data_25565 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the BCOR PUFD ; _BMRB_accession_number 25565 _BMRB_flat_file_name bmr25565.str _Entry_type original _Submission_date 2015-04-06 _Accession_date 2015-04-06 _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 Wong Sarah J. . 2 Gearhart Micah D. . 3 Ha Daniel J. . 4 Corcoran Connie M. . 5 Diaz Victoria . . 6 Taylor Alexander B. . 7 Schirf Virgil . . 8 Ilangovan Udayar . . 9 Hinck Andrew P. . 10 Demeler Borries . . 11 Hart P J. . 12 Bardwell Vivian J. . 13 Kim Chongwoo A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 558 "13C chemical shifts" 446 "15N chemical shifts" 102 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-04-04 original BMRB . stop_ _Original_release_date 2016-04-04 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis for the hierarchical assembly of the core of PRC1.1 ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wong Sarah J. . 2 Gearhart Micah D. . 3 Ha Daniel J. . 4 Corcoran Connie M. . 5 Diaz Victoria . . 6 Taylor Alexander B. . 7 Schirf Virgil . . 8 Ilangovan Udayar . . 9 Hinck Andrew P. . 10 Demeler Borries . . 11 Hart John P. . 12 Bardwell Vivian J. . 13 Kim Chongwoo A. . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'BCOR PUFD' _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 BCOR_PUFD _Molecular_mass 13112.839 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 115 _Mol_residue_sequence ; SDVFEFEFSETPLLPSYNIQ VSVAQGPRNWLLLSDVLKKL KMSSRIFRSNFPNVEIVTIA EAEFYRQVSASLLFSSSKDL EAFNPESKELLDLVEFTNEI QTLLGSSVEWLHPSD ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ASP 3 VAL 4 PHE 5 GLU 6 PHE 7 GLU 8 PHE 9 SER 10 GLU 11 THR 12 PRO 13 LEU 14 LEU 15 PRO 16 SER 17 TYR 18 ASN 19 ILE 20 GLN 21 VAL 22 SER 23 VAL 24 ALA 25 GLN 26 GLY 27 PRO 28 ARG 29 ASN 30 TRP 31 LEU 32 LEU 33 LEU 34 SER 35 ASP 36 VAL 37 LEU 38 LYS 39 LYS 40 LEU 41 LYS 42 MET 43 SER 44 SER 45 ARG 46 ILE 47 PHE 48 ARG 49 SER 50 ASN 51 PHE 52 PRO 53 ASN 54 VAL 55 GLU 56 ILE 57 VAL 58 THR 59 ILE 60 ALA 61 GLU 62 ALA 63 GLU 64 PHE 65 TYR 66 ARG 67 GLN 68 VAL 69 SER 70 ALA 71 SER 72 LEU 73 LEU 74 PHE 75 SER 76 SER 77 SER 78 LYS 79 ASP 80 LEU 81 GLU 82 ALA 83 PHE 84 ASN 85 PRO 86 GLU 87 SER 88 LYS 89 GLU 90 LEU 91 LEU 92 ASP 93 LEU 94 VAL 95 GLU 96 PHE 97 THR 98 ASN 99 GLU 100 ILE 101 GLN 102 THR 103 LEU 104 LEU 105 GLY 106 SER 107 SER 108 VAL 109 GLU 110 TRP 111 LEU 112 HIS 113 PRO 114 SER 115 ASP 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 _Details $entity 'recombinant technology' . Escherichia coli . 'pET-30a, pET-3c, pCDF-Duet-1' 'Plasmids were all modified' 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 3 mM '[U-13C; U-15N]' TRIS 10 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' TCEP 1 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'chemical shift calculation' 'data analysis' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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' 30 . mM pH 8 . pH pressure 1 . atm temperature 300 . 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 H 1 'methyl protons' ppm 0.0 na indirect . . . 