data_27055 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the RNA recognition motif 2 (RRM2) of the splicing factor RBM10 ; _BMRB_accession_number 27055 _BMRB_flat_file_name bmr27055.str _Entry_type original _Submission_date 2017-03-23 _Accession_date 2017-03-23 _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 Qin Haina . . 2 Serrano Pedro . . 3 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 480 "13C chemical shifts" 291 "15N chemical shifts" 91 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-07-20 update BMRB 'update entry citation' 2017-04-25 original author 'original release' stop_ _Original_release_date 2017-03-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Splicing Site Recognition by Synergy of Three Domains in Splicing Factor RBM10 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29450990 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Serrano Pedro . . 2 Hammond John A. . 3 Geralt Michael . . 4 Wuthrich Kurt . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 57 _Journal_issue 10 _Journal_ISSN 1520-4995 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1563 _Page_last 1567 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RBM10_RRM2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label RBM10RRM2 $RBM_10RRM2 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_RBM_10RRM2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common RBM_10RRM2 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 89 _Mol_residue_sequence ; GHMDTIILRNLNPHSTMDSI LGALAPYAVLSSSNVRVIKD KQTQLNRGFAFIQLSTIVEA AQLLQILQALHPPLTIDGKT INVEFAKGS ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 HIS 3 MET 4 ASP 5 THR 6 ILE 7 ILE 8 LEU 9 ARG 10 ASN 11 LEU 12 ASN 13 PRO 14 HIS 15 SER 16 THR 17 MET 18 ASP 19 SER 20 ILE 21 LEU 22 GLY 23 ALA 24 LEU 25 ALA 26 PRO 27 TYR 28 ALA 29 VAL 30 LEU 31 SER 32 SER 33 SER 34 ASN 35 VAL 36 ARG 37 VAL 38 ILE 39 LYS 40 ASP 41 LYS 42 GLN 43 THR 44 GLN 45 LEU 46 ASN 47 ARG 48 GLY 49 PHE 50 ALA 51 PHE 52 ILE 53 GLN 54 LEU 55 SER 56 THR 57 ILE 58 VAL 59 GLU 60 ALA 61 ALA 62 GLN 63 LEU 64 LEU 65 GLN 66 ILE 67 LEU 68 GLN 69 ALA 70 LEU 71 HIS 72 PRO 73 PRO 74 LEU 75 THR 76 ILE 77 ASP 78 GLY 79 LYS 80 THR 81 ILE 82 ASN 83 VAL 84 GLU 85 PHE 86 ALA 87 LYS 88 GLY 89 SER 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 $RBM_10RRM2 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 $RBM_10RRM2 'recombinant technology' . Escherichia coli BL21DE3 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 $RBM_10RRM2 1.1 mM '[U-100% 13C]' 'sodium azide' 5 uM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Braun and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 'data analysis' processing stop_ _Details . save_ save_UNIO _Saveframe_category software _Name UNIO _Version . loop_ _Vendor _Address _Electronic_address Herrmann . . stop_ loop_ _Task 'chemical shift assignment' 'structure solution' stop_ _Details . 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_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_APSY_4D_ZANH_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 4D ZANH' _Sample_label $sample_1 save_ save_APSY_4D_ZAONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 4D ZAONH' _Sample_label $sample_1 save_ save_APSY_4D_BAONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 4D BAONH' _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' 0.220 . M 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 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' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '2D 1H-13C HSQC aromatic' 'APSY 4D ZANH' 'APSY 4D ZAONH' 'APSY 4D BAONH' 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 RBM10RRM2 _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 2 2 HIS HA H 4.450 0.000 . 2 2 2 HIS HB2 H 2.874 0.000 . 3 2 2 HIS HB3 H 2.952 0.000 . 4 2 2 HIS HD2 H 7.023 0.000 . 5 2 2 HIS CA C 52.913 0.000 . 6 2 2 HIS CB C 27.919 0.000 . 7 2 2 HIS CD2 C 122.248 0.000 . 8 4 4 ASP H H 7.851 0.000 . 9 4 4 ASP HA H 4.349 0.000 . 10 4 4 ASP HB2 H 2.078 0.000 . 11 4 4 ASP HB3 H 3.132 0.000 . 