data_25428 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the acidic domain of SYNCRIP (hnRNPQ) ; _BMRB_accession_number 25428 _BMRB_flat_file_name bmr25428.str _Entry_type original _Submission_date 2015-01-14 _Accession_date 2015-01-14 _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 Serrano Pedro . . 2 Wuthrich Kurt . . 3 Beuck Christine . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 491 "13C chemical shifts" 339 "15N chemical shifts" 92 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-08-30 update BMRB 'update entry citation' 2015-01-20 original author 'original release' stop_ _Original_release_date 2016-08-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The acidic domain is a unique structural feature of the splicing factor SYNCRIP ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27081926 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Beuck Christine . . 2 Williamson James R. . 3 Wuthrich Kurt . . 4 Serrano Pedro . . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_volume 25 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1545 _Page_last 1550 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'acidic domain of SYNCRIP (hnRNPQ)' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 9494.729 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 85 _Mol_residue_sequence ; GSENFQTLLDAGLPQKVAEK LDEIYVAGLVAHSDLDERAI EALKEFNEDGALAVLQQFKD SDLSHVQNKSAFLCGVMKTY RQREK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 SER 3 3 GLU 4 4 ASN 5 5 PHE 6 6 GLN 7 7 THR 8 8 LEU 9 9 LEU 10 10 ASP 11 11 ALA 12 12 GLY 13 13 LEU 14 14 PRO 15 15 GLN 16 16 LYS 17 17 VAL 18 18 ALA 19 19 GLU 20 20 LYS 21 21 LEU 22 22 ASP 23 23 GLU 24 24 ILE 25 25 TYR 26 26 VAL 27 27 ALA 28 28 GLY 29 29 LEU 30 30 VAL 31 31 ALA 32 32 HIS 33 33 SER 34 34 ASP 35 35 LEU 36 36 ASP 37 37 GLU 38 38 ARG 39 39 ALA 40 40 ILE 41 41 GLU 42 42 ALA 43 43 LEU 44 44 LYS 45 45 GLU 46 46 PHE 47 47 ASN 48 48 GLU 49 49 ASP 50 50 GLY 51 51 ALA 52 52 LEU 53 53 ALA 54 54 VAL 55 55 LEU 56 56 GLN 57 57 GLN 58 58 PHE 59 59 LYS 60 60 ASP 61 61 SER 62 62 ASP 63 63 LEU 64 64 SER 65 65 HIS 66 66 VAL 67 67 GLN 68 68 ASN 69 69 LYS 70 70 SER 71 71 ALA 72 72 PHE 73 73 LEU 74 74 CYS 75 75 GLY 76 76 VAL 77 77 MET 78 78 LYS 79 79 THR 80 80 TYR 81 81 ARG 82 82 GLN 83 83 ARG 84 84 GLU 85 85 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pET28b 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 1.2 mM '[U-99% 13C; U-98% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 5 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_APSY_4D-HACANH_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 4D-HACANH' _Sample_label $sample_1 save_ save_APSY_5D-HACACONH_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 5D-HACACONH' _Sample_label $sample_1 save_ save_APSY_5D-CBCACONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 5D-CBCACONH' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.0798 . M pH 6.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 'APSY 4D-HACANH' 'APSY 5D-HACACONH' 'APSY 5D-CBCACONH' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY HA3 H 3.538 0.008 . 2 1 1 GLY C C 167.631 0.19 . 3 1 1 GLY CA C 40.513 0.19 . 4 2 2 SER H H 9.740 0.008 . 5 2 2 SER HA H 4.509 0.008 . 6 2 2 SER HB2 H 3.929 0.008 . 7 2 2 SER HB3 H 4.111 0.008 . 8 2 2 SER C C 172.827 0.19 . 9 2 2 SER CA C 55.872 0.19 . 10 2 2 SER CB C 61.645 0.19 . 11 2 2 SER N N 119.046 0.14 . 12 3 3 GLU H H 9.169 0.008 . 13 3 3 GLU HA H 4.172 0.008 . 14 3 3 GLU HB2 H 1.965 0.008 . 15 3 3 GLU HB3 H 1.965 0.008 . 16 3 3 GLU HG2 H 2.203 0.008 . 17 3 3 GLU HG3 H 2.203 0.008 . 18 3 3 GLU C C 174.375 0.19 . 19 3 3 GLU CA C 55.645 0.19 . 20 3 3 GLU CB C 26.263 0.19 . 21 3 3 GLU CG C 33.043 0.19 . 22 3 3 GLU N N 121.401 0.14 . 23 4 4 ASN H H 8.430 0.008 . 24 4 4 ASN HA H 4.539 0.008 . 25 4 4 ASN HB2 H 2.425 0.008 . 26 4 4 ASN HB3 H 2.460 0.008 . 27 4 4 ASN HD21 H 7.582 0.008 . 28 4 4 ASN HD22 H 6.593 0.008 . 29 4 4 ASN C C 172.792 0.19 . 30 4 4 ASN CA C 51.568 0.19 . 31 4 4 ASN CB C 36.628 0.19 . 32 4 4 ASN N N 117.467 0.14 . 33 4 4 ASN ND2 N 113.856 0.14 . 34 5 5 PHE H H 7.815 0.008 . 35 5 5 PHE HA H 3.979 0.008 . 36 5 5 PHE HB2 H 2.982 0.008 . 37 5 5 PHE HB3 H 3.206 0.008 . 