1.0 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 '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _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 4 1 SER HA H 4.395 . . 2 4 1 SER HB2 H 3.810 . . 3 4 1 SER HB3 H 3.810 . . 4 4 1 SER C C 174.123 . . 5 4 1 SER CA C 58.527 . . 6 4 1 SER CB C 64.004 . . 7 5 2 ASP H H 8.375 . . 8 5 2 ASP HA H 4.505 . . 9 5 2 ASP HB2 H 2.582 . . 10 5 2 ASP HB3 H 2.582 . . 11 5 2 ASP C C 175.792 . . 12 5 2 ASP CA C 54.577 . . 13 5 2 ASP CB C 41.102 . . 14 5 2 ASP N N 121.971 . . 15 6 3 VAL H H 7.741 . . 16 6 3 VAL HA H 3.986 . . 17 6 3 VAL HB H 1.914 . . 18 6 3 VAL HG1 H 0.734 . . 19 6 3 VAL HG2 H 0.762 . . 20 6 3 VAL C C 175.550 . . 21 6 3 VAL CA C 62.309 . . 22 6 3 VAL CB C 32.800 . . 23 6 3 VAL CG1 C 20.330 . . 24 6 3 VAL CG2 C 21.226 . . 25 6 3 VAL N N 118.333 . . 26 7 4 PHE H H 8.133 . . 27 7 4 PHE HA H 4.550 . . 28 7 4 PHE HB2 H 2.978 . . 29 7 4 PHE HB3 H 2.877 . . 30 7 4 PHE C C 175.330 . . 31 7 4 PHE CA C 57.686 . . 32 7 4 PHE CB C 39.704 . . 33 7 4 PHE N N 123.230 . . 34 8 5 GLU H H 8.106 . . 35 8 5 GLU HA H 4.135 . . 36 8 5 GLU HB2 H 1.750 . . 37 8 5 GLU HB3 H 1.815 . . 38 8 5 GLU HG2 H 2.055 . . 39 8 5 GLU HG3 H 1.978 . . 40 8 5 GLU C C 175.554 . . 41 8 5 GLU CA C 56.521 . . 42 8 5 GLU CB C 30.515 . . 43 8 5 GLU CG C 36.359 . . 44 8 5 GLU N N 122.400 . . 45 9 6 PHE H H 7.944 . . 46 9 6 PHE HA H 4.486 . . 47 9 6 PHE HB2 H 2.981 . . 48 9 6 PHE HB3 H 2.863 . . 49 9 6 PHE C C 175.357 . . 50 9 6 PHE CA C 57.731 . . 51 9 6 PHE CB C 39.806 . . 52 9 6 PHE N N 120.265 . . 53 10 7 GLU H H 8.202 . . 54 10 7 GLU HA H 4.146 . . 55 10 7 GLU HB2 H 1.795 . . 56 10 7 GLU HB3 H 1.795 . . 57 10 7 GLU C C 175.743 . . 58 10 7 GLU CA C 56.631 . . 59 10 7 GLU CB C 30.502 . . 60 10 7 GLU CG C 36.488 . . 61 10 7 GLU N N 122.230 . . 62 11 8 PHE H H 8.115 . . 63 11 8 PHE HA H 4.581 . . 64 11 8 PHE HB2 H 3.085 . . 65 11 8 PHE HB3 H 2.953 . . 66 11 8 PHE C C 175.595 . . 67 11 8 PHE CA C 58.031 . . 68 11 8 PHE CB C 39.628 . . 69 11 8 PHE N N 121.046 . . 70 12 9 SER H H 8.077 . . 71 12 9 SER HA H 4.349 . . 72 12 9 SER HB2 H 3.772 . . 73 12 9 SER HB3 H 3.772 . . 74 12 9 SER CA C 58.313 . . 75 12 9 SER CB C 64.191 . . 76 12 9 SER N N 117.340 . . 77 13 10 GLU H H 8.297 . . 78 13 10 GLU HA H 4.260 . . 79 13 10 GLU HB2 H 1.877 . . 80 13 10 GLU HB3 H 2.009 . . 81 13 10 GLU HG2 H 2.073 . . 82 13 10 GLU C C 176.140 . . 83 13 10 GLU CA C 56.589 . . 84 13 10 GLU CB C 30.526 . . 85 13 10 GLU CG C 36.478 . . 86 13 10 GLU N N 122.633 . . 87 14 11 THR H H 8.163 . . 88 14 11 THR HA H 4.501 . . 89 14 11 THR HB H 4.050 . . 90 14 11 THR HG2 H 1.164 . . 91 14 11 THR C C 172.680 . . 92 14 11 THR CA C 59.769 . . 93 14 11 THR CB C 70.027 . . 94 14 11 THR CG2 C 21.431 . . 95 14 11 THR N N 117.548 . . 96 15 12 PRO HA H 4.351 . . 97 15 12 PRO HB2 H 2.143 . . 98 15 12 PRO HB3 H 1.823 . . 99 15 12 PRO HG2 H 1.894 . . 100 15 12 PRO HD2 H 3.721 . . 101 15 12 PRO HD3 H 3.600 . . 102 15 12 PRO C C 176.642 . . 103 15 12 PRO CA C 63.241 . . 104 15 12 PRO CB C 32.168 . . 105 15 12 PRO CG C 27.539 . . 106 15 12 PRO CD C 51.200 . . 107 16 13 LEU H H 8.249 . . 