12 4 4 ASP CA C 50.583 0.000 . 13 4 4 ASP CB C 38.262 0.000 . 14 4 4 ASP N N 117.706 0.000 . 15 5 5 THR H H 7.720 0.000 . 16 5 5 THR HA H 5.471 0.000 . 17 5 5 THR HB H 4.005 0.000 . 18 5 5 THR HG2 H 1.079 0.000 . 19 5 5 THR CA C 59.007 0.000 . 20 5 5 THR CB C 69.334 0.000 . 21 5 5 THR CG2 C 18.836 0.000 . 22 5 5 THR N N 115.993 0.000 . 23 6 6 ILE H H 9.264 0.000 . 24 6 6 ILE HA H 4.799 0.000 . 25 6 6 ILE HB H 1.597 0.000 . 26 6 6 ILE HG12 H 1.334 0.000 . 27 6 6 ILE HG13 H 0.890 0.000 . 28 6 6 ILE HG2 H 0.588 0.000 . 29 6 6 ILE HD1 H 0.594 0.000 . 30 6 6 ILE CA C 56.809 0.000 . 31 6 6 ILE CB C 38.886 0.000 . 32 6 6 ILE CG1 C 24.819 0.000 . 33 6 6 ILE CG2 C 15.300 0.000 . 34 6 6 ILE CD1 C 11.390 0.000 . 35 6 6 ILE N N 126.403 0.000 . 36 7 7 ILE H H 9.398 0.000 . 37 7 7 ILE HA H 5.040 0.000 . 38 7 7 ILE HB H 1.444 0.000 . 39 7 7 ILE HG12 H 1.133 0.000 . 40 7 7 ILE HG13 H 0.625 0.000 . 41 7 7 ILE HG2 H 0.634 0.000 . 42 7 7 ILE HD1 H 0.495 0.000 . 43 7 7 ILE CA C 56.320 0.000 . 44 7 7 ILE CB C 39.233 0.000 . 45 7 7 ILE CG1 C 25.758 0.000 . 46 7 7 ILE CG2 C 13.677 0.000 . 47 7 7 ILE CD1 C 11.477 0.000 . 48 7 7 ILE N N 125.477 0.000 . 49 8 8 LEU H H 8.688 0.000 . 50 8 8 LEU HA H 4.797 0.000 . 51 8 8 LEU HB2 H 1.128 0.000 . 52 8 8 LEU HB3 H 1.518 0.000 . 53 8 8 LEU HD1 H 0.598 0.000 . 54 8 8 LEU HD2 H 0.593 0.000 . 55 8 8 LEU CA C 50.293 0.000 . 56 8 8 LEU CB C 40.290 0.000 . 57 8 8 LEU CD1 C 24.711 0.000 . 58 8 8 LEU CD2 C 23.231 0.000 . 59 8 8 LEU N N 127.093 0.000 . 60 9 9 ARG H H 8.740 0.000 . 61 9 9 ARG HA H 4.965 0.000 . 62 9 9 ARG HB2 H 1.560 0.000 . 63 9 9 ARG HB3 H 1.743 0.000 . 64 9 9 ARG HG3 H 1.379 0.000 . 65 9 9 ARG HD2 H 2.926 0.000 . 66 9 9 ARG HD3 H 2.952 0.000 . 67 9 9 ARG CA C 52.168 0.000 . 68 9 9 ARG CB C 31.582 0.000 . 69 9 9 ARG CG C 26.519 0.000 . 70 9 9 ARG CD C 40.942 0.000 . 71 9 9 ARG N N 121.046 0.000 . 72 10 10 ASN H H 8.226 0.000 . 73 10 10 ASN HA H 4.288 0.000 . 74 10 10 ASN HB2 H 3.515 0.000 . 75 10 10 ASN HB3 H 2.768 0.000 . 76 10 10 ASN HD21 H 6.735 0.000 . 77 10 10 ASN HD22 H 8.015 0.000 . 78 10 10 ASN CA C 51.678 0.000 . 79 10 10 ASN CB C 35.774 0.000 . 80 10 10 ASN N N 116.292 0.000 . 81 10 10 ASN ND2 N 114.264 0.000 . 82 11 11 LEU H H 7.623 0.000 . 83 11 11 LEU HA H 3.880 0.000 . 84 11 11 LEU HB2 H 0.987 0.000 . 85 11 11 LEU HB3 H 1.076 0.000 . 86 11 11 LEU HG H 1.289 0.000 . 87 11 11 LEU HD1 H 0.540 0.000 . 88 11 11 LEU CA C 52.120 0.000 . 89 11 11 LEU CB C 40.099 0.000 . 90 11 11 LEU CG C 24.617 0.000 . 91 11 11 LEU CD1 C 21.394 0.000 . 92 11 11 LEU CD2 C 11.810 0.000 . 93 11 11 LEU N N 115.150 0.000 . 94 12 12 ASN H H 9.777 0.000 . 95 12 12 ASN HA H 4.435 0.000 . 96 12 12 ASN HB2 H 3.599 0.000 . 97 12 12 ASN HB3 H 2.446 0.000 . 98 12 12 ASN HD21 H 7.286 0.000 . 99 12 12 ASN HD22 H 7.855 0.000 . 100 12 12 ASN CA C 48.890 0.000 . 101 12 12 ASN CB C 36.475 0.000 . 102 12 12 ASN N N 125.015 0.000 . 103 12 12 ASN ND2 N 114.949 0.000 . 104 13 13 PRO HA H 4.294 0.000 . 105 13 13 PRO HB2 H 1.510 0.000 . 106 13 13 PRO HB3 H 2.296 0.000 . 107 13 13 PRO HG3 H 1.841 0.000 . 108 13 13 PRO HD2 H 3.888 0.000 . 109 13 13 PRO HD3 H 3.741 0.000 . 110 13 13 PRO CA C 61.762 0.000 . 111 13 13 PRO CB C 30.487 0.000 . 112 13 13 PRO CG C 24.938 0.000 . 113 13 13 PRO CD C 48.869 0.000 . 114 14 14 HIS H H 8.639 0.000 . 115 14 14 HIS HA H 4.357 0.000 . 116 14 14 HIS HB2 H 2.780 0.000 . 117 14 14 HIS HB3 H 3.182 0.000 . 118 14 14 HIS HD2 H 7.145 0.000 . 119 14 14 HIS CA C 53.693 0.000 . 120 14 14 HIS CB C 27.139 0.000 . 121 14 14 HIS CD2 C 122.979 0.000 . 122 14 14 HIS N N 113.682 0.000 . 123 15 15 SER H H 8.172 0.000 . 124 15 15 SER HA H 4.338 0.000 . 125 15 15 SER HB2 H 3.505 0.000 . 126 15 15 SER HB3 H 3.717 0.000 . 127 15 15 SER CA C 59.045 0.000 . 128 15 15 SER CB C 60.529 0.000 . 129 15 15 SER N N 119.746 0.000 . 130 16 16 THR H H 8.415 0.000 . 131 16 16 THR HA H 4.502 0.000 . 132 16 16 THR HG2 H 1.263 0.000 . 133 16 16 THR CA C 56.640 0.000 . 134 16 16 THR CB C 70.105 0.000 . 135 16 16 THR CG2 C 19.290 0.000 . 136 16 16 THR N N 115.545 0.000 . 137 17 17 MET H H 8.901 0.000 . 138 17 17 MET HA H 3.887 0.000 . 