38 5 5 PHE HD1 H 7.009 0.008 . 39 5 5 PHE HD2 H 7.009 0.008 . 40 5 5 PHE HE1 H 7.166 0.008 . 41 5 5 PHE HE2 H 7.166 0.008 . 42 5 5 PHE HZ H 7.170 0.008 . 43 5 5 PHE CA C 58.679 0.19 . 44 5 5 PHE CB C 36.226 0.19 . 45 5 5 PHE CD2 C 128.741 0.19 . 46 5 5 PHE CE2 C 128.690 0.19 . 47 5 5 PHE CZ C 126.930 0.19 . 48 5 5 PHE N N 121.588 0.14 . 49 6 6 GLN H H 8.308 0.008 . 50 6 6 GLN HA H 3.478 0.008 . 51 6 6 GLN HB2 H 2.092 0.008 . 52 6 6 GLN HB3 H 1.958 0.008 . 53 6 6 GLN HG2 H 2.283 0.008 . 54 6 6 GLN HG3 H 2.283 0.008 . 55 6 6 GLN HE21 H 6.713 0.008 . 56 6 6 GLN HE22 H 7.731 0.008 . 57 6 6 GLN C C 174.670 0.19 . 58 6 6 GLN CA C 55.301 0.19 . 59 6 6 GLN CB C 25.257 0.19 . 60 6 6 GLN CG C 30.646 0.19 . 61 6 6 GLN N N 117.868 0.14 . 62 6 6 GLN NE2 N 115.986 0.14 . 63 7 7 THR H H 7.586 0.008 . 64 7 7 THR HA H 3.862 0.008 . 65 7 7 THR HB H 4.061 0.008 . 66 7 7 THR HG2 H 1.120 0.008 . 67 7 7 THR C C 173.949 0.19 . 68 7 7 THR CA C 62.909 0.19 . 69 7 7 THR CB C 65.814 0.19 . 70 7 7 THR CG2 C 19.150 0.19 . 71 7 7 THR N N 114.124 0.14 . 72 8 8 LEU H H 7.459 0.008 . 73 8 8 LEU HA H 3.893 0.008 . 74 8 8 LEU HB2 H 1.045 0.008 . 75 8 8 LEU HB3 H 1.936 0.008 . 76 8 8 LEU HG H 1.807 0.008 . 77 8 8 LEU HD1 H 0.751 0.008 . 78 8 8 LEU HD2 H 0.838 0.008 . 79 8 8 LEU C C 175.915 0.19 . 80 8 8 LEU CA C 54.612 0.19 . 81 8 8 LEU CB C 39.027 0.19 . 82 8 8 LEU CG C 23.422 0.19 . 83 8 8 LEU CD1 C 19.227 0.19 . 84 8 8 LEU CD2 C 23.736 0.19 . 85 8 8 LEU N N 121.809 0.14 . 86 9 9 LEU H H 7.375 0.008 . 87 9 9 LEU HA H 3.999 0.008 . 88 9 9 LEU HB2 H 1.541 0.008 . 89 9 9 LEU HB3 H 1.244 0.008 . 90 9 9 LEU HG H 0.996 0.008 . 91 9 9 LEU HD1 H 0.534 0.008 . 92 9 9 LEU HD2 H 0.572 0.008 . 93 9 9 LEU C C 179.642 0.19 . 94 9 9 LEU CA C 54.393 0.19 . 95 9 9 LEU CB C 38.343 0.19 . 96 9 9 LEU CG C 23.177 0.19 . 97 9 9 LEU CD1 C 19.695 0.19 . 98 9 9 LEU CD2 C 22.999 0.19 . 99 9 9 LEU N N 119.407 0.14 . 100 10 10 ASP H H 8.679 0.008 . 101 10 10 ASP HA H 4.229 0.008 . 102 10 10 ASP HB2 H 2.576 0.008 . 103 10 10 ASP HB3 H 2.652 0.008 . 104 10 10 ASP C C 174.743 0.19 . 105 10 10 ASP CA C 53.829 0.19 . 106 10 10 ASP CB C 36.965 0.19 . 107 10 10 ASP N N 122.019 0.14 . 108 11 11 ALA H H 7.393 0.008 . 109 11 11 ALA HA H 4.208 0.008 . 110 11 11 ALA HB H 1.402 0.008 . 111 11 11 ALA C C 174.553 0.19 . 112 11 11 ALA CA C 49.682 0.19 . 113 11 11 ALA CB C 15.391 0.19 . 114 11 11 ALA N N 121.088 0.14 . 115 12 12 GLY H H 7.817 0.008 . 116 12 12 GLY HA3 H 3.613 0.008 . 117 12 12 GLY C C 172.183 0.19 . 118 12 12 GLY CA C 42.150 0.19 . 119 12 12 GLY N N 104.096 0.14 . 120 13 13 LEU H H 7.216 0.008 . 121 13 13 LEU HA H 4.365 0.008 . 122 13 13 LEU HB2 H 1.360 0.008 . 123 13 13 LEU HB3 H 0.987 0.008 . 124 13 13 LEU HG H 1.457 0.008 . 125 13 13 LEU HD1 H 0.702 0.008 . 126 13 13 LEU HD2 H 0.725 0.008 . 127 13 13 LEU CA C 50.153 0.19 . 128 13 13 LEU CB C 38.486 0.19 . 129 13 13 LEU CG C 24.422 0.19 . 130 13 13 LEU CD1 C 20.920 0.19 . 131 13 13 LEU CD2 C 23.677 0.19 . 132 13 13 LEU N N 120.523 0.14 . 133 14 14 PRO HA H 4.351 0.008 . 134 14 14 PRO HB2 H 1.731 0.008 . 135 14 14 PRO HB3 H 2.499 0.008 . 136 14 14 PRO HG2 H 1.976 0.008 . 137 14 14 PRO HG3 H 2.104 0.008 . 138 14 14 PRO HD2 H 3.262 0.008 . 139 14 14 PRO HD3 H 3.988 0.008 . 140 14 14 PRO C C 174.611 0.19 . 141 14 14 PRO CA C 59.728 0.19 . 142 14 14 PRO CB C 29.803 0.19 . 143 14 14 PRO CG C 25.360 0.19 . 144 14 14 PRO CD C 47.745 0.19 . 145 15 15 GLN H H 8.812 0.008 . 146 15 15 GLN HA H 3.689 0.008 . 147 15 15 GLN HB2 H 1.923 0.008 . 148 15 15 GLN HB3 H 2.227 0.008 . 149 15 15 GLN HG2 H 2.355 0.008 . 150 15 15 GLN HG3 H 2.304 0.008 . 151 15 15 GLN HE21 H 7.855 0.008 . 152 15 15 GLN HE22 H 6.677 0.008 . 153 15 15 GLN C C 174.848 0.19 . 154 15 15 GLN CA C 57.850 0.19 . 155 15 15 GLN CB C 25.333 0.19 . 156 15 15 GLN CG C 29.851 0.19 . 157 15 15 GLN N N 124.429 0.14 . 158 15 15 GLN NE2 N 111.734 0.14 . 159 16 16 LYS H H 9.282 0.008 . 160 16 16 LYS HA H 4.022 0.008 . 161 16 16 LYS HB2 H 1.665 0.008 . 162 16 16 LYS HB3 H 1.722 0.008 . 163 16 16 LYS HG2 H 1.421 0.008 . 164 16 16 LYS HG3 H 1.539 0.008 . 165 16 16 LYS HE2 H 2.859 0.008 . 166 16 16 LYS HE3 H 2.859 0.008 . 167 16 16 LYS C C 176.800 0.19 . 168 16 16 LYS CA C 56.624 0.19 . 