108 16 13 LEU HA H 4.221 . . 109 16 13 LEU HB2 H 1.547 . . 110 16 13 LEU HB3 H 1.408 . . 111 16 13 LEU HD1 H 0.800 . . 112 16 13 LEU HD2 H 0.825 . . 113 16 13 LEU C C 176.754 . . 114 16 13 LEU CA C 55.452 . . 115 16 13 LEU CB C 42.967 . . 116 16 13 LEU CG C 27.182 . . 117 16 13 LEU CD1 C 24.052 . . 118 16 13 LEU CD2 C 25.279 . . 119 16 13 LEU N N 122.173 . . 120 17 14 LEU H H 7.900 . . 121 17 14 LEU HA H 4.561 . . 122 17 14 LEU HB2 H 1.359 . . 123 17 14 LEU HB3 H 1.450 . . 124 17 14 LEU HG H 1.603 . . 125 17 14 LEU HD1 H 0.779 . . 126 17 14 LEU HD2 H 0.844 . . 127 17 14 LEU CA C 52.532 . . 128 17 14 LEU CB C 43.274 . . 129 17 14 LEU CG C 27.544 . . 130 17 14 LEU N N 121.891 . . 131 18 15 PRO HA H 4.186 . . 132 18 15 PRO HB2 H 2.019 . . 133 18 15 PRO HB3 H 1.566 . . 134 18 15 PRO HD2 H 3.544 . . 135 18 15 PRO HD3 H 3.675 . . 136 18 15 PRO C C 173.612 . . 137 18 15 PRO CA C 62.698 . . 138 18 15 PRO CB C 32.011 . . 139 18 15 PRO CG C 27.952 . . 140 18 15 PRO CD C 50.684 . . 141 19 16 SER H H 7.349 . . 142 19 16 SER HA H 4.922 . . 143 19 16 SER HB2 H 3.483 . . 144 19 16 SER HB3 H 3.220 . . 145 19 16 SER C C 173.333 . . 146 19 16 SER CA C 55.864 . . 147 19 16 SER CB C 66.580 . . 148 19 16 SER N N 111.841 . . 149 20 17 TYR H H 9.250 . . 150 20 17 TYR HA H 4.712 . . 151 20 17 TYR HB2 H 2.646 . . 152 20 17 TYR HB3 H 2.525 . . 153 20 17 TYR C C 174.757 . . 154 20 17 TYR CA C 57.448 . . 155 20 17 TYR CB C 42.114 . . 156 20 17 TYR N N 119.886 . . 157 21 18 ASN H H 9.054 . . 158 21 18 ASN HA H 5.716 . . 159 21 18 ASN HB2 H 2.752 . . 160 21 18 ASN HB3 H 2.585 . . 161 21 18 ASN HD21 H 6.543 . . 162 21 18 ASN HD22 H 7.124 . . 163 21 18 ASN C C 174.185 . . 164 21 18 ASN CA C 53.060 . . 165 21 18 ASN CB C 39.572 . . 166 21 18 ASN N N 126.035 . . 167 22 19 ILE H H 8.686 . . 168 22 19 ILE HA H 4.569 . . 169 22 19 ILE HB H 1.756 . . 170 22 19 ILE HG12 H 1.089 . . 171 22 19 ILE HG13 H 0.954 . . 172 22 19 ILE HG2 H 0.416 . . 173 22 19 ILE HD1 H 0.346 . . 174 22 19 ILE C C 175.302 . . 175 22 19 ILE CA C 58.731 . . 176 22 19 ILE CB C 42.138 . . 177 22 19 ILE CG1 C 26.788 . . 178 22 19 ILE CG2 C 18.417 . . 179 22 19 ILE CD1 C 13.701 . . 180 22 19 ILE N N 120.746 . . 181 23 20 GLN H H 9.694 . . 182 23 20 GLN HA H 4.719 . . 183 23 20 GLN HB2 H 1.952 . . 184 23 20 GLN HB3 H 1.636 . . 185 23 20 GLN HG2 H 1.795 . . 186 23 20 GLN HG3 H 1.843 . . 187 23 20 GLN HE21 H 8.333 . . 188 23 20 GLN HE22 H 7.284 . . 189 23 20 GLN C C 174.729 . . 190 23 20 GLN CA C 54.916 . . 191 23 20 GLN CB C 31.214 . . 192 23 20 GLN CG C 35.417 . . 193 23 20 GLN N N 127.442 . . 194 23 20 GLN NE2 N 113.658 . . 195 24 21 VAL H H 9.503 . . 196 24 21 VAL HA H 3.892 . . 197 24 21 VAL HB H 1.955 . . 198 24 21 VAL HG1 H 0.500 . . 199 24 21 VAL HG2 H 0.383 . . 200 24 21 VAL C C 175.595 . . 201 24 21 VAL CA C 63.633 . . 202 24 21 VAL CB C 32.063 . . 203 24 21 VAL CG1 C 21.255 . . 204 24 21 VAL CG2 C 21.107 . . 205 24 21 VAL N N 126.892 . . 206 25 22 SER H H 7.812 . . 207 25 22 SER HA H 4.780 . . 208 25 22 SER HB2 H 3.992 . . 209 25 22 SER HB3 H 3.684 . . 210 25 22 SER CA C 56.175 . . 211 25 22 SER CB C 65.548 . . 