139 17 17 MET HB2 H 2.022 0.000 . 140 17 17 MET HB3 H 2.087 0.000 . 141 17 17 MET HG2 H 2.453 0.000 . 142 17 17 MET HG3 H 2.336 0.000 . 143 17 17 MET CA C 56.291 0.000 . 144 17 17 MET CB C 29.103 0.000 . 145 17 17 MET CG C 28.921 0.000 . 146 17 17 MET N N 121.252 0.000 . 147 18 18 ASP H H 8.057 0.000 . 148 18 18 ASP HA H 4.272 0.000 . 149 18 18 ASP HB2 H 2.516 0.000 . 150 18 18 ASP HB3 H 2.446 0.000 . 151 18 18 ASP CA C 54.969 0.000 . 152 18 18 ASP CB C 38.087 0.000 . 153 18 18 ASP N N 117.058 0.000 . 154 19 19 SER H H 8.049 0.000 . 155 19 19 SER HA H 4.213 0.000 . 156 19 19 SER HB2 H 3.828 0.000 . 157 19 19 SER HB3 H 4.103 0.000 . 158 19 19 SER CA C 58.697 0.000 . 159 19 19 SER CB C 59.528 0.000 . 160 19 19 SER N N 120.449 0.000 . 161 20 20 ILE H H 7.930 0.000 . 162 20 20 ILE HA H 3.509 0.000 . 163 20 20 ILE HB H 1.740 0.000 . 164 20 20 ILE HG12 H 1.651 0.000 . 165 20 20 ILE HG13 H 0.642 0.000 . 166 20 20 ILE HG2 H 0.428 0.000 . 167 20 20 ILE HD1 H 0.544 0.000 . 168 20 20 ILE CA C 63.114 0.000 . 169 20 20 ILE CB C 35.905 0.000 . 170 20 20 ILE CG1 C 26.548 0.000 . 171 20 20 ILE CG2 C 11.794 0.000 . 172 20 20 ILE CD1 C 14.481 0.000 . 173 20 20 ILE N N 125.719 0.000 . 174 21 21 LEU H H 8.521 0.000 . 175 21 21 LEU HA H 3.780 0.000 . 176 21 21 LEU HB2 H 1.370 0.000 . 177 21 21 LEU HB3 H 1.776 0.000 . 178 21 21 LEU HG H 1.607 0.000 . 179 21 21 LEU HD1 H 0.557 0.000 . 180 21 21 LEU HD2 H 0.712 0.000 . 181 21 21 LEU CA C 55.645 0.000 . 182 21 21 LEU CB C 38.802 0.000 . 183 21 21 LEU CG C 24.391 0.000 . 184 21 21 LEU CD1 C 20.989 0.000 . 185 21 21 LEU CD2 C 23.134 0.000 . 186 21 21 LEU N N 119.551 0.000 . 187 22 22 GLY H H 8.179 0.000 . 188 22 22 GLY HA2 H 3.799 0.000 . 189 22 22 GLY HA3 H 3.799 0.000 . 190 22 22 GLY CA C 44.469 0.000 . 191 22 22 GLY N N 106.604 0.000 . 192 23 23 ALA H H 7.511 0.000 . 193 23 23 ALA HA H 4.213 0.000 . 194 23 23 ALA HB H 1.491 0.000 . 195 23 23 ALA CA C 51.098 0.000 . 196 23 23 ALA CB C 17.433 0.000 . 197 23 23 ALA N N 123.850 0.000 . 198 24 24 LEU H H 7.498 0.000 . 199 24 24 LEU HA H 4.478 0.000 . 200 24 24 LEU HB2 H 1.542 0.000 . 201 24 24 LEU HB3 H 1.733 0.000 . 202 24 24 LEU HG H 1.831 0.000 . 203 24 24 LEU HD1 H 0.648 0.000 . 204 24 24 LEU HD2 H 0.752 0.000 . 205 24 24 LEU CA C 52.245 0.000 . 206 24 24 LEU CB C 40.277 0.000 . 207 24 24 LEU CG C 25.110 0.000 . 208 24 24 LEU CD1 C 23.915 0.000 . 209 24 24 LEU CD2 C 21.565 0.000 . 210 24 24 LEU N N 114.679 0.000 . 211 25 25 ALA H H 7.366 0.000 . 212 25 25 ALA HA H 4.294 0.000 . 213 25 25 ALA HB H 1.450 0.000 . 214 25 25 ALA CA C 53.248 0.000 . 215 25 25 ALA CB C 14.293 0.000 . 216 25 25 ALA N N 125.037 0.000 . 217 26 26 PRO HA H 4.020 0.000 . 218 26 26 PRO HB2 H 1.841 0.000 . 219 26 26 PRO HB3 H 0.061 0.000 . 220 26 26 PRO HG2 H 1.453 0.000 . 221 26 26 PRO HG3 H 1.567 0.000 . 222 26 26 PRO HD2 H 3.436 0.000 . 223 26 26 PRO HD3 H 2.978 0.000 . 224 26 26 PRO CA C 61.866 0.000 . 225 26 26 PRO CB C 28.128 0.000 . 226 26 26 PRO CG C 25.413 0.000 . 227 26 26 PRO CD C 48.155 0.000 . 228 27 27 TYR H H 7.847 0.000 . 229 27 27 TYR HA H 4.493 0.000 . 230 27 27 TYR HB2 H 3.083 0.000 . 231 27 27 TYR HB3 H 2.502 0.000 . 232 27 27 TYR HD1 H 6.912 0.000 . 233 27 27 TYR HE1 H 6.684 0.000 . 234 27 27 TYR CA C 54.584 0.000 . 235 27 27 TYR CB C 37.730 0.000 . 236 27 27 TYR CD1 C 134.897 0.000 . 237 27 27 TYR CE1 C 120.579 0.000 . 238 27 27 TYR N N 115.612 0.000 . 239 28 28 ALA H H 8.009 0.000 . 240 28 28 ALA HA H 4.339 0.000 . 241 28 28 ALA HB H 1.156 0.000 . 242 28 28 ALA CA C 49.164 0.000 . 243 28 28 ALA CB C 19.526 0.000 . 244 28 28 ALA N N 121.645 0.000 . 245 29 29 VAL H H 8.429 0.000 . 246 29 29 VAL HA H 3.884 0.000 . 247 29 29 VAL HB H 1.916 0.000 . 248 29 29 VAL HG1 H 0.794 0.000 . 249 29 29 VAL HG2 H 0.859 0.000 . 250 29 29 VAL CA C 60.325 0.000 . 251 29 29 VAL CB C 28.357 0.000 . 252 29 29 VAL CG1 C 18.744 0.000 . 253 29 29 VAL CG2 C 18.637 0.000 . 254 29 29 VAL N N 124.236 0.000 . 255 30 30 LEU H H 7.906 0.000 . 256 30 30 LEU HA H 4.612 0.000 . 257 30 30 LEU HB2 H 1.553 0.000 . 258 30 30 LEU HB3 H 1.185 0.000 . 259 30 30 LEU HG H 1.271 0.000 . 