169 16 16 LYS CB C 29.837 0.19 . 170 16 16 LYS CG C 22.828 0.19 . 171 16 16 LYS CE C 39.062 0.19 . 172 16 16 LYS N N 115.638 0.14 . 173 17 17 VAL H H 6.998 0.008 . 174 17 17 VAL HA H 3.390 0.008 . 175 17 17 VAL HB H 1.995 0.008 . 176 17 17 VAL HG1 H 0.785 0.008 . 177 17 17 VAL HG2 H 0.920 0.008 . 178 17 17 VAL C C 173.946 0.19 . 179 17 17 VAL CA C 62.811 0.19 . 180 17 17 VAL CB C 29.088 0.19 . 181 17 17 VAL CG1 C 19.189 0.19 . 182 17 17 VAL CG2 C 20.459 0.19 . 183 17 17 VAL N N 118.513 0.14 . 184 18 18 ALA H H 8.342 0.008 . 185 18 18 ALA HA H 3.733 0.008 . 186 18 18 ALA HB H 1.104 0.008 . 187 18 18 ALA C C 176.571 0.19 . 188 18 18 ALA CA C 52.519 0.19 . 189 18 18 ALA CB C 15.616 0.19 . 190 18 18 ALA N N 121.811 0.14 . 191 19 19 GLU H H 8.578 0.008 . 192 19 19 GLU HA H 3.913 0.008 . 193 19 19 GLU HB2 H 1.949 0.008 . 194 19 19 GLU HB3 H 2.092 0.008 . 195 19 19 GLU HG2 H 2.564 0.008 . 196 19 19 GLU HG3 H 2.103 0.008 . 197 19 19 GLU C C 176.184 0.19 . 198 19 19 GLU CA C 56.832 0.19 . 199 19 19 GLU CB C 27.114 0.19 . 200 19 19 GLU CG C 34.352 0.19 . 201 19 19 GLU N N 116.183 0.14 . 202 20 20 LYS H H 7.347 0.008 . 203 20 20 LYS HA H 4.063 0.008 . 204 20 20 LYS HB2 H 2.162 0.008 . 205 20 20 LYS HB3 H 2.231 0.008 . 206 20 20 LYS HG3 H 1.336 0.008 . 207 20 20 LYS HD2 H 1.813 0.008 . 208 20 20 LYS HD3 H 1.813 0.008 . 209 20 20 LYS HE2 H 2.683 0.008 . 210 20 20 LYS HE3 H 2.843 0.008 . 211 20 20 LYS C C 175.707 0.19 . 212 20 20 LYS CA C 54.340 0.19 . 213 20 20 LYS CB C 27.152 0.19 . 214 20 20 LYS CG C 21.921 0.19 . 215 20 20 LYS CD C 27.694 0.19 . 216 20 20 LYS CE C 38.910 0.19 . 217 20 20 LYS N N 120.202 0.14 . 218 21 21 LEU H H 8.197 0.008 . 219 21 21 LEU HA H 3.904 0.008 . 220 21 21 LEU HB2 H 1.464 0.008 . 221 21 21 LEU HB3 H 1.278 0.008 . 222 21 21 LEU HG H 1.242 0.008 . 223 21 21 LEU HD1 H 0.563 0.008 . 224 21 21 LEU HD2 H 0.573 0.008 . 225 21 21 LEU C C 175.138 0.19 . 226 21 21 LEU CA C 54.762 0.19 . 227 21 21 LEU CB C 38.389 0.19 . 228 21 21 LEU CG C 23.924 0.19 . 229 21 21 LEU CD1 C 20.254 0.19 . 230 21 21 LEU CD2 C 22.420 0.19 . 231 21 21 LEU N N 120.188 0.14 . 232 22 22 ASP H H 8.365 0.008 . 233 22 22 ASP HA H 4.425 0.008 . 234 22 22 ASP HB2 H 2.641 0.008 . 235 22 22 ASP HB3 H 2.696 0.008 . 236 22 22 ASP C C 175.147 0.19 . 237 22 22 ASP CA C 55.276 0.19 . 238 22 22 ASP CB C 39.303 0.19 . 239 22 22 ASP N N 118.729 0.14 . 240 23 23 GLU H H 7.750 0.008 . 241 23 23 GLU HA H 3.889 0.008 . 242 23 23 GLU HB2 H 2.229 0.008 . 243 23 23 GLU HB3 H 2.162 0.008 . 244 23 23 GLU HG2 H 2.465 0.008 . 245 23 23 GLU HG3 H 2.081 0.008 . 246 23 23 GLU C C 177.140 0.19 . 247 23 23 GLU CA C 56.749 0.19 . 248 23 23 GLU CB C 27.041 0.19 . 249 23 23 GLU CG C 33.775 0.19 . 250 23 23 GLU N N 117.201 0.14 . 251 24 24 ILE H H 7.510 0.008 . 252 24 24 ILE HA H 3.607 0.008 . 253 24 24 ILE HB H 2.204 0.008 . 254 24 24 ILE HG12 H 2.004 0.008 . 255 24 24 ILE HG13 H 0.822 0.008 . 256 24 24 ILE HG2 H 0.889 0.008 . 257 24 24 ILE HD1 H 0.884 0.008 . 258 24 24 ILE C C 174.918 0.19 . 259 24 24 ILE CA C 63.184 0.19 . 260 24 24 ILE CB C 34.967 0.19 . 261 24 24 ILE CG1 C 27.243 0.19 . 262 24 24 ILE CG2 C 15.917 0.19 . 263 24 24 ILE CD1 C 12.272 0.19 . 264 24 24 ILE N N 121.465 0.14 . 265 25 25 TYR H H 7.973 0.008 . 266 25 25 TYR HA H 4.812 0.008 . 267 25 25 TYR HB2 H 3.345 0.008 . 268 25 25 TYR HB3 H 3.115 0.008 . 269 25 25 TYR HD1 H 7.020 0.008 . 270 25 25 TYR HD2 H 7.020 0.008 . 271 25 25 TYR HE1 H 6.494 0.008 . 272 25 25 TYR HE2 H 6.494 0.008 . 273 25 25 TYR C C 179.018 0.19 . 274 25 25 TYR CA C 56.172 0.19 . 275 25 25 TYR CB C 34.419 0.19 . 276 25 25 TYR CD2 C 129.277 0.19 . 277 25 25 TYR CE2 C 115.889 0.19 . 278 25 25 TYR N N 120.955 0.14 . 279 26 26 VAL H H 9.102 0.008 . 280 26 26 VAL HA H 3.591 0.008 . 281 26 26 VAL HB H 2.050 0.008 . 282 26 26 VAL HG1 H 0.890 0.008 . 283 26 26 VAL HG2 H 1.050 0.008 . 284 26 26 VAL C C 175.383 0.19 . 285 26 26 VAL CA C 63.501 0.19 . 286 26 26 VAL CB C 28.993 0.19 . 287 26 26 VAL CG1 C 18.463 0.19 . 288 26 26 VAL CG2 C 20.843 0.19 . 289 26 26 VAL N N 123.429 0.14 . 290 27 27 ALA H H 7.691 0.008 . 291 27 27 ALA HA H 4.205 0.008 . 292 27 27 ALA HB H 1.486 0.008 . 293 27 27 ALA C C 175.640 0.19 . 294 27 27 ALA CA C 50.270 0.19 . 