212 25 22 SER N N 113.779 . . 213 26 23 VAL HA H 3.677 . . 214 26 23 VAL HB H 2.017 . . 215 26 23 VAL HG1 H 0.972 . . 216 26 23 VAL HG2 H 0.908 . . 217 26 23 VAL C C 177.103 . . 218 26 23 VAL CA C 65.245 . . 219 26 23 VAL CB C 31.445 . . 220 26 23 VAL CG1 C 21.613 . . 221 26 23 VAL CG2 C 20.845 . . 222 27 24 ALA H H 8.038 . . 223 27 24 ALA HA H 4.115 . . 224 27 24 ALA HB H 1.356 . . 225 27 24 ALA C C 178.544 . . 226 27 24 ALA CA C 54.127 . . 227 27 24 ALA CB C 18.797 . . 228 27 24 ALA N N 120.963 . . 229 28 25 GLN H H 7.351 . . 230 28 25 GLN HA H 4.289 . . 231 28 25 GLN HB2 H 2.280 . . 232 28 25 GLN HB3 H 2.073 . . 233 28 25 GLN HG2 H 2.374 . . 234 28 25 GLN HE21 H 7.451 . . 235 28 25 GLN HE22 H 6.904 . . 236 28 25 GLN C C 177.327 . . 237 28 25 GLN CA C 56.841 . . 238 28 25 GLN CB C 31.383 . . 239 28 25 GLN CG C 34.284 . . 240 28 25 GLN N N 115.836 . . 241 28 25 GLN NE2 N 112.401 . . 242 29 26 GLY H H 7.884 . . 243 29 26 GLY HA2 H 4.273 . . 244 29 26 GLY HA3 H 4.137 . . 245 29 26 GLY C C 182.773 . . 246 29 26 GLY CA C 44.559 . . 247 29 26 GLY N N 106.159 . . 248 30 27 PRO HA H 4.442 . . 249 30 27 PRO HB2 H 2.608 . . 250 30 27 PRO HB3 H 1.898 . . 251 30 27 PRO C C 176.935 . . 252 30 27 PRO CA C 63.657 . . 253 30 27 PRO CB C 31.672 . . 254 30 27 PRO CG C 28.007 . . 255 30 27 PRO CD C 49.570 . . 256 31 28 ARG H H 8.183 . . 257 31 28 ARG HA H 4.459 . . 258 31 28 ARG HB2 H 1.283 . . 259 31 28 ARG HB3 H 1.283 . . 260 31 28 ARG HG2 H 1.379 . . 261 31 28 ARG HG3 H 1.589 . . 262 31 28 ARG HD2 H 3.019 . . 263 31 28 ARG HD3 H 3.158 . . 264 31 28 ARG C C 172.771 . . 265 31 28 ARG CA C 53.490 . . 266 31 28 ARG CB C 33.822 . . 267 31 28 ARG CG C 26.674 . . 268 31 28 ARG CD C 43.281 . . 269 31 28 ARG N N 122.795 . . 270 32 29 ASN H H 8.208 . . 271 32 29 ASN HA H 5.416 . . 272 32 29 ASN HB2 H 2.734 . . 273 32 29 ASN HB3 H 2.450 . . 274 32 29 ASN HD21 H 7.381 . . 275 32 29 ASN HD22 H 6.881 . . 276 32 29 ASN C C 174.336 . . 277 32 29 ASN CA C 52.832 . . 278 32 29 ASN CB C 40.520 . . 279 32 29 ASN N N 117.113 . . 280 32 29 ASN ND2 N 113.429 . . 281 33 30 TRP H H 9.347 . . 282 33 30 TRP HA H 5.142 . . 283 33 30 TRP HB2 H 3.360 . . 284 33 30 TRP HB3 H 2.906 . . 285 33 30 TRP C C 175.351 . . 286 33 30 TRP CA C 56.451 . . 287 33 30 TRP CB C 34.359 . . 288 33 30 TRP N N 122.912 . . 289 34 31 LEU H H 9.547 . . 290 34 31 LEU HA H 4.980 . . 291 34 31 LEU HB2 H 1.434 . . 292 34 31 LEU HB3 H 1.448 . . 293 34 31 LEU HG H 1.316 . . 294 34 31 LEU HD1 H 0.466 . . 295 34 31 LEU HD2 H 0.359 . . 296 34 31 LEU C C 177.526 . . 297 34 31 LEU CA C 52.755 . . 298 34 31 LEU CB C 44.174 . . 299 34 31 LEU CD1 C 27.323 . . 300 34 31 LEU CD2 C 23.010 . . 301 34 31 LEU N N 118.860 . . 302 35 32 LEU H H 9.898 . . 303 35 32 LEU HA H 4.492 . . 304 35 32 LEU HB2 H 1.750 . . 305 35 32 LEU HB3 H 1.637 . . 306 35 32 LEU HD1 H 0.481 . . 307 35 32 LEU HD2 H 0.888 . . 308 35 32 LEU C C 178.809 . . 309 35 32 LEU CA C 55.126 . . 310 35 32 LEU CB C 41.187 . . 311 35 32 LEU CG C 27.694 . . 312 35 32 LEU CD1 C 24.271 . . 313 35 32 LEU CD2 C 26.012 . . 314 35 32 LEU N N 122.217 . . 315 36 33 LEU H H 8.639 . . 