1153 65 PRO CB C 33.100 0.007 . 583 1153 65 PRO CD C 50.801 0.032 . 584 1154 66 VAL H H 7.439 0.002 . 585 1154 66 VAL HA H 4.637 0.013 . 586 1154 66 VAL HB H 2.114 0.004 . 587 1154 66 VAL HG1 H 0.985 0.005 . 588 1154 66 VAL HG2 H 0.889 0.002 . 589 1154 66 VAL CB C 30.784 0.225 . 590 1154 66 VAL N N 119.102 0.022 . 591 1155 67 PRO HA H 4.290 0.007 . 592 1155 67 PRO HB2 H 2.365 0.004 . 593 1155 67 PRO HB3 H 2.038 0.008 . 594 1155 67 PRO HD2 H 3.352 0.003 . 595 1155 67 PRO HD3 H 3.969 0.015 . 596 1155 67 PRO HG2 H 2.096 0.000 . 597 1155 67 PRO HG3 H 2.025 0.000 . 598 1155 67 PRO CA C 65.439 0.000 . 599 1155 67 PRO CB C 31.745 0.132 . 600 1155 67 PRO CD C 50.980 0.173 . 601 1155 67 PRO CG C 27.386 0.045 . 602 1156 68 GLU H H 9.729 0.010 . 603 1156 68 GLU HA H 4.130 0.002 . 604 1156 68 GLU HB2 H 2.011 0.005 . 605 1156 68 GLU HB3 H 2.011 0.005 . 606 1156 68 GLU HG2 H 2.330 0.002 . 607 1156 68 GLU HG3 H 2.330 0.002 . 608 1156 68 GLU CA C 59.652 0.038 . 609 1156 68 GLU CB C 28.105 0.000 . 610 1156 68 GLU CG C 36.286 0.000 . 611 1156 68 GLU N N 119.049 0.040 . 612 1157 69 LEU H H 6.791 0.006 . 613 1157 69 LEU HA H 4.379 0.017 . 614 1157 69 LEU HB2 H 1.717 0.002 . 615 1157 69 LEU HB3 H 1.622 0.006 . 616 1157 69 LEU HD1 H 1.023 0.001 . 617 1157 69 LEU HG H 0.991 0.006 . 618 1157 69 LEU CA C 56.605 0.057 . 619 1157 69 LEU CB C 42.215 0.031 . 620 1157 69 LEU CD1 C 22.573 0.000 . 621 1157 69 LEU CG C 24.988 0.175 . 622 1157 69 LEU N N 120.684 0.033 . 623 1158 70 LYS H H 7.727 0.004 . 624 1158 70 LYS HA H 3.547 0.014 . 625 1158 70 LYS HB2 H 2.140 0.000 . 626 1158 70 LYS HB3 H 1.823 0.003 . 627 1158 70 LYS HG2 H 1.533 0.013 . 628 1158 70 LYS HG3 H 1.392 0.016 . 629 1158 70 LYS CA C 60.831 0.138 . 630 1158 70 LYS CB C 33.132 0.243 . 631 1158 70 LYS CG C 25.237 0.106 . 632 1158 70 LYS N N 120.007 0.041 . 633 1159 71 GLU H H 8.055 0.008 . 634 1159 71 GLU HA H 4.059 0.006 . 635 1159 71 GLU HB2 H 2.078 0.005 . 636 1159 71 GLU HB3 H 2.078 0.005 . 637 1159 71 GLU CB C 29.306 0.000 . 638 1159 71 GLU N N 116.323 0.071 . 639 1160 72 GLN H H 7.525 0.010 . 640 1160 72 GLN HA H 4.109 0.002 . 641 1160 72 GLN HB2 H 2.302 0.000 . 642 1160 72 GLN HB3 H 2.212 0.005 . 643 1160 72 GLN HG2 H 2.696 0.009 . 644 1160 72 GLN HG3 H 2.456 0.015 . 645 1160 72 GLN CA C 59.192 0.036 . 646 1160 72 GLN CB C 29.152 0.101 . 647 1160 72 GLN CG C 34.232 0.060 . 648 1160 72 GLN N N 120.339 0.025 . 649 1161 73 ILE H H 8.251 0.002 . 650 1161 73 ILE HA H 2.874 0.005 . 651 1161 73 ILE HB H 1.558 0.003 . 652 1161 73 ILE HD1 H 0.587 0.012 . 653 1161 73 ILE HG12 H 0.916 0.009 . 654 1161 73 ILE HG13 H -0.596 0.013 . 655 1161 73 ILE HG2 H 0.849 0.004 . 656 1161 73 ILE CA C 66.007 0.168 . 657 1161 73 ILE CB C 38.206 0.143 . 658 1161 73 ILE CD1 C 14.351 0.086 . 659 1161 73 ILE CG1 C 28.430 0.034 . 660 1161 73 ILE N N 122.210 0.043 . 661 1162 74 GLN H H 8.261 0.004 . 662 1162 74 GLN HA H 3.990 0.009 . 663 1162 74 GLN HB2 H 2.163 0.012 . 664 1162 74 GLN HB3 H 2.163 0.012 . 665 1162 74 GLN HG2 H 2.623 0.002 . 666 1162 74 GLN HG3 H 2.404 0.007 . 667 1162 74 GLN CA C 59.324 0.000 . 668 1162 74 GLN CB C 28.151 0.000 . 669 1162 74 GLN CG C 34.572 0.046 . 670 1162 74 GLN N N 118.104 0.019 . 671 1163 75 ALA H H 8.260 0.016 . 672 1163 75 ALA HA H 4.085 0.008 . 673 1163 75 ALA HB H 1.573 0.003 . 