295 27 27 ALA CB C 15.992 0.19 . 296 27 27 ALA N N 120.082 0.14 . 297 28 28 GLY H H 7.914 0.008 . 298 28 28 GLY HA3 H 3.764 0.008 . 299 28 28 GLY C C 172.315 0.19 . 300 28 28 GLY CA C 42.539 0.19 . 301 28 28 GLY N N 105.543 0.14 . 302 29 29 LEU H H 7.501 0.008 . 303 29 29 LEU HA H 4.005 0.008 . 304 29 29 LEU HB2 H 1.664 0.008 . 305 29 29 LEU HB3 H 1.384 0.008 . 306 29 29 LEU HG H 1.522 0.008 . 307 29 29 LEU HD1 H 0.767 0.008 . 308 29 29 LEU HD2 H 0.898 0.008 . 309 29 29 LEU C C 173.807 0.19 . 310 29 29 LEU CA C 54.080 0.19 . 311 29 29 LEU CB C 39.786 0.19 . 312 29 29 LEU CG C 24.652 0.19 . 313 29 29 LEU CD1 C 20.091 0.19 . 314 29 29 LEU CD2 C 22.823 0.19 . 315 29 29 LEU N N 119.155 0.14 . 316 30 30 VAL H H 7.054 0.008 . 317 30 30 VAL HA H 4.216 0.008 . 318 30 30 VAL HB H 2.037 0.008 . 319 30 30 VAL HG1 H 0.856 0.008 . 320 30 30 VAL HG2 H 0.672 0.008 . 321 30 30 VAL C C 170.244 0.19 . 322 30 30 VAL CA C 56.444 0.19 . 323 30 30 VAL CB C 32.365 0.19 . 324 30 30 VAL CG1 C 19.281 0.19 . 325 30 30 VAL CG2 C 17.915 0.19 . 326 30 30 VAL N N 109.334 0.14 . 327 31 31 ALA H H 8.938 0.008 . 328 31 31 ALA HA H 4.559 0.008 . 329 31 31 ALA HB H 1.289 0.008 . 330 31 31 ALA C C 176.016 0.19 . 331 31 31 ALA CA C 47.470 0.19 . 332 31 31 ALA CB C 18.040 0.19 . 333 31 31 ALA N N 126.238 0.14 . 334 32 32 HIS H H 8.657 0.008 . 335 32 32 HIS HA H 3.990 0.008 . 336 32 32 HIS HB2 H 2.827 0.008 . 337 32 32 HIS HB3 H 2.798 0.008 . 338 32 32 HIS HD2 H 6.897 0.008 . 339 32 32 HIS HE1 H 7.879 0.008 . 340 32 32 HIS C C 174.379 0.19 . 341 32 32 HIS CA C 56.668 0.19 . 342 32 32 HIS CB C 26.452 0.19 . 343 32 32 HIS CD2 C 116.254 0.19 . 344 32 32 HIS CE1 C 134.400 0.19 . 345 32 32 HIS N N 120.680 0.14 . 346 33 33 SER H H 7.792 0.008 . 347 33 33 SER HA H 4.125 0.008 . 348 33 33 SER HB2 H 3.680 0.008 . 349 33 33 SER HB3 H 3.925 0.008 . 350 33 33 SER C C 172.444 0.19 . 351 33 33 SER CA C 56.158 0.19 . 352 33 33 SER CB C 60.045 0.19 . 353 33 33 SER N N 109.997 0.14 . 354 34 34 ASP H H 7.668 0.008 . 355 34 34 ASP HA H 4.520 0.008 . 356 34 34 ASP HB2 H 2.559 0.008 . 357 34 34 ASP HB3 H 2.919 0.008 . 358 34 34 ASP CA C 53.516 0.19 . 359 34 34 ASP CB C 39.490 0.19 . 360 34 34 ASP N N 119.785 0.14 . 361 35 35 LEU H H 7.376 0.008 . 362 35 35 LEU HA H 4.453 0.008 . 363 35 35 LEU HB2 H 0.984 0.008 . 364 35 35 LEU HB3 H 1.797 0.008 . 365 35 35 LEU HG H 1.522 0.008 . 366 35 35 LEU HD1 H 0.705 0.008 . 367 35 35 LEU HD2 H 0.575 0.008 . 368 35 35 LEU CA C 50.364 0.19 . 369 35 35 LEU CB C 38.642 0.19 . 370 35 35 LEU CG C 24.006 0.19 . 371 35 35 LEU CD1 C 22.787 0.19 . 372 35 35 LEU CD2 C 20.395 0.19 . 373 35 35 LEU N N 118.248 0.14 . 374 36 36 ASP H H 8.002 0.008 . 375 36 36 ASP HA H 4.425 0.008 . 376 36 36 ASP HB2 H 2.938 0.008 . 377 36 36 ASP HB3 H 2.622 0.008 . 378 36 36 ASP C C 173.050 0.19 . 379 36 36 ASP CA C 49.746 0.19 . 380 36 36 ASP CB C 39.169 0.19 . 381 36 36 ASP N N 122.922 0.14 . 382 37 37 GLU H H 8.568 0.008 . 383 37 37 GLU HA H 3.826 0.008 . 384 37 37 GLU HB2 H 1.950 0.008 . 385 37 37 GLU HB3 H 1.950 0.008 . 386 37 37 GLU HG2 H 2.278 0.008 . 387 37 37 GLU HG3 H 2.242 0.008 . 388 37 37 GLU C C 175.878 0.19 . 389 37 37 GLU CA C 56.924 0.19 . 390 37 37 GLU CB C 26.411 0.19 . 391 37 37 GLU CG C 33.331 0.19 . 392 37 37 GLU N N 119.277 0.14 . 393 38 38 ARG H H 7.926 0.008 . 394 38 38 ARG HA H 3.932 0.008 . 395 38 38 ARG HB2 H 2.331 0.008 . 396 38 38 ARG HB3 H 2.080 0.008 . 397 38 38 ARG HG2 H 1.810 0.008 . 398 38 38 ARG HG3 H 1.721 0.008 . 399 38 38 ARG HD2 H 3.106 0.008 . 400 38 38 ARG HD3 H 3.106 0.008 . 401 38 38 ARG C C 176.285 0.19 . 402 38 38 ARG CA C 55.806 0.19 . 403 38 38 ARG CB C 30.966 0.19 . 404 38 38 ARG CG C 26.649 0.19 . 405 38 38 ARG CD C 40.356 0.19 . 406 38 38 ARG N N 117.965 0.14 . 407 39 39 ALA H H 7.853 0.008 . 408 39 39 ALA HA H 3.878 0.008 . 409 39 39 ALA HB H 1.317 0.008 . 410 39 39 ALA C C 175.872 0.19 . 411 39 39 ALA CA C 52.242 0.19 . 412 39 39 ALA CB C 15.191 0.19 . 413 39 39 ALA N N 123.247 0.14 . 414 40 40 ILE H H 7.416 0.008 . 415 40 40 ILE HA H 3.444 0.008 . 416 40 40 ILE HB H 1.862 0.008 . 417 40 40 ILE HG12 H 1.330 0.008 . 418 40 40 ILE HG13 H 1.105 0.008 . 419 40 40 ILE HG2 H 0.711 0.008 . 420 40 40 ILE HD1 H 0.533 0.008 . 