316 36 33 LEU HA H 3.729 . . 317 36 33 LEU HB2 H 1.786 . . 318 36 33 LEU HB3 H 0.859 . . 319 36 33 LEU HG H 1.292 . . 320 36 33 LEU HD1 H 0.771 . . 321 36 33 LEU HD2 H 0.109 . . 322 36 33 LEU C C 178.055 . . 323 36 33 LEU CA C 58.109 . . 324 36 33 LEU CB C 41.613 . . 325 36 33 LEU CG C 26.309 . . 326 36 33 LEU CD1 C 26.289 . . 327 36 33 LEU CD2 C 22.009 . . 328 36 33 LEU N N 127.885 . . 329 37 34 SER H H 9.160 . . 330 37 34 SER HA H 3.785 . . 331 37 34 SER HB2 H 3.781 . . 332 37 34 SER HB3 H 3.781 . . 333 37 34 SER C C 177.131 . . 334 37 34 SER CA C 61.931 . . 335 37 34 SER CB C 61.637 . . 336 37 34 SER N N 112.295 . . 337 38 35 ASP H H 6.924 . . 338 38 35 ASP HA H 4.529 . . 339 38 35 ASP HB2 H 3.101 . . 340 38 35 ASP HB3 H 2.644 . . 341 38 35 ASP C C 178.591 . . 342 38 35 ASP CA C 57.771 . . 343 38 35 ASP CB C 40.793 . . 344 38 35 ASP N N 121.314 . . 345 39 36 VAL H H 7.432 . . 346 39 36 VAL HA H 3.284 . . 347 39 36 VAL HB H 2.125 . . 348 39 36 VAL HG1 H 0.797 . . 349 39 36 VAL HG2 H 0.617 . . 350 39 36 VAL C C 177.372 . . 351 39 36 VAL CA C 67.032 . . 352 39 36 VAL CB C 31.697 . . 353 39 36 VAL CG1 C 24.166 . . 354 39 36 VAL CG2 C 21.747 . . 355 39 36 VAL N N 122.556 . . 356 40 37 LEU H H 8.678 . . 357 40 37 LEU HA H 3.748 . . 358 40 37 LEU HB2 H 1.623 . . 359 40 37 LEU HB3 H 1.973 . . 360 40 37 LEU HG H 1.773 . . 361 40 37 LEU HD1 H 0.656 . . 362 40 37 LEU HD2 H 0.346 . . 363 40 37 LEU C C 177.372 . . 364 40 37 LEU CA C 58.284 . . 365 40 37 LEU CB C 39.078 . . 366 40 37 LEU CD1 C 25.630 . . 367 40 37 LEU CD2 C 21.936 . . 368 40 37 LEU N N 117.369 . . 369 41 38 LYS H H 7.465 . . 370 41 38 LYS HA H 4.056 . . 371 41 38 LYS HB2 H 1.923 . . 372 41 38 LYS HB3 H 1.923 . . 373 41 38 LYS C C 179.316 . . 374 41 38 LYS CA C 59.524 . . 375 41 38 LYS CB C 32.619 . . 376 41 38 LYS CG C 25.661 . . 377 41 38 LYS CD C 29.948 . . 378 41 38 LYS CE C 42.390 . . 379 41 38 LYS N N 117.428 . . 380 42 39 LYS H H 7.530 . . 381 42 39 LYS HA H 4.132 . . 382 42 39 LYS HB2 H 1.950 . . 383 42 39 LYS HB3 H 1.950 . . 384 42 39 LYS HE2 H 2.924 . . 385 42 39 LYS C C 178.037 . . 386 42 39 LYS CA C 58.215 . . 387 42 39 LYS CB C 32.116 . . 388 42 39 LYS CG C 25.300 . . 389 42 39 LYS CD C 28.850 . . 390 42 39 LYS CE C 42.630 . . 391 42 39 LYS N N 119.394 . . 392 43 40 LEU H H 8.118 . . 393 43 40 LEU HA H 4.211 . . 394 43 40 LEU HB2 H 1.703 . . 395 43 40 LEU HB3 H 1.703 . . 396 43 40 LEU HG H 1.366 . . 397 43 40 LEU HD1 H 0.883 . . 398 43 40 LEU HD2 H 0.836 . . 399 43 40 LEU C C 175.698 . . 400 43 40 LEU CA C 55.342 . . 401 43 40 LEU CB C 42.696 . . 402 43 40 LEU CD1 C 26.628 . . 403 43 40 LEU CD2 C 22.647 . . 404 43 40 LEU N N 115.467 . . 405 44 41 LYS H H 7.845 . . 406 44 41 LYS HA H 3.789 . . 407 44 41 LYS HB2 H 2.116 . . 408 44 41 LYS HB3 H 1.791 . . 409 44 41 LYS C C 175.182 . . 410 44 41 LYS CA C 56.997 . . 411 44 41 LYS CB C 29.063 . . 412 44 41 LYS CG C 25.100 . . 413 44 41 LYS CE C 42.672 . . 414 44 41 LYS N N 116.448 . . 415 45 42 MET H H 7.676 . . 416 45 42 MET HA H 4.829 . . 417 45 42 MET HB2 H 2.102 . . 418 45 42 MET HB3 H 1.661 . . 419 45 42 MET C C 174.425 . . 