674 1163 75 ALA CA C 55.577 0.000 . 675 1163 75 ALA CB C 18.113 0.000 . 676 1163 75 ALA N N 122.129 0.054 . 677 1164 76 TRP H H 8.116 0.003 . 678 1164 76 TRP HA H 4.268 0.003 . 679 1164 76 TRP HB2 H 3.753 0.005 . 680 1164 76 TRP HB3 H 3.552 0.003 . 681 1164 76 TRP HE3 H 7.540 0.002 . 682 1164 76 TRP HH2 H 7.298 0.002 . 683 1164 76 TRP HZ2 H 7.416 0.002 . 684 1164 76 TRP HZ3 H 7.065 0.002 . 685 1164 76 TRP CA C 62.112 0.176 . 686 1164 76 TRP CB C 29.272 0.023 . 687 1164 76 TRP N N 122.036 0.027 . 688 1165 77 MET H H 8.863 0.003 . 689 1165 77 MET HA H 3.580 0.010 . 690 1165 77 MET HB2 H 2.146 0.001 . 691 1165 77 MET HB3 H 2.146 0.001 . 692 1165 77 MET HG2 H 3.000 0.005 . 693 1165 77 MET HG3 H 2.273 0.014 . 694 1165 77 MET CA C 59.805 0.040 . 695 1165 77 MET CB C 33.615 0.000 . 696 1165 77 MET CG C 32.594 0.000 . 697 1165 77 MET N N 117.851 0.029 . 698 1166 78 ARG H H 8.006 0.007 . 699 1166 78 ARG HA H 3.987 0.005 . 700 1166 78 ARG HB2 H 1.953 0.016 . 701 1166 78 ARG HB3 H 1.953 0.016 . 702 1166 78 ARG HD2 H 3.212 0.011 . 703 1166 78 ARG HD3 H 3.212 0.011 . 704 1166 78 ARG HG2 H 1.041 0.000 . 705 1166 78 ARG HG3 H 1.041 0.000 . 706 1166 78 ARG CA C 59.177 0.000 . 707 1166 78 ARG CB C 30.286 0.000 . 708 1166 78 ARG CG C 27.592 0.000 . 709 1166 78 ARG N N 118.609 0.023 . 710 1167 79 GLU H H 7.733 0.012 . 711 1167 79 GLU HA H 4.023 0.010 . 712 1167 79 GLU HB2 H 2.041 0.005 . 713 1167 79 GLU HB3 H 2.041 0.005 . 714 1167 79 GLU HG3 H 2.249 0.000 . 715 1167 79 GLU CA C 59.161 0.000 . 716 1167 79 GLU CB C 28.801 0.000 . 717 1167 79 GLU CG C 36.235 0.000 . 718 1167 79 GLU N N 119.999 0.006 . 719 1168 80 LYS H H 7.608 0.003 . 720 1168 80 LYS HA H 3.892 0.007 . 721 1168 80 LYS HB2 H 1.558 0.001 . 722 1168 80 LYS HB3 H 1.494 0.019 . 723 1168 80 LYS HD2 H 1.259 0.002 . 724 1168 80 LYS HD3 H 1.259 0.002 . 725 1168 80 LYS HE2 H 2.717 0.000 . 726 1168 80 LYS HE3 H 2.586 0.000 . 727 1168 80 LYS HG2 H 0.825 0.011 . 728 1168 80 LYS HG3 H 0.553 0.017 . 729 1168 80 LYS CA C 56.762 0.101 . 730 1168 80 LYS CB C 31.546 0.035 . 731 1168 80 LYS CD C 28.253 0.000 . 732 1168 80 LYS CE C 41.978 0.085 . 733 1168 80 LYS CG C 23.389 0.027 . 734 1168 80 LYS N N 118.900 0.057 . 735 1169 81 GLN H H 7.678 0.009 . 736 1169 81 GLN HA H 4.117 0.011 . 737 1169 81 GLN HB2 H 2.138 0.025 . 738 1169 81 GLN HB3 H 2.058 0.013 . 739 1169 81 GLN HG2 H 2.395 0.000 . 740 1169 81 GLN HG3 H 2.395 0.000 . 741 1169 81 GLN CA C 56.899 0.000 . 742 1169 81 GLN CB C 29.215 0.041 . 743 1169 81 GLN N N 116.840 0.008 . 744 1170 82 SER H H 7.791 0.001 . 745 1170 82 SER HA H 4.431 0.013 . 746 1170 82 SER HB2 H 3.869 0.021 . 747 1170 82 SER HB3 H 3.869 0.021 . 748 1170 82 SER CA C 58.679 0.133 . 749 1170 82 SER N N 114.774 0.079 . 750 1171 83 SER H H 8.055 0.002 . 751 1171 83 SER HB2 H 3.887 0.000 . 752 1171 83 SER HB3 H 3.887 0.000 . 753 1171 83 SER CB C 63.990 0.000 . 754 1171 83 SER N N 117.090 0.010 . 755 1172 84 ASP H H 8.251 0.000 . 756 1172 84 ASP HA H 4.575 0.003 . 757 1172 84 ASP HB2 H 2.544 0.000 . 758 1172 84 ASP HB3 H 2.544 0.000 . 759 1172 84 ASP CB C 41.865 0.000 . 760 1172 84 ASP N N 122.314 0.111 . 761 1173 85 HIS H H 7.807 0.001 . 762 1173 85 HIS HB2 H 3.191 0.000 . 763 1173 85 HIS HB3 H 3.142 0.004 . 764 1173 85 HIS CB C 30.504 0.552 . 765 1173 85 HIS N N 122.681 0.029 . stop_ save_