260 30 30 LEU HD1 H 0.619 0.000 . 261 30 30 LEU HD2 H 0.601 0.000 . 262 30 30 LEU CA C 50.341 0.000 . 263 30 30 LEU CB C 43.411 0.000 . 264 30 30 LEU CG C 23.995 0.000 . 265 30 30 LEU CD1 C 20.872 0.000 . 266 30 30 LEU CD2 C 24.609 0.000 . 267 30 30 LEU N N 129.567 0.000 . 268 31 31 SER H H 8.688 0.000 . 269 31 31 SER HA H 4.755 0.000 . 270 31 31 SER HB2 H 3.772 0.000 . 271 31 31 SER HB3 H 3.826 0.000 . 272 31 31 SER CA C 53.957 0.000 . 273 31 31 SER CB C 63.698 0.000 . 274 31 31 SER N N 116.785 0.000 . 275 32 32 SER H H 9.064 0.000 . 276 32 32 SER HA H 4.258 0.000 . 277 32 32 SER HB2 H 3.993 0.000 . 278 32 32 SER HB3 H 3.873 0.000 . 279 32 32 SER CA C 58.837 0.000 . 280 32 32 SER CB C 60.060 0.000 . 281 32 32 SER N N 119.566 0.000 . 282 33 33 SER H H 7.942 0.000 . 283 33 33 SER HA H 4.246 0.000 . 284 33 33 SER HB2 H 3.775 0.000 . 285 33 33 SER HB3 H 3.735 0.000 . 286 33 33 SER CA C 57.890 0.000 . 287 33 33 SER CB C 60.307 0.000 . 288 33 33 SER N N 116.407 0.000 . 289 34 34 ASN H H 8.009 0.000 . 290 34 34 ASN HA H 4.845 0.000 . 291 34 34 ASN HB2 H 3.226 0.000 . 292 34 34 ASN HB3 H 2.709 0.000 . 293 34 34 ASN HD21 H 8.005 0.000 . 294 34 34 ASN HD22 H 7.090 0.000 . 295 34 34 ASN CA C 52.705 0.000 . 296 34 34 ASN CB C 39.269 0.000 . 297 34 34 ASN N N 117.969 0.000 . 298 34 34 ASN ND2 N 111.803 0.000 . 299 35 35 VAL H H 7.405 0.000 . 300 35 35 VAL HA H 4.840 0.000 . 301 35 35 VAL HB H 1.930 0.000 . 302 35 35 VAL HG1 H 0.773 0.000 . 303 35 35 VAL HG2 H 0.680 0.000 . 304 35 35 VAL CA C 58.804 0.000 . 305 35 35 VAL CB C 31.699 0.000 . 306 35 35 VAL CG1 C 19.106 0.000 . 307 35 35 VAL CG2 C 18.976 0.000 . 308 35 35 VAL N N 120.346 0.000 . 309 36 36 ARG H H 8.996 0.000 . 310 36 36 ARG HA H 4.700 0.000 . 311 36 36 ARG HB2 H 1.783 0.000 . 312 36 36 ARG HB3 H 1.783 0.000 . 313 36 36 ARG HG2 H 1.552 0.000 . 314 36 36 ARG HG3 H 1.478 0.000 . 315 36 36 ARG HD2 H 2.816 0.000 . 316 36 36 ARG CA C 52.145 0.000 . 317 36 36 ARG CB C 30.329 0.000 . 318 36 36 ARG CG C 24.910 0.000 . 319 36 36 ARG CD C 39.377 0.000 . 320 36 36 ARG N N 127.685 0.000 . 321 37 37 VAL H H 8.796 0.000 . 322 37 37 VAL HA H 3.837 0.000 . 323 37 37 VAL HB H 1.821 0.000 . 324 37 37 VAL HG2 H 0.609 0.000 . 325 37 37 VAL CA C 59.185 0.000 . 326 37 37 VAL CB C 30.060 0.000 . 327 37 37 VAL CG1 C 21.340 0.000 . 328 37 37 VAL CG2 C 19.111 0.000 . 329 37 37 VAL N N 127.117 0.000 . 330 38 38 ILE H H 7.218 0.000 . 331 38 38 ILE HA H 4.048 0.000 . 332 38 38 ILE HB H 1.213 0.000 . 333 38 38 ILE HG12 H 1.231 0.000 . 334 38 38 ILE HG13 H 1.231 0.000 . 335 38 38 ILE HG2 H 0.690 0.000 . 336 38 38 ILE HD1 H 0.698 0.000 . 337 38 38 ILE CA C 57.000 0.000 . 338 38 38 ILE CB C 32.813 0.000 . 339 38 38 ILE CG1 C 24.724 0.000 . 340 38 38 ILE CG2 C 15.147 0.000 . 341 38 38 ILE CD1 C 7.421 0.000 . 342 38 38 ILE N N 129.281 0.000 . 343 39 39 LYS H H 8.580 0.000 . 344 39 39 LYS HA H 4.512 0.000 . 345 39 39 LYS HB2 H 1.486 0.000 . 346 39 39 LYS HB3 H 1.383 0.000 . 347 39 39 LYS HG2 H 1.092 0.000 . 348 39 39 LYS HG3 H 1.181 0.000 . 349 39 39 LYS HD2 H 1.382 0.000 . 350 39 39 LYS HD3 H 1.438 0.000 . 351 39 39 LYS CA C 52.389 0.000 . 352 39 39 LYS CB C 32.493 0.000 . 353 39 39 LYS CG C 21.907 0.000 . 354 39 39 LYS CD C 26.563 0.000 . 355 39 39 LYS N N 129.015 0.000 . 356 40 40 ASP H H 8.520 0.000 . 357 40 40 ASP HA H 4.460 0.000 . 358 40 40 ASP HB2 H 2.161 0.000 . 359 40 40 ASP HB3 H 2.914 0.000 . 360 40 40 ASP CA C 51.048 0.000 . 361 40 40 ASP CB C 40.271 0.000 . 362 40 40 ASP N N 124.865 0.000 . 363 41 41 LYS H H 8.745 0.000 . 364 41 41 LYS HA H 3.887 0.000 . 365 41 41 LYS HB2 H 1.781 0.000 . 366 41 41 LYS HG2 H 1.374 0.000 . 367 41 41 LYS HG3 H 1.410 0.000 . 368 41 41 LYS HD2 H 1.616 0.000 . 369 41 41 LYS HE2 H 2.946 0.000 . 370 41 41 LYS HE3 H 3.085 0.000 . 371 41 41 LYS CA C 56.147 0.000 . 372 41 41 LYS CB C 30.052 0.000 . 373 41 41 LYS CG C 22.635 0.000 . 374 41 41 LYS CD C 26.715 0.000 . 375 41 41 LYS CE C 40.957 0.000 . 376 41 41 LYS N N 127.565 0.000 . 377 42 42 GLN H H 8.532 0.000 . 378 42 42 GLN HA H 4.229 0.000 . 379 42 42 GLN HB2 H 2.101 0.000 . 380 42 42 GLN HB3 H 2.101 0.000 . 