421 40 40 ILE C C 175.056 0.19 . 422 40 40 ILE CA C 60.848 0.19 . 423 40 40 ILE CB C 33.621 0.19 . 424 40 40 ILE CG1 C 25.472 0.19 . 425 40 40 ILE CG2 C 14.581 0.19 . 426 40 40 ILE CD1 C 7.737 0.19 . 427 40 40 ILE N N 116.462 0.14 . 428 41 41 GLU H H 8.160 0.008 . 429 41 41 GLU HA H 3.785 0.008 . 430 41 41 GLU HB2 H 1.961 0.008 . 431 41 41 GLU HB3 H 1.961 0.008 . 432 41 41 GLU HG2 H 1.863 0.008 . 433 41 41 GLU HG3 H 1.863 0.008 . 434 41 41 GLU C C 176.503 0.19 . 435 41 41 GLU CA C 56.411 0.19 . 436 41 41 GLU CB C 26.360 0.19 . 437 41 41 GLU CG C 33.659 0.19 . 438 41 41 GLU N N 117.817 0.14 . 439 42 42 ALA H H 7.606 0.008 . 440 42 42 ALA HA H 4.068 0.008 . 441 42 42 ALA HB H 1.449 0.008 . 442 42 42 ALA CA C 51.977 0.19 . 443 42 42 ALA CB C 15.329 0.19 . 444 42 42 ALA N N 120.852 0.14 . 445 43 43 LEU H H 7.758 0.008 . 446 43 43 LEU HA H 4.139 0.008 . 447 43 43 LEU HB2 H 1.660 0.008 . 448 43 43 LEU HB3 H 1.576 0.008 . 449 43 43 LEU HG H 1.604 0.008 . 450 43 43 LEU HD1 H 0.651 0.008 . 451 43 43 LEU HD2 H 0.592 0.008 . 452 43 43 LEU C C 176.351 0.19 . 453 43 43 LEU CA C 54.853 0.19 . 454 43 43 LEU CB C 39.586 0.19 . 455 43 43 LEU CG C 23.872 0.19 . 456 43 43 LEU CD1 C 21.690 0.19 . 457 43 43 LEU CD2 C 22.382 0.19 . 458 43 43 LEU N N 120.443 0.14 . 459 44 44 LYS H H 7.722 0.008 . 460 44 44 LYS HA H 4.025 0.008 . 461 44 44 LYS HB2 H 1.787 0.008 . 462 44 44 LYS HB3 H 1.787 0.008 . 463 44 44 LYS HG2 H 1.288 0.008 . 464 44 44 LYS HG3 H 1.288 0.008 . 465 44 44 LYS HD2 H 1.554 0.008 . 466 44 44 LYS HD3 H 1.311 0.008 . 467 44 44 LYS HE2 H 2.847 0.008 . 468 44 44 LYS HE3 H 2.847 0.008 . 469 44 44 LYS C C 174.406 0.19 . 470 44 44 LYS CA C 55.431 0.19 . 471 44 44 LYS CB C 29.673 0.19 . 472 44 44 LYS CG C 21.782 0.19 . 473 44 44 LYS CD C 23.182 0.19 . 474 44 44 LYS CE C 39.086 0.19 . 475 44 44 LYS N N 116.644 0.14 . 476 45 45 GLU H H 7.281 0.008 . 477 45 45 GLU HA H 4.014 0.008 . 478 45 45 GLU HB2 H 1.864 0.008 . 479 45 45 GLU HG2 H 2.092 0.008 . 480 45 45 GLU HG3 H 2.434 0.008 . 481 45 45 GLU C C 174.383 0.19 . 482 45 45 GLU CA C 54.281 0.19 . 483 45 45 GLU CB C 26.997 0.19 . 484 45 45 GLU CG C 33.619 0.19 . 485 45 45 GLU N N 115.882 0.14 . 486 46 46 PHE H H 7.342 0.008 . 487 46 46 PHE HA H 4.348 0.008 . 488 46 46 PHE HB2 H 3.004 0.008 . 489 46 46 PHE HB3 H 3.224 0.008 . 490 46 46 PHE HD1 H 7.336 0.008 . 491 46 46 PHE HD2 H 7.336 0.008 . 492 46 46 PHE HE1 H 7.155 0.008 . 493 46 46 PHE HE2 H 7.155 0.008 . 494 46 46 PHE HZ H 7.256 0.008 . 495 46 46 PHE C C 173.933 0.19 . 496 46 46 PHE CA C 55.339 0.19 . 497 46 46 PHE CB C 38.417 0.19 . 498 46 46 PHE CD1 C 128.720 0.19 . 499 46 46 PHE CE1 C 128.631 0.19 . 500 46 46 PHE CZ C 125.844 0.19 . 501 46 46 PHE N N 118.293 0.14 . 502 47 47 ASN H H 8.348 0.008 . 503 47 47 ASN HA H 4.607 0.008 . 504 47 47 ASN HB2 H 3.174 0.008 . 505 47 47 ASN HB3 H 2.950 0.008 . 506 47 47 ASN HD21 H 6.991 0.008 . 507 47 47 ASN HD22 H 7.661 0.008 . 508 47 47 ASN C C 172.500 0.19 . 509 47 47 ASN CA C 49.660 0.19 . 510 47 47 ASN CB C 35.186 0.19 . 511 47 47 ASN N N 117.552 0.14 . 512 47 47 ASN ND2 N 112.902 0.14 . 513 48 48 GLU H H 8.657 0.008 . 514 48 48 GLU HA H 3.678 0.008 . 515 48 48 GLU HB2 H 2.031 0.008 . 516 48 48 GLU HB3 H 1.926 0.008 . 517 48 48 GLU HG2 H 2.034 0.008 . 518 48 48 GLU HG3 H 2.034 0.008 . 519 48 48 GLU C C 174.313 0.19 . 520 48 48 GLU CA C 58.386 0.19 . 521 48 48 GLU CB C 27.594 0.19 . 522 48 48 GLU CG C 34.646 0.19 . 523 48 48 GLU N N 121.194 0.14 . 524 49 49 ASP H H 8.186 0.008 . 525 49 49 ASP HA H 4.223 0.008 . 526 49 49 ASP HB2 H 2.513 0.008 . 527 49 49 ASP HB3 H 2.577 0.008 . 528 49 49 ASP C C 176.778 0.19 . 529 49 49 ASP CA C 54.688 0.19 . 530 49 49 ASP CB C 37.441 0.19 . 531 49 49 ASP N N 115.316 0.14 . 532 50 50 GLY H H 8.146 0.008 . 533 50 50 GLY HA3 H 3.717 0.008 . 534 50 50 GLY C C 171.469 0.19 . 535 50 50 GLY CA C 44.341 0.19 . 536 50 50 GLY N N 109.745 0.14 . 537 51 51 ALA H H 8.554 0.008 . 538 51 51 ALA HA H 3.367 0.008 . 539 51 51 ALA HB H 1.326 0.008 . 540 51 51 ALA C C 177.022 0.19 . 541 51 51 ALA CA C 52.163 0.19 . 542 51 51 ALA CB C 16.810 0.19 . 543 51 51 ALA N N 123.698 0.14 . 544 52 52 LEU H H 8.124 0.008 . 545 52 52 LEU HA H 3.788 0.008 . 546 52 52 LEU HB2 H 1.364 0.008 . 