420 45 42 MET CA C 54.637 . . 421 45 42 MET CB C 38.197 . . 422 45 42 MET CG C 32.474 . . 423 45 42 MET N N 115.910 . . 424 46 43 SER H H 7.620 . . 425 46 43 SER HA H 4.612 . . 426 46 43 SER HB2 H 4.325 . . 427 46 43 SER HB3 H 3.981 . . 428 46 43 SER C C 178.972 . . 429 46 43 SER CA C 56.580 . . 430 46 43 SER CB C 65.540 . . 431 46 43 SER N N 115.168 . . 432 48 45 ARG HA H 4.010 . . 433 48 45 ARG HB2 H 1.870 . . 434 48 45 ARG HB3 H 1.721 . . 435 48 45 ARG HD2 H 3.144 . . 436 48 45 ARG HD3 H 3.144 . . 437 48 45 ARG C C 178.972 . . 438 48 45 ARG CA C 59.566 . . 439 48 45 ARG CB C 30.248 . . 440 48 45 ARG CG C 26.944 . . 441 48 45 ARG CD C 43.544 . . 442 49 46 ILE H H 7.422 . . 443 49 46 ILE HA H 3.766 . . 444 49 46 ILE HB H 1.946 . . 445 49 46 ILE HG12 H 1.237 . . 446 49 46 ILE HG13 H 1.485 . . 447 49 46 ILE HG2 H 0.935 . . 448 49 46 ILE HD1 H 0.806 . . 449 49 46 ILE C C 178.134 . . 450 49 46 ILE CA C 63.195 . . 451 49 46 ILE CB C 37.064 . . 452 49 46 ILE CG1 C 29.136 . . 453 49 46 ILE CG2 C 17.192 . . 454 49 46 ILE CD1 C 11.239 . . 455 49 46 ILE N N 121.216 . . 456 50 47 PHE H H 8.666 . . 457 50 47 PHE HA H 4.157 . . 458 50 47 PHE HB2 H 3.138 . . 459 50 47 PHE HB3 H 2.873 . . 460 50 47 PHE C C 176.754 . . 461 50 47 PHE CA C 62.970 . . 462 50 47 PHE CB C 40.405 . . 463 50 47 PHE N N 123.372 . . 464 51 48 ARG H H 8.335 . . 465 51 48 ARG HA H 3.861 . . 466 51 48 ARG HB2 H 1.862 . . 467 51 48 ARG HB3 H 1.754 . . 468 51 48 ARG HG2 H 1.526 . . 469 51 48 ARG C C 178.469 . . 470 51 48 ARG CA C 59.235 . . 471 51 48 ARG CB C 30.249 . . 472 51 48 ARG CG C 29.212 . . 473 51 48 ARG CD C 43.973 . . 474 51 48 ARG N N 116.185 . . 475 52 49 SER H H 7.487 . . 476 52 49 SER HA H 4.117 . . 477 52 49 SER HB2 H 3.808 . . 478 52 49 SER HB3 H 3.858 . . 479 52 49 SER C C 177.397 . . 480 52 49 SER CA C 60.692 . . 481 52 49 SER CB C 63.492 . . 482 52 49 SER N N 111.319 . . 483 53 50 ASN H H 7.891 . . 484 53 50 ASN HA H 4.111 . . 485 53 50 ASN HB2 H 2.075 . . 486 53 50 ASN HB3 H 1.370 . . 487 53 50 ASN HD21 H 6.478 . . 488 53 50 ASN HD22 H 7.036 . . 489 53 50 ASN C C 174.836 . . 490 53 50 ASN CA C 55.087 . . 491 53 50 ASN CB C 39.204 . . 492 53 50 ASN N N 119.027 . . 493 53 50 ASN ND2 N 111.787 . . 494 54 51 PHE H H 7.716 . . 495 54 51 PHE HA H 4.929 . . 496 54 51 PHE HB2 H 2.648 . . 497 54 51 PHE HB3 H 2.037 . . 498 54 51 PHE HD1 H 6.563 . . 499 54 51 PHE HD2 H 6.563 . . 500 54 51 PHE HE1 H 7.239 . . 501 54 51 PHE HE2 H 7.239 . . 502 54 51 PHE CA C 54.900 . . 503 54 51 PHE CB C 37.460 . . 504 54 51 PHE N N 117.185 . . 505 55 52 PRO HA H 4.489 . . 506 55 52 PRO HB2 H 2.254 . . 507 55 52 PRO HB3 H 1.928 . . 508 55 52 PRO HG2 H 1.754 . . 509 55 52 PRO HG3 H 1.754 . . 510 55 52 PRO HD2 H 3.681 . . 511 55 52 PRO HD3 H 3.461 . . 512 55 52 PRO C C 177.225 . . 513 55 52 PRO CA C 64.783 . . 514 55 52 PRO CB C 32.068 . . 515 55 52 PRO CG C 27.280 . . 516 55 52 PRO CD C 50.495 . . 517 56 53 ASN H H 8.649 . . 518 56 53 ASN HA H 4.752 . . 519 56 53 ASN HB2 H 2.898 . . 520 56 53 ASN HB3 H 2.775 . . 521 56 53 ASN HD21 H 6.958 . . 522 56 53 ASN HD22 H 7.641 . . 523 56 53 ASN C C 175.190 . . 