381 42 42 GLN HG2 H 2.306 0.000 . 382 42 42 GLN HG3 H 2.269 0.000 . 383 42 42 GLN HE21 H 6.675 0.000 . 384 42 42 GLN HE22 H 7.225 0.000 . 385 42 42 GLN CA C 55.063 0.000 . 386 42 42 GLN CB C 26.822 0.000 . 387 42 42 GLN CG C 31.913 0.000 . 388 42 42 GLN N N 118.253 0.000 . 389 42 42 GLN NE2 N 112.689 0.000 . 390 43 43 THR H H 7.879 0.000 . 391 43 43 THR HA H 4.229 0.000 . 392 43 43 THR HB H 4.188 0.000 . 393 43 43 THR HG2 H 1.096 0.000 . 394 43 43 THR CA C 59.309 0.000 . 395 43 43 THR CB C 67.949 0.000 . 396 43 43 THR CG2 C 18.716 0.000 . 397 43 43 THR N N 110.112 0.000 . 398 44 44 GLN H H 8.156 0.000 . 399 44 44 GLN HA H 3.808 0.000 . 400 44 44 GLN HB2 H 2.267 0.000 . 401 44 44 GLN HB3 H 2.204 0.000 . 402 44 44 GLN HG2 H 2.124 0.000 . 403 44 44 GLN HG3 H 2.253 0.000 . 404 44 44 GLN HE21 H 6.764 0.000 . 405 44 44 GLN HE22 H 7.382 0.000 . 406 44 44 GLN CA C 54.713 0.000 . 407 44 44 GLN CB C 23.997 0.000 . 408 44 44 GLN CG C 31.516 0.000 . 409 44 44 GLN N N 115.372 0.000 . 410 44 44 GLN NE2 N 114.975 0.000 . 411 45 45 LEU H H 7.652 0.000 . 412 45 45 LEU HA H 4.426 0.000 . 413 45 45 LEU HB2 H 1.273 0.000 . 414 45 45 LEU HB3 H 1.444 0.000 . 415 45 45 LEU HG H 1.376 0.000 . 416 45 45 LEU HD1 H 0.628 0.000 . 417 45 45 LEU HD2 H 0.393 0.000 . 418 45 45 LEU CA C 51.056 0.000 . 419 45 45 LEU CB C 39.793 0.000 . 420 45 45 LEU CG C 24.118 0.000 . 421 45 45 LEU CD1 C 22.583 0.000 . 422 45 45 LEU CD2 C 19.689 0.000 . 423 45 45 LEU N N 121.044 0.000 . 424 46 46 ASN H H 8.726 0.000 . 425 46 46 ASN HA H 4.901 0.000 . 426 46 46 ASN HB2 H 2.667 0.000 . 427 46 46 ASN HB3 H 2.517 0.000 . 428 46 46 ASN HD21 H 7.198 0.000 . 429 46 46 ASN HD22 H 7.033 0.000 . 430 46 46 ASN CA C 50.686 0.000 . 431 46 46 ASN CB C 36.805 0.000 . 432 46 46 ASN N N 119.367 0.000 . 433 46 46 ASN ND2 N 116.094 0.000 . 434 47 47 ARG H H 8.323 0.000 . 435 47 47 ARG HA H 4.161 0.000 . 436 47 47 ARG HB2 H 1.073 0.000 . 437 47 47 ARG HB3 H 2.007 0.000 . 438 47 47 ARG HG3 H 1.453 0.000 . 439 47 47 ARG HD2 H 3.066 0.000 . 440 47 47 ARG HD3 H 3.087 0.000 . 441 47 47 ARG CA C 53.779 0.000 . 442 47 47 ARG CB C 28.165 0.000 . 443 47 47 ARG CG C 25.477 0.000 . 444 47 47 ARG CD C 40.813 0.000 . 445 47 47 ARG N N 119.392 0.000 . 446 48 48 GLY H H 9.384 0.000 . 447 48 48 GLY HA2 H 4.422 0.000 . 448 48 48 GLY HA3 H 3.564 0.000 . 449 48 48 GLY CA C 42.959 0.000 . 450 48 48 GLY N N 109.251 0.000 . 451 49 49 PHE H H 6.760 0.000 . 452 49 49 PHE HA H 5.739 0.000 . 453 49 49 PHE HB2 H 2.984 0.000 . 454 49 49 PHE HB3 H 2.637 0.000 . 455 49 49 PHE HD1 H 6.578 0.000 . 456 49 49 PHE HE1 H 7.216 0.000 . 457 49 49 PHE HZ H 7.251 0.000 . 458 49 49 PHE CA C 51.621 0.000 . 459 49 49 PHE CB C 39.482 0.000 . 460 49 49 PHE CD1 C 134.393 0.000 . 461 49 49 PHE CE1 C 133.820 0.000 . 462 49 49 PHE CZ C 131.930 0.000 . 463 49 49 PHE N N 115.379 0.000 . 464 50 50 ALA H H 8.426 0.000 . 465 50 50 ALA HA H 4.824 0.000 . 466 50 50 ALA HB H 1.012 0.000 . 467 50 50 ALA CA C 47.300 0.000 . 468 50 50 ALA CB C 21.346 0.000 . 469 50 50 ALA N N 120.405 0.000 . 470 51 51 PHE H H 8.820 0.000 . 471 51 51 PHE HA H 5.419 0.000 . 472 51 51 PHE HB2 H 2.786 0.000 . 473 51 51 PHE HB3 H 2.828 0.000 . 474 51 51 PHE HD2 H 7.025 0.000 . 475 51 51 PHE HE1 H 7.338 0.000 . 476 51 51 PHE HZ H 7.292 0.000 . 477 51 51 PHE CA C 53.637 0.000 . 478 51 51 PHE CB C 39.685 0.000 . 479 51 51 PHE CD2 C 133.562 0.000 . 480 51 51 PHE CE1 C 133.637 0.000 . 481 51 51 PHE CZ C 132.092 0.000 . 482 51 51 PHE N N 119.343 0.000 . 483 52 52 ILE H H 9.402 0.000 . 484 52 52 ILE HA H 4.956 0.000 . 485 52 52 ILE HB H 1.789 0.000 . 486 52 52 ILE HG12 H 1.032 0.000 . 487 52 52 ILE HG13 H 1.195 0.000 . 488 52 52 ILE HG2 H 0.544 0.000 . 489 52 52 ILE HD1 H 0.635 0.000 . 490 52 52 ILE CA C 56.579 0.000 . 491 52 52 ILE CB C 36.191 0.000 . 492 52 52 ILE CG1 C 24.378 0.000 . 493 52 52 ILE CG2 C 10.776 0.000 . 494 52 52 ILE CD1 C 15.673 0.000 . 495 52 52 ILE N N 123.453 0.000 . 496 53 53 GLN H H 9.116 0.000 . 497 53 53 GLN HA H 4.927 0.000 . 498 53 53 GLN HB2 H 1.696 0.000 . 499 53 53 GLN HB3 H 2.015 0.000 . 500 53 53 GLN HG2 H 2.123 0.000 . 