547 52 52 LEU HB3 H 1.822 0.008 . 548 52 52 LEU HG H 1.823 0.008 . 549 52 52 LEU HD1 H 0.672 0.008 . 550 52 52 LEU HD2 H 0.774 0.008 . 551 52 52 LEU C C 176.760 0.19 . 552 52 52 LEU CA C 55.261 0.19 . 553 52 52 LEU CB C 38.006 0.19 . 554 52 52 LEU CG C 24.021 0.19 . 555 52 52 LEU CD1 C 20.574 0.19 . 556 52 52 LEU CD2 C 22.910 0.19 . 557 52 52 LEU N N 115.728 0.14 . 558 53 53 ALA H H 7.503 0.008 . 559 53 53 ALA HA H 4.020 0.008 . 560 53 53 ALA HB H 1.363 0.008 . 561 53 53 ALA CA C 52.438 0.19 . 562 53 53 ALA CB C 15.446 0.19 . 563 53 53 ALA N N 123.490 0.14 . 564 54 54 VAL H H 7.847 0.008 . 565 54 54 VAL HA H 3.078 0.008 . 566 54 54 VAL HB H 1.640 0.008 . 567 54 54 VAL HG1 H 0.055 0.008 . 568 54 54 VAL HG2 H 0.320 0.008 . 569 54 54 VAL CA C 62.949 0.19 . 570 54 54 VAL CB C 28.357 0.19 . 571 54 54 VAL CG1 C 19.612 0.19 . 572 54 54 VAL CG2 C 18.650 0.19 . 573 54 54 VAL N N 119.648 0.14 . 574 55 55 LEU H H 7.951 0.008 . 575 55 55 LEU HA H 3.841 0.008 . 576 55 55 LEU HB2 H 1.806 0.008 . 577 55 55 LEU HB3 H 1.037 0.008 . 578 55 55 LEU HG H 1.756 0.008 . 579 55 55 LEU HD1 H 0.675 0.008 . 580 55 55 LEU HD2 H 0.525 0.008 . 581 55 55 LEU C C 175.988 0.19 . 582 55 55 LEU CA C 54.655 0.19 . 583 55 55 LEU CB C 38.850 0.19 . 584 55 55 LEU CG C 23.610 0.19 . 585 55 55 LEU CD1 C 24.961 0.19 . 586 55 55 LEU CD2 C 19.527 0.19 . 587 55 55 LEU N N 118.185 0.14 . 588 56 56 GLN H H 8.080 0.008 . 589 56 56 GLN HA H 3.755 0.008 . 590 56 56 GLN HB2 H 2.060 0.008 . 591 56 56 GLN HB3 H 2.132 0.008 . 592 56 56 GLN HG2 H 2.298 0.008 . 593 56 56 GLN HG3 H 2.266 0.008 . 594 56 56 GLN HE21 H 6.750 0.008 . 595 56 56 GLN HE22 H 7.372 0.008 . 596 56 56 GLN C C 174.357 0.19 . 597 56 56 GLN CA C 55.719 0.19 . 598 56 56 GLN CB C 25.217 0.19 . 599 56 56 GLN CG C 30.246 0.19 . 600 56 56 GLN N N 120.271 0.14 . 601 56 56 GLN NE2 N 111.568 0.14 . 602 57 57 GLN H H 7.697 0.008 . 603 57 57 GLN HA H 3.995 0.008 . 604 57 57 GLN HB2 H 1.942 0.008 . 605 57 57 GLN HB3 H 2.092 0.008 . 606 57 57 GLN HG2 H 2.444 0.008 . 607 57 57 GLN HG3 H 2.250 0.008 . 608 57 57 GLN HE21 H 7.344 0.008 . 609 57 57 GLN HE22 H 6.584 0.008 . 610 57 57 GLN C C 177.125 0.19 . 611 57 57 GLN CA C 56.060 0.19 . 612 57 57 GLN CB C 25.148 0.19 . 613 57 57 GLN CG C 31.102 0.19 . 614 57 57 GLN N N 117.610 0.14 . 615 57 57 GLN NE2 N 110.000 0.14 . 616 58 58 PHE H H 8.482 0.008 . 617 58 58 PHE HA H 4.200 0.008 . 618 58 58 PHE HB2 H 2.946 0.008 . 619 58 58 PHE HB3 H 3.330 0.008 . 620 58 58 PHE HD1 H 7.070 0.008 . 621 58 58 PHE HD2 H 7.070 0.008 . 622 58 58 PHE HE1 H 7.185 0.008 . 623 58 58 PHE HE2 H 7.185 0.008 . 624 58 58 PHE HZ H 6.923 0.008 . 625 58 58 PHE C C 172.960 0.19 . 626 58 58 PHE CA C 58.622 0.19 . 627 58 58 PHE CB C 37.309 0.19 . 628 58 58 PHE CD2 C 128.565 0.19 . 629 58 58 PHE CE2 C 128.626 0.19 . 630 58 58 PHE CZ C 126.568 0.19 . 631 58 58 PHE N N 120.365 0.14 . 632 59 59 LYS H H 8.403 0.008 . 633 59 59 LYS HA H 3.627 0.008 . 634 59 59 LYS HB2 H 1.787 0.008 . 635 59 59 LYS HB3 H 1.816 0.008 . 636 59 59 LYS HG2 H 1.250 0.008 . 637 59 59 LYS HG3 H 1.526 0.008 . 638 59 59 LYS HD2 H 1.456 0.008 . 639 59 59 LYS HD3 H 1.531 0.008 . 640 59 59 LYS HE2 H 2.786 0.008 . 641 59 59 LYS HE3 H 2.786 0.008 . 642 59 59 LYS C C 174.015 0.19 . 643 59 59 LYS CA C 56.227 0.19 . 644 59 59 LYS CB C 29.478 0.19 . 645 59 59 LYS CG C 22.152 0.19 . 646 59 59 LYS CD C 26.787 0.19 . 647 59 59 LYS CE C 39.092 0.19 . 648 59 59 LYS N N 117.757 0.14 . 649 60 60 ASP H H 7.613 0.008 . 650 60 60 ASP HA H 4.630 0.008 . 651 60 60 ASP HB2 H 2.549 0.008 . 652 60 60 ASP HB3 H 2.816 0.008 . 653 60 60 ASP C C 174.154 0.19 . 654 60 60 ASP CA C 51.754 0.19 . 655 60 60 ASP CB C 38.013 0.19 . 656 60 60 ASP N N 116.580 0.14 . 657 61 61 SER H H 7.363 0.008 . 658 61 61 SER HA H 4.383 0.008 . 659 61 61 SER HB2 H 3.629 0.008 . 660 61 61 SER HB3 H 3.907 0.008 . 661 61 61 SER C C 169.538 0.19 . 662 61 61 SER CA C 56.682 0.19 . 663 61 61 SER CB C 61.698 0.19 . 664 61 61 SER N N 117.142 0.14 . 665 62 62 ASP H H 8.484 0.008 . 666 62 62 ASP HA H 4.550 0.008 . 667 62 62 ASP HB2 H 2.524 0.008 . 668 62 62 ASP HB3 H 2.762 0.008 . 669 62 62 ASP CA C 50.266 0.19 . 670 62 62 ASP CB C 36.179 0.19 . 671 62 62 ASP N N 120.580 0.14 . 