524 56 53 ASN CA C 53.298 . . 525 56 53 ASN CB C 38.418 . . 526 56 53 ASN N N 114.706 . . 527 56 53 ASN ND2 N 114.083 . . 528 57 54 VAL H H 7.236 . . 529 57 54 VAL HA H 3.985 . . 530 57 54 VAL HB H 2.165 . . 531 57 54 VAL HG1 H 1.093 . . 532 57 54 VAL HG2 H 0.875 . . 533 57 54 VAL C C 175.085 . . 534 57 54 VAL CA C 62.840 . . 535 57 54 VAL CB C 31.992 . . 536 57 54 VAL CG1 C 21.933 . . 537 57 54 VAL CG2 C 22.222 . . 538 57 54 VAL N N 121.975 . . 539 58 55 GLU H H 8.851 . . 540 58 55 GLU HA H 4.259 . . 541 58 55 GLU HB2 H 2.035 . . 542 58 55 GLU HB3 H 2.035 . . 543 58 55 GLU HG2 H 2.190 . . 544 58 55 GLU HG3 H 2.300 . . 545 58 55 GLU C C 175.042 . . 546 58 55 GLU CA C 57.040 . . 547 58 55 GLU CB C 30.436 . . 548 58 55 GLU CG C 36.743 . . 549 58 55 GLU N N 130.503 . . 550 59 56 ILE H H 8.426 . . 551 59 56 ILE HA H 4.921 . . 552 59 56 ILE HB H 1.706 . . 553 59 56 ILE HG12 H 1.018 . . 554 59 56 ILE HG13 H 1.047 . . 555 59 56 ILE HG2 H 0.782 . . 556 59 56 ILE HD1 H 0.911 . . 557 59 56 ILE C C 176.705 . . 558 59 56 ILE CA C 60.349 . . 559 59 56 ILE CB C 39.155 . . 560 59 56 ILE CG1 C 28.339 . . 561 59 56 ILE CG2 C 18.454 . . 562 59 56 ILE CD1 C 13.827 . . 563 59 56 ILE N N 127.188 . . 564 60 57 VAL H H 8.940 . . 565 60 57 VAL HA H 4.454 . . 566 60 57 VAL HB H 1.709 . . 567 60 57 VAL HG1 H 0.681 . . 568 60 57 VAL HG2 H 0.675 . . 569 60 57 VAL C C 174.033 . . 570 60 57 VAL CA C 60.526 . . 571 60 57 VAL CB C 34.476 . . 572 60 57 VAL CG1 C 21.341 . . 573 60 57 VAL CG2 C 21.429 . . 574 60 57 VAL N N 128.437 . . 575 61 58 THR H H 8.048 . . 576 61 58 THR HA H 5.452 . . 577 61 58 THR HB H 3.772 . . 578 61 58 THR HG2 H 1.105 . . 579 61 58 THR C C 173.955 . . 580 61 58 THR CA C 60.243 . . 581 61 58 THR CB C 71.966 . . 582 61 58 THR CG2 C 22.635 . . 583 61 58 THR N N 116.448 . . 584 62 59 ILE H H 8.565 . . 585 62 59 ILE HA H 4.436 . . 586 62 59 ILE HB H 1.416 . . 587 62 59 ILE HG12 H 1.223 . . 588 62 59 ILE HG13 H 1.545 . . 589 62 59 ILE HG2 H 0.595 . . 590 62 59 ILE HD1 H 0.624 . . 591 62 59 ILE C C 172.532 . . 592 62 59 ILE CA C 58.689 . . 593 62 59 ILE CB C 42.534 . . 594 62 59 ILE CG1 C 27.856 . . 595 62 59 ILE CG2 C 16.569 . . 596 62 59 ILE CD1 C 15.055 . . 597 62 59 ILE N N 120.523 . . 598 63 60 ALA H H 8.665 . . 599 63 60 ALA HA H 4.370 . . 600 63 60 ALA HB H 1.439 . . 601 63 60 ALA C C 178.963 . . 602 63 60 ALA CA C 52.948 . . 603 63 60 ALA CB C 18.391 . . 604 63 60 ALA N N 128.353 . . 605 64 61 GLU H H 9.316 . . 606 64 61 GLU HA H 3.717 . . 607 64 61 GLU HB2 H 1.898 . . 608 64 61 GLU HB3 H 1.979 . . 609 64 61 GLU HG2 H 2.261 . . 610 64 61 GLU HG3 H 2.620 . . 611 64 61 GLU C C 177.911 . . 612 64 61 GLU CA C 60.510 . . 613 64 61 GLU CB C 29.142 . . 614 64 61 GLU CG C 36.177 . . 615 64 61 GLU N N 127.925 . . 616 65 62 ALA H H 8.661 . . 617 65 62 ALA HA H 4.011 . . 618 65 62 ALA HB H 1.386 . . 619 65 62 ALA C C 180.170 . . 620 65 62 ALA CA C 55.713 . . 621 65 62 ALA CB C 19.232 . . 622 65 62 ALA N N 117.868 . . 623 66 63 GLU H H 6.908 . . 624 66 63 GLU HA H 4.390 . . 625 66 63 GLU HB2 H 2.144 . . 626 66 63 GLU HB3 H 2.038 . . 627 66 63 GLU HG2 H 2.478 . . 