501 53 53 GLN HE21 H 6.493 0.000 . 502 53 53 GLN HE22 H 7.603 0.000 . 503 53 53 GLN CA C 52.327 0.000 . 504 53 53 GLN CB C 28.162 0.000 . 505 53 53 GLN CG C 31.097 0.000 . 506 53 53 GLN N N 130.640 0.000 . 507 53 53 GLN NE2 N 113.763 0.000 . 508 54 54 LEU H H 8.765 0.000 . 509 54 54 LEU HA H 4.730 0.000 . 510 54 54 LEU HB2 H 1.758 0.000 . 511 54 54 LEU HB3 H 2.015 0.000 . 512 54 54 LEU HG H 1.559 0.000 . 513 54 54 LEU HD1 H 0.813 0.000 . 514 54 54 LEU HD2 H 0.873 0.000 . 515 54 54 LEU CA C 50.091 0.000 . 516 54 54 LEU CB C 39.395 0.000 . 517 54 54 LEU CG C 26.464 0.000 . 518 54 54 LEU CD1 C 21.136 0.000 . 519 54 54 LEU CD2 C 22.482 0.000 . 520 54 54 LEU N N 130.468 0.000 . 521 55 55 SER H H 8.644 0.000 . 522 55 55 SER HA H 4.126 0.000 . 523 55 55 SER HB2 H 3.909 0.000 . 524 55 55 SER HB3 H 3.967 0.000 . 525 55 55 SER CA C 59.034 0.000 . 526 55 55 SER CB C 61.144 0.000 . 527 55 55 SER N N 114.464 0.000 . 528 56 56 THR H H 7.204 0.000 . 529 56 56 THR HA H 4.834 0.000 . 530 56 56 THR HB H 4.528 0.000 . 531 56 56 THR HG2 H 1.156 0.000 . 532 56 56 THR CA C 56.306 0.000 . 533 56 56 THR CB C 71.536 0.000 . 534 56 56 THR CG2 C 19.557 0.000 . 535 56 56 THR N N 107.759 0.000 . 536 57 57 ILE H H 8.568 0.000 . 537 57 57 ILE HA H 3.935 0.000 . 538 57 57 ILE HB H 1.811 0.000 . 539 57 57 ILE HG12 H 1.550 0.000 . 540 57 57 ILE HG13 H 0.993 0.000 . 541 57 57 ILE HG2 H 0.800 0.000 . 542 57 57 ILE HD1 H 0.750 0.000 . 543 57 57 ILE CA C 61.607 0.000 . 544 57 57 ILE CB C 35.337 0.000 . 545 57 57 ILE CG1 C 25.308 0.000 . 546 57 57 ILE CG2 C 14.926 0.000 . 547 57 57 ILE CD1 C 11.788 0.000 . 548 57 57 ILE N N 120.698 0.000 . 549 58 58 VAL H H 7.475 0.000 . 550 58 58 VAL HA H 3.729 0.000 . 551 58 58 VAL HB H 1.872 0.000 . 552 58 58 VAL HG1 H 0.840 0.000 . 553 58 58 VAL HG2 H 0.958 0.000 . 554 58 58 VAL CA C 63.403 0.000 . 555 58 58 VAL CB C 29.529 0.000 . 556 58 58 VAL CG1 C 18.315 0.000 . 557 58 58 VAL CG2 C 20.111 0.000 . 558 58 58 VAL N N 122.374 0.000 . 559 59 59 GLU H H 7.757 0.000 . 560 59 59 GLU HA H 3.967 0.000 . 561 59 59 GLU HB2 H 2.006 0.000 . 562 59 59 GLU HB3 H 2.006 0.000 . 563 59 59 GLU HG2 H 2.216 0.000 . 564 59 59 GLU HG3 H 2.216 0.000 . 565 59 59 GLU CA C 56.674 0.000 . 566 59 59 GLU CB C 28.303 0.000 . 567 59 59 GLU CG C 35.000 0.000 . 568 59 59 GLU N N 121.345 0.000 . 569 60 60 ALA H H 7.731 0.000 . 570 60 60 ALA HA H 3.920 0.000 . 571 60 60 ALA HB H 1.555 0.000 . 572 60 60 ALA CA C 53.067 0.000 . 573 60 60 ALA CB C 14.020 0.000 . 574 60 60 ALA N N 123.368 0.000 . 575 61 61 ALA H H 8.362 0.000 . 576 61 61 ALA HA H 4.059 0.000 . 577 61 61 ALA HB H 1.488 0.000 . 578 61 61 ALA CA C 52.698 0.000 . 579 61 61 ALA CB C 15.653 0.000 . 580 61 61 ALA N N 120.957 0.000 . 581 62 62 GLN H H 8.127 0.000 . 582 62 62 GLN HA H 3.939 0.000 . 583 62 62 GLN HB2 H 2.121 0.000 . 584 62 62 GLN HB3 H 1.996 0.000 . 585 62 62 GLN HG2 H 2.302 0.000 . 586 62 62 GLN HG3 H 2.490 0.000 . 587 62 62 GLN HE21 H 7.305 0.000 . 588 62 62 GLN HE22 H 6.732 0.000 . 589 62 62 GLN CA C 56.169 0.000 . 590 62 62 GLN CB C 26.110 0.000 . 591 62 62 GLN CG C 31.923 0.000 . 592 62 62 GLN N N 118.478 0.000 . 593 62 62 GLN NE2 N 112.708 0.000 . 594 63 63 LEU H H 7.869 0.000 . 595 63 63 LEU HA H 4.127 0.000 . 596 63 63 LEU HB2 H 1.729 0.000 . 597 63 63 LEU HB3 H 1.529 0.000 . 598 63 63 LEU HG H 0.757 0.000 . 599 63 63 LEU HD2 H 0.846 0.000 . 600 63 63 LEU CA C 54.812 0.000 . 601 63 63 LEU CB C 38.153 0.000 . 602 63 63 LEU CG C 24.163 0.000 . 603 63 63 LEU CD2 C 20.729 0.000 . 604 63 63 LEU N N 121.347 0.000 . 605 64 64 LEU H H 8.291 0.000 . 606 64 64 LEU HA H 3.456 0.000 . 607 64 64 LEU HB2 H 1.460 0.000 . 608 64 64 LEU HB3 H 1.101 0.000 . 609 64 64 LEU HG H 1.452 0.000 . 610 64 64 LEU HD1 H 0.072 0.000 . 611 64 64 LEU HD2 H 0.684 0.000 . 612 64 64 LEU CA C 56.708 0.000 . 613 64 64 LEU CB C 38.817 0.000 . 614 64 64 LEU CG C 25.372 0.000 . 615 64 64 LEU CD1 C 22.591 0.000 . 616 64 64 LEU CD2 C 19.738 0.000 . 617 64 64 LEU N N 121.255 0.000 . 618 65 65 GLN H H 8.229 0.000 . 619 65 65 GLN HA H 4.470 0.000 . 620 65 65 GLN HB2 H 1.657 0.000 . 621 65 65 GLN HB3 H 1.797 0.000 . 