672 63 63 LEU H H 8.247 0.008 . 673 63 63 LEU HA H 3.811 0.008 . 674 63 63 LEU HB2 H 1.459 0.008 . 675 63 63 LEU HB3 H 1.099 0.008 . 676 63 63 LEU HG H 1.150 0.008 . 677 63 63 LEU HD1 H -0.170 0.008 . 678 63 63 LEU HD2 H 0.113 0.008 . 679 63 63 LEU CA C 51.921 0.19 . 680 63 63 LEU CB C 39.003 0.19 . 681 63 63 LEU CG C 23.250 0.19 . 682 63 63 LEU CD1 C 19.918 0.19 . 683 63 63 LEU CD2 C 23.095 0.19 . 684 63 63 LEU N N 126.269 0.14 . 685 64 64 SER H H 8.216 0.008 . 686 64 64 SER HA H 3.862 0.008 . 687 64 64 SER HB2 H 3.540 0.008 . 688 64 64 SER HB3 H 3.689 0.008 . 689 64 64 SER C C 172.812 0.19 . 690 64 64 SER CA C 58.914 0.19 . 691 64 64 SER CB C 59.851 0.19 . 692 64 64 SER N N 116.388 0.14 . 693 65 65 HIS H H 8.135 0.008 . 694 65 65 HIS HA H 4.713 0.008 . 695 65 65 HIS HB2 H 3.441 0.008 . 696 65 65 HIS HB3 H 2.709 0.008 . 697 65 65 HIS HD2 H 7.190 0.008 . 698 65 65 HIS HE1 H 8.354 0.008 . 699 65 65 HIS C C 171.008 0.19 . 700 65 65 HIS CA C 52.236 0.19 . 701 65 65 HIS CB C 25.765 0.19 . 702 65 65 HIS CD2 C 117.206 0.19 . 703 65 65 HIS CE1 C 133.331 0.19 . 704 65 65 HIS N N 117.601 0.14 . 705 66 66 VAL H H 6.987 0.008 . 706 66 66 VAL HA H 3.857 0.008 . 707 66 66 VAL HB H 1.661 0.008 . 708 66 66 VAL HG1 H 0.584 0.008 . 709 66 66 VAL HG2 H 0.412 0.008 . 710 66 66 VAL C C 172.336 0.19 . 711 66 66 VAL CA C 59.147 0.19 . 712 66 66 VAL CB C 29.577 0.19 . 713 66 66 VAL CG1 C 19.236 0.19 . 714 66 66 VAL CG2 C 18.204 0.19 . 715 66 66 VAL N N 121.466 0.14 . 716 67 67 GLN H H 8.527 0.008 . 717 67 67 GLN HA H 4.149 0.008 . 718 67 67 GLN HB2 H 2.037 0.008 . 719 67 67 GLN HB3 H 2.037 0.008 . 720 67 67 GLN HG2 H 2.291 0.008 . 721 67 67 GLN HG3 H 2.337 0.008 . 722 67 67 GLN HE21 H 7.928 0.008 . 723 67 67 GLN HE22 H 6.789 0.008 . 724 67 67 GLN CA C 55.100 0.19 . 725 67 67 GLN CB C 26.315 0.19 . 726 67 67 GLN CG C 31.238 0.19 . 727 67 67 GLN N N 127.282 0.14 . 728 67 67 GLN NE2 N 116.389 0.14 . 729 68 68 ASN H H 8.183 0.008 . 730 68 68 ASN HA H 4.935 0.008 . 731 68 68 ASN HB2 H 3.070 0.008 . 732 68 68 ASN HB3 H 2.642 0.008 . 733 68 68 ASN HD21 H 7.065 0.008 . 734 68 68 ASN HD22 H 7.662 0.008 . 735 68 68 ASN CA C 48.730 0.19 . 736 68 68 ASN CB C 35.131 0.19 . 737 68 68 ASN N N 117.044 0.14 . 738 68 68 ASN ND2 N 112.874 0.14 . 739 69 69 LYS H H 9.071 0.008 . 740 69 69 LYS HA H 3.933 0.008 . 741 69 69 LYS HB2 H 1.888 0.008 . 742 69 69 LYS HB3 H 1.905 0.008 . 743 69 69 LYS HD2 H 1.383 0.008 . 744 69 69 LYS HD3 H 1.571 0.008 . 745 69 69 LYS HE2 H 3.186 0.008 . 746 69 69 LYS HE3 H 3.186 0.008 . 747 69 69 LYS CA C 57.605 0.19 . 748 69 69 LYS CB C 30.295 0.19 . 749 69 69 LYS CD C 25.239 0.19 . 750 69 69 LYS CE C 37.297 0.19 . 751 69 69 LYS N N 125.145 0.14 . 752 70 70 SER H H 8.504 0.008 . 753 70 70 SER HA H 4.220 0.008 . 754 70 70 SER HB2 H 3.986 0.008 . 755 70 70 SER HB3 H 3.986 0.008 . 756 70 70 SER CA C 59.898 0.19 . 757 70 70 SER CB C 59.848 0.19 . 758 70 70 SER N N 116.020 0.14 . 759 71 71 ALA H H 7.911 0.008 . 760 71 71 ALA HA H 3.974 0.008 . 761 71 71 ALA HB H 1.337 0.008 . 762 71 71 ALA CA C 51.870 0.19 . 763 71 71 ALA CB C 15.067 0.19 . 764 71 71 ALA N N 123.444 0.14 . 765 72 72 PHE H H 7.882 0.008 . 766 72 72 PHE HA H 4.142 0.008 . 767 72 72 PHE HB2 H 3.193 0.008 . 768 72 72 PHE HB3 H 3.193 0.008 . 769 72 72 PHE HD1 H 7.175 0.008 . 770 72 72 PHE HD2 H 7.175 0.008 . 771 72 72 PHE HE1 H 7.252 0.008 . 772 72 72 PHE HE2 H 7.252 0.008 . 773 72 72 PHE HZ H 7.229 0.008 . 774 72 72 PHE C C 175.653 0.19 . 775 72 72 PHE CA C 58.917 0.19 . 776 72 72 PHE CB C 37.354 0.19 . 777 72 72 PHE CD2 C 128.760 0.19 . 778 72 72 PHE CE2 C 128.834 0.19 . 779 72 72 PHE CZ C 127.470 0.19 . 780 72 72 PHE N N 120.178 0.14 . 781 73 73 LEU H H 8.471 0.008 . 782 73 73 LEU HA H 3.753 0.008 . 783 73 73 LEU HB2 H 1.075 0.008 . 784 73 73 LEU HB3 H 1.856 0.008 . 785 73 73 LEU HG H 1.257 0.008 . 786 73 73 LEU HD1 H 0.335 0.008 . 787 73 73 LEU HD2 H 0.114 0.008 . 788 73 73 LEU C C 175.921 0.19 . 789 73 73 LEU CA C 55.684 0.19 . 790 73 73 LEU CB C 37.424 0.19 . 791 73 73 LEU CG C 23.748 0.19 . 792 73 73 LEU CD1 C 22.638 0.19 . 793 73 73 LEU CD2 C 18.860 0.19 . 794 73 73 LEU N N 121.921 0.14 . 795 74 74 CYS H H 8.298 0.008 . 796 74 74 CYS HA H 4.112 0.008 . 797 74 74 CYS HB2 H 2.954 0.008 . 