622 65 65 GLN HG2 H 2.095 0.000 . 623 65 65 GLN HG3 H 2.257 0.000 . 624 65 65 GLN HE22 H 7.820 0.000 . 625 65 65 GLN CA C 51.211 0.000 . 626 65 65 GLN CB C 28.867 0.000 . 627 65 65 GLN CG C 29.661 0.000 . 628 65 65 GLN N N 122.419 0.000 . 629 66 66 ILE H H 7.720 0.000 . 630 66 66 ILE HA H 3.547 0.000 . 631 66 66 ILE HB H 1.890 0.000 . 632 66 66 ILE HG12 H 1.743 0.000 . 633 66 66 ILE HG13 H 1.100 0.000 . 634 66 66 ILE HG2 H 0.728 0.000 . 635 66 66 ILE HD1 H 0.890 0.000 . 636 66 66 ILE CA C 61.948 0.000 . 637 66 66 ILE CB C 36.005 0.000 . 638 66 66 ILE CG1 C 26.914 0.000 . 639 66 66 ILE CG2 C 14.590 0.000 . 640 66 66 ILE CD1 C 11.097 0.000 . 641 66 66 ILE N N 121.334 0.000 . 642 67 67 LEU H H 8.281 0.000 . 643 67 67 LEU HA H 3.724 0.000 . 644 67 67 LEU HB2 H 1.078 0.000 . 645 67 67 LEU HB3 H 1.702 0.000 . 646 67 67 LEU HG H 0.511 0.000 . 647 67 67 LEU HD1 H 0.728 0.000 . 648 67 67 LEU HD2 H 0.372 0.000 . 649 67 67 LEU CA C 54.433 0.000 . 650 67 67 LEU CB C 39.348 0.000 . 651 67 67 LEU CG C 23.142 0.000 . 652 67 67 LEU CD1 C 14.555 0.000 . 653 67 67 LEU CD2 C 19.701 0.000 . 654 67 67 LEU N N 117.947 0.000 . 655 68 68 GLN H H 8.492 0.000 . 656 68 68 GLN HA H 3.935 0.000 . 657 68 68 GLN HB2 H 1.921 0.000 . 658 68 68 GLN HB3 H 1.992 0.000 . 659 68 68 GLN HG2 H 2.273 0.000 . 660 68 68 GLN HG3 H 2.273 0.000 . 661 68 68 GLN HE22 H 7.124 0.000 . 662 68 68 GLN CA C 55.959 0.000 . 663 68 68 GLN CB C 25.555 0.000 . 664 68 68 GLN CG C 32.410 0.000 . 665 68 68 GLN N N 117.605 0.000 . 666 68 68 GLN NE2 N 111.939 0.000 . 667 69 69 ALA H H 7.163 0.000 . 668 69 69 ALA HA H 4.321 0.000 . 669 69 69 ALA HB H 1.371 0.000 . 670 69 69 ALA CA C 49.218 0.000 . 671 69 69 ALA CB C 16.854 0.000 . 672 69 69 ALA N N 121.649 0.000 . 673 70 70 LEU H H 6.653 0.000 . 674 70 70 LEU HA H 3.877 0.000 . 675 70 70 LEU HB2 H 1.545 0.000 . 676 70 70 LEU HB3 H 1.439 0.000 . 677 70 70 LEU HG H 1.870 0.000 . 678 70 70 LEU HD1 H 0.510 0.000 . 679 70 70 LEU HD2 H 0.594 0.000 . 680 70 70 LEU CA C 53.565 0.000 . 681 70 70 LEU CB C 40.040 0.000 . 682 70 70 LEU CG C 23.220 0.000 . 683 70 70 LEU CD1 C 23.059 0.000 . 684 70 70 LEU CD2 C 19.877 0.000 . 685 70 70 LEU N N 121.010 0.000 . 686 71 71 HIS H H 8.211 0.000 . 687 71 71 HIS HA H 4.333 0.000 . 688 71 71 HIS HB2 H 2.965 0.000 . 689 71 71 HIS HB3 H 2.885 0.000 . 690 71 71 HIS HD2 H 6.893 0.000 . 691 71 71 HIS CA C 51.254 0.000 . 692 71 71 HIS CB C 29.119 0.000 . 693 71 71 HIS CD2 C 122.000 0.000 . 694 71 71 HIS N N 122.123 0.000 . 695 72 72 PRO HA H 4.498 0.000 . 696 72 72 PRO HB2 H 2.301 0.000 . 697 72 72 PRO HB3 H 1.931 0.000 . 698 72 72 PRO HG2 H 1.896 0.000 . 699 72 72 PRO HG3 H 1.813 0.000 . 700 72 72 PRO HD2 H 3.396 0.000 . 701 72 72 PRO HD3 H 3.625 0.000 . 702 72 72 PRO CA C 59.938 0.000 . 703 72 72 PRO CB C 30.138 0.000 . 704 72 72 PRO CG C 25.175 0.000 . 705 72 72 PRO CD C 47.463 0.000 . 706 73 73 PRO HA H 4.493 0.000 . 707 73 73 PRO HB2 H 2.303 0.000 . 708 73 73 PRO HB3 H 2.303 0.000 . 709 73 73 PRO HG2 H 1.780 0.000 . 710 73 73 PRO HG3 H 1.715 0.000 . 711 73 73 PRO HD2 H 3.441 0.000 . 712 73 73 PRO HD3 H 3.379 0.000 . 713 73 73 PRO CA C 59.878 0.000 . 714 73 73 PRO CB C 30.147 0.000 . 715 73 73 PRO CG C 22.954 0.000 . 716 73 73 PRO CD C 47.471 0.000 . 717 74 74 LEU H H 8.386 0.000 . 718 74 74 LEU HA H 3.928 0.000 . 719 74 74 LEU HB2 H 1.165 0.000 . 720 74 74 LEU HB3 H 1.704 0.000 . 721 74 74 LEU HG H 1.178 0.000 . 722 74 74 LEU HD1 H 0.599 0.000 . 723 74 74 LEU HD2 H 0.776 0.000 . 724 74 74 LEU CA C 53.584 0.000 . 725 74 74 LEU CB C 39.648 0.000 . 726 74 74 LEU CG C 24.682 0.000 . 727 74 74 LEU CD1 C 24.465 0.000 . 728 74 74 LEU CD2 C 20.116 0.000 . 729 74 74 LEU N N 123.286 0.000 . 730 75 75 THR H H 8.123 0.000 . 731 75 75 THR HA H 5.255 0.000 . 732 75 75 THR HB H 3.699 0.000 . 733 75 75 THR HG2 H 0.859 0.000 . 734 75 75 THR CA C 57.334 0.000 . 735 75 75 THR CB C 69.231 0.000 . 736 75 75 THR CG2 C 17.812 0.000 . 737 75 75 THR N N 123.191 0.000 . 738 76 76 ILE H H 8.282 0.000 . 739 76 76 ILE HA H 4.151 0.000 . 740 76 76 ILE HB H 1.553 0.000 . 741 76 76 ILE HG12 H 0.759 0.000 . 742 76 76 ILE HG13 H 1.285 0.000 . 743 76 76 ILE HG2 H 0.561 0.000 . 744 76 76 ILE HD1 H 0.586 0.000 . 745 76 76 ILE CA C 58.189 0.000 . 746 76 76 ILE CB C 37.750 0.000 . 747 76 76 ILE CG1 C 24.152 0.000 . 748 76 76 ILE CG2 C 14.108 0.000 . 749 76 76 ILE CD1 C 11.421 0.000 . 750 76 76 ILE N N 123.188 0.000 . 751 77 77 ASP H H 9.795 0.000 . 752 77 77 ASP HA H 4.263 0.000 . 753 77 77 ASP HB2 H 2.777 0.000 . 754 77 77 ASP HB3 H 2.401 0.000 . 755 77 77 ASP CA C 53.210 0.000 . 756 77 77 ASP CB C 37.365 0.000 . 757 77 77 ASP N N 132.395 0.000 . 758 78 78 GLY H H 8.586 0.000 . 759 78 78 GLY HA2 H 3.488 0.000 . 760 78 78 GLY HA3 H 4.019 0.000 . 761 78 78 GLY CA C 42.978 0.000 . 762 78 78 GLY N N 104.027 0.000 . 763 79 79 LYS H H 7.398 0.000 . 764 79 79 LYS HA H 4.597 0.000 . 765 79 79 LYS HB2 H 1.715 0.000 . 766 79 79 LYS HB3 H 1.933 0.000 . 767 79 79 LYS HG3 H 1.365 0.000 . 768 79 79 LYS CA C 50.356 0.000 . 769 79 79 LYS CB C 31.245 0.000 . 770 79 79 LYS CG C 21.148 0.000 . 771 79 79 LYS N N 121.799 0.000 . 772 80 80 THR H H 8.556 0.000 . 773 80 80 THR HA H 4.362 0.000 . 774 80 80 THR HB H 3.921 0.000 . 775 80 80 THR HG2 H 1.046 0.000 . 776 80 80 THR CA C 60.405 0.000 . 777 80 80 THR CB C 66.146 0.000 . 778 80 80 THR CG2 C 19.870 0.000 . 779 80 80 THR N N 120.724 0.000 . 780 81 81 ILE H H 8.468 0.000 . 781 81 81 ILE HA H 4.379 0.000 . 782 81 81 ILE HB H 1.722 0.000 . 783 81 81 ILE HG12 H 1.682 0.000 . 784 81 81 ILE HG13 H 1.682 0.000 . 785 81 81 ILE HG2 H 0.785 0.000 . 786 81 81 ILE HD1 H 0.457 0.000 . 787 81 81 ILE CA C 55.016 0.000 . 788 81 81 ILE CB C 35.109 0.000 . 789 81 81 ILE CG1 C 25.054 0.000 . 790 81 81 ILE CG2 C 16.814 0.000 . 791 81 81 ILE CD1 C 8.091 0.000 . 792 81 81 ILE N N 131.108 0.000 . 793 82 82 ASN H H 7.801 0.000 . 794 82 82 ASN HA H 4.882 0.000 . 795 82 82 ASN HB2 H 2.593 0.000 . 796 82 82 ASN HB3 H 2.389 0.000 . 797 82 82 ASN HD21 H 6.841 0.000 . 798 82 82 ASN HD22 H 7.529 0.000 . 799 82 82 ASN CA C 49.877 0.000 . 800 82 82 ASN CB C 38.823 0.000 . 801 82 82 ASN N N 125.297 0.000 . 802 82 82 ASN ND2 N 113.682 0.000 . 803 83 83 VAL H H 8.586 0.000 . 804 83 83 VAL HA H 5.039 0.000 . 805 83 83 VAL HB H 1.725 0.000 . 806 83 83 VAL HG1 H 0.680 0.000 . 807 83 83 VAL HG2 H 0.685 0.000 . 808 83 83 VAL CA C 57.659 0.000 . 809 83 83 VAL CB C 31.676 0.000 . 810 83 83 VAL CG1 C 19.677 0.000 . 811 83 83 VAL CG2 C 18.451 0.000 . 812 83 83 VAL N N 123.058 0.000 . 813 84 84 GLU H H 8.250 0.000 . 814 84 84 GLU HA H 4.478 0.000 . 815 84 84 GLU HB2 H 1.745 0.000 . 816 84 84 GLU HB3 H 2.083 0.000 . 817 84 84 GLU HG2 H 2.091 0.000 . 818 84 84 GLU HG3 H 2.008 0.000 . 819 84 84 GLU CA C 51.985 0.000 . 820 84 84 GLU CB C 31.665 0.000 . 821 84 84 GLU CG C 33.363 0.000 . 822 84 84 GLU N N 124.050 0.000 . 823 85 85 PHE H H 8.435 0.000 . 824 85 85 PHE HA H 4.778 0.000 . 825 85 85 PHE HB2 H 3.188 0.000 . 826 85 85 PHE HB3 H 2.700 0.000 . 827 85 85 PHE HD1 H 7.155 0.000 . 828 85 85 PHE HD2 H 7.202 0.000 . 829 85 85 PHE HE1 H 7.065 0.000 . 830 85 85 PHE CA C 57.236 0.000 . 831 85 85 PHE CB C 37.656 0.000 . 832 85 85 PHE CD1 C 133.871 0.000 . 833 85 85 PHE CD2 C 133.820 0.000 . 834 85 85 PHE CE1 C 131.537 0.000 . 835 86 86 ALA H H 8.435 0.000 . 836 86 86 ALA HA H 4.272 0.000 . 837 86 86 ALA HB H 1.304 0.000 . 838 86 86 ALA CA C 49.457 0.000 . 839 86 86 ALA CB C 17.032 0.000 . 840 86 86 ALA N N 125.809 0.000 . 841 87 87 LYS H H 8.421 0.000 . 842 87 87 LYS HA H 4.183 0.000 . 843 87 87 LYS HB2 H 1.637 0.000 . 844 87 87 LYS HB3 H 1.727 0.000 . 845 87 87 LYS HG2 H 1.315 0.000 . 846 87 87 LYS HG3 H 1.355 0.000 . 847 87 87 LYS CA C 53.759 0.000 . 848 87 87 LYS CB C 31.065 0.000 . 849 87 87 LYS CG C 22.383 0.000 . 850 87 87 LYS N N 122.635 0.000 . 851 88 88 GLY H H 8.308 0.000 . 852 88 88 GLY HA2 H 3.721 0.000 . 853 88 88 GLY HA3 H 3.836 0.000 . 854 88 88 GLY CA C 42.782 0.000 . 855 88 88 GLY N N 112.045 0.000 . 856 89 89 SER H H 7.786 0.000 . 857 89 89 SER HA H 4.114 0.000 . 858 89 89 SER HB2 H 3.693 0.000 . 859 89 89 SER HB3 H 3.693 0.000 . 860 89 89 SER CA C 57.151 0.000 . 861 89 89 SER CB C 62.160 0.000 . 862 89 89 SER N N 122.523 0.000 . stop_ save_