798 74 74 CYS HB3 H 2.784 0.008 . 799 74 74 CYS C C 174.901 0.19 . 800 74 74 CYS CA C 61.104 0.19 . 801 74 74 CYS CB C 23.632 0.19 . 802 74 74 CYS N N 116.964 0.14 . 803 75 75 GLY H H 8.128 0.008 . 804 75 75 GLY HA3 H 3.758 0.008 . 805 75 75 GLY C C 173.633 0.19 . 806 75 75 GLY CA C 44.385 0.19 . 807 75 75 GLY N N 110.524 0.14 . 808 76 76 VAL H H 7.832 0.008 . 809 76 76 VAL HA H 3.511 0.008 . 810 76 76 VAL HB H 2.143 0.008 . 811 76 76 VAL HG1 H 0.866 0.008 . 812 76 76 VAL HG2 H 0.716 0.008 . 813 76 76 VAL CA C 63.391 0.19 . 814 76 76 VAL CB C 28.499 0.19 . 815 76 76 VAL CG1 C 19.977 0.19 . 816 76 76 VAL CG2 C 20.024 0.19 . 817 76 76 VAL N N 124.398 0.14 . 818 77 77 MET H H 7.915 0.008 . 819 77 77 MET HA H 3.755 0.008 . 820 77 77 MET HB2 H 2.336 0.008 . 821 77 77 MET HB3 H 2.080 0.008 . 822 77 77 MET HG2 H 2.495 0.008 . 823 77 77 MET HG3 H 1.998 0.008 . 824 77 77 MET HE H 1.972 0.008 . 825 77 77 MET CA C 57.770 0.19 . 826 77 77 MET CB C 31.029 0.19 . 827 77 77 MET CG C 31.706 0.19 . 828 77 77 MET CE C 15.994 0.19 . 829 77 77 MET N N 118.057 0.14 . 830 78 78 LYS H H 7.803 0.008 . 831 78 78 LYS HA H 3.967 0.008 . 832 78 78 LYS HB2 H 1.894 0.008 . 833 78 78 LYS HB3 H 1.894 0.008 . 834 78 78 LYS HG2 H 1.326 0.008 . 835 78 78 LYS HG3 H 1.478 0.008 . 836 78 78 LYS CA C 57.157 0.19 . 837 78 78 LYS CB C 29.592 0.19 . 838 78 78 LYS CG C 22.253 0.19 . 839 78 78 LYS N N 118.765 0.14 . 840 79 79 THR H H 7.941 0.008 . 841 79 79 THR HA H 3.893 0.008 . 842 79 79 THR HB H 4.135 0.008 . 843 79 79 THR HG2 H 1.131 0.008 . 844 79 79 THR CA C 62.715 0.19 . 845 79 79 THR CB C 65.978 0.19 . 846 79 79 THR CG2 C 19.157 0.19 . 847 79 79 THR N N 114.076 0.14 . 848 80 80 TYR H H 8.101 0.008 . 849 80 80 TYR HA H 4.018 0.008 . 850 80 80 TYR HB2 H 2.968 0.008 . 851 80 80 TYR HB3 H 3.205 0.008 . 852 80 80 TYR HD1 H 6.919 0.008 . 853 80 80 TYR HD2 H 6.919 0.008 . 854 80 80 TYR HE1 H 6.625 0.008 . 855 80 80 TYR HE2 H 6.625 0.008 . 856 80 80 TYR CA C 58.832 0.19 . 857 80 80 TYR CB C 36.159 0.19 . 858 80 80 TYR CD1 C 130.248 0.19 . 859 80 80 TYR CE1 C 115.122 0.19 . 860 80 80 TYR N N 123.194 0.14 . 861 81 81 ARG H H 8.048 0.008 . 862 81 81 ARG HA H 4.056 0.008 . 863 81 81 ARG HB2 H 1.851 0.008 . 864 81 81 ARG HB3 H 1.890 0.008 . 865 81 81 ARG HG2 H 1.662 0.008 . 866 81 81 ARG HG3 H 1.598 0.008 . 867 81 81 ARG CA C 55.189 0.19 . 868 81 81 ARG CB C 27.670 0.19 . 869 81 81 ARG CG C 24.791 0.19 . 870 81 81 ARG N N 118.541 0.14 . 871 82 82 GLN H H 7.675 0.008 . 872 82 82 GLN HA H 4.111 0.008 . 873 82 82 GLN HB2 H 2.025 0.008 . 874 82 82 GLN HB3 H 2.074 0.008 . 875 82 82 GLN HG2 H 2.324 0.008 . 876 82 82 GLN HG3 H 2.428 0.008 . 877 82 82 GLN HE21 H 6.756 0.008 . 878 82 82 GLN HE22 H 7.432 0.008 . 879 82 82 GLN CA C 53.880 0.19 . 880 82 82 GLN CB C 25.988 0.19 . 881 82 82 GLN CG C 31.123 0.19 . 882 82 82 GLN N N 117.664 0.14 . 883 82 82 GLN NE2 N 112.388 0.14 . 884 83 83 ARG H H 7.538 0.008 . 885 83 83 ARG HA H 4.115 0.008 . 886 83 83 ARG HB2 H 1.720 0.008 . 887 83 83 ARG HB3 H 1.661 0.008 . 888 83 83 ARG HG2 H 1.516 0.008 . 889 83 83 ARG HG3 H 1.516 0.008 . 890 83 83 ARG HD2 H 2.932 0.008 . 891 83 83 ARG HD3 H 2.932 0.008 . 892 83 83 ARG CA C 53.889 0.19 . 893 83 83 ARG CB C 27.811 0.19 . 894 83 83 ARG CG C 24.192 0.19 . 895 83 83 ARG CD C 40.580 0.19 . 896 83 83 ARG N N 119.552 0.14 . 897 84 84 GLU H H 8.010 0.008 . 898 84 84 GLU HA H 4.133 0.008 . 899 84 84 GLU HB2 H 1.817 0.008 . 900 84 84 GLU HB3 H 1.953 0.008 . 901 84 84 GLU HG2 H 2.169 0.008 . 902 84 84 GLU HG3 H 2.109 0.008 . 903 84 84 GLU CA C 53.838 0.19 . 904 84 84 GLU CB C 27.445 0.19 . 905 84 84 GLU CG C 33.334 0.19 . 906 84 84 GLU N N 121.362 0.14 . 907 85 85 LYS H H 7.724 0.008 . 908 85 85 LYS HA H 4.057 0.008 . 909 85 85 LYS HB2 H 1.719 0.008 . 910 85 85 LYS HB3 H 1.620 0.008 . 911 85 85 LYS HG2 H 1.802 0.008 . 912 85 85 LYS HG3 H 1.659 0.008 . 913 85 85 LYS HD2 H 1.890 0.008 . 914 85 85 LYS HD3 H 1.852 0.008 . 915 85 85 LYS HE2 H 3.021 0.008 . 916 85 85 LYS HE3 H 3.021 0.008 . 917 85 85 LYS CA C 55.126 0.19 . 918 85 85 LYS CB C 30.709 0.19 . 919 85 85 LYS CG C 24.953 0.19 . 920 85 85 LYS CD C 27.722 0.19 . 921 85 85 LYS CE C 40.454 0.19 . 922 85 85 LYS N N 126.682 0.14 . stop_ save_