628 66 63 GLU HG3 H 2.478 . . 629 66 63 GLU C C 177.641 . . 630 66 63 GLU CA C 57.965 . . 631 66 63 GLU CB C 29.150 . . 632 66 63 GLU CG C 35.398 . . 633 66 63 GLU N N 118.699 . . 634 67 64 PHE H H 8.268 . . 635 67 64 PHE HA H 3.596 . . 636 67 64 PHE HB2 H 3.129 . . 637 67 64 PHE HB3 H 2.574 . . 638 67 64 PHE C C 175.834 . . 639 67 64 PHE CA C 62.037 . . 640 67 64 PHE CB C 39.475 . . 641 67 64 PHE N N 121.543 . . 642 68 65 TYR H H 8.876 . . 643 68 65 TYR HA H 3.391 . . 644 68 65 TYR HB2 H 3.243 . . 645 68 65 TYR HB3 H 2.780 . . 646 68 65 TYR HD1 H 6.869 . . 647 68 65 TYR HD2 H 6.869 . . 648 68 65 TYR C C 178.149 . . 649 68 65 TYR CA C 62.068 . . 650 68 65 TYR CB C 39.075 . . 651 68 65 TYR N N 117.704 . . 652 69 66 ARG H H 7.915 . . 653 69 66 ARG HA H 3.869 . . 654 69 66 ARG HB2 H 1.999 . . 655 69 66 ARG HB3 H 1.999 . . 656 69 66 ARG HG2 H 1.525 . . 657 69 66 ARG HG3 H 1.788 . . 658 69 66 ARG HD2 H 3.300 . . 659 69 66 ARG HD3 H 3.161 . . 660 69 66 ARG C C 178.878 . . 661 69 66 ARG CA C 60.172 . . 662 69 66 ARG CB C 30.688 . . 663 69 66 ARG CG C 27.756 . . 664 69 66 ARG CD C 43.384 . . 665 69 66 ARG N N 119.604 . . 666 70 67 GLN H H 7.931 . . 667 70 67 GLN HA H 3.974 . . 668 70 67 GLN HB2 H 2.187 . . 669 70 67 GLN HB3 H 1.666 . . 670 70 67 GLN HG2 H 2.576 . . 671 70 67 GLN HG3 H 2.576 . . 672 70 67 GLN HE21 H 7.282 . . 673 70 67 GLN HE22 H 8.332 . . 674 70 67 GLN C C 179.355 . . 675 70 67 GLN CA C 60.117 . . 676 70 67 GLN CB C 29.620 . . 677 70 67 GLN CG C 34.267 . . 678 70 67 GLN N N 116.376 . . 679 70 67 GLN NE2 N 113.726 . . 680 71 68 VAL H H 8.343 . . 681 71 68 VAL HA H 3.636 . . 682 71 68 VAL HB H 1.381 . . 683 71 68 VAL HG1 H 0.528 . . 684 71 68 VAL HG2 H -0.007 . . 685 71 68 VAL C C 178.923 . . 686 71 68 VAL CA C 65.877 . . 687 71 68 VAL CB C 31.354 . . 688 71 68 VAL CG1 C 21.868 . . 689 71 68 VAL CG2 C 22.141 . . 690 71 68 VAL N N 119.611 . . 691 72 69 SER H H 8.183 . . 692 72 69 SER HA H 3.733 . . 693 72 69 SER HB2 H 3.445 . . 694 72 69 SER HB3 H 3.445 . . 695 72 69 SER C C 175.645 . . 696 72 69 SER CA C 61.602 . . 697 72 69 SER CB C 62.909 . . 698 72 69 SER N N 114.966 . . 699 73 70 ALA H H 7.250 . . 700 73 70 ALA HA H 4.175 . . 701 73 70 ALA HB H 1.433 . . 702 73 70 ALA C C 178.517 . . 703 73 70 ALA CA C 53.719 . . 704 73 70 ALA CB C 18.755 . . 705 73 70 ALA N N 121.762 . . 706 74 71 SER H H 7.562 . . 707 74 71 SER HA H 4.410 . . 708 74 71 SER HB2 H 4.042 . . 709 74 71 SER HB3 H 4.042 . . 710 74 71 SER C C 175.130 . . 711 74 71 SER CA C 59.105 . . 712 74 71 SER CB C 64.327 . . 713 74 71 SER N N 112.785 . . 714 75 72 LEU H H 7.905 . . 715 75 72 LEU HA H 4.286 . . 716 75 72 LEU HB2 H 1.703 . . 717 75 72 LEU HB3 H 1.572 . . 718 75 72 LEU HD2 H 0.865 . . 719 75 72 LEU C C 177.464 . . 720 75 72 LEU CA C 55.084 . . 721 75 72 LEU CB C 41.835 . . 722 75 72 LEU CD1 C 23.362 . . 723 75 72 LEU CD2 C 25.581 . . 724 75 72 LEU N N 122.908 . . 725 76 73 LEU H H 7.917 . . 726 76 73 LEU HA H 4.094 . . 727 76 73 LEU HB2 H 1.498 . . 728 76 73 LEU HB3 H 1.312 . . 729 76 73 LEU C C 177.466 . . 730 76 73 LEU CA C 56.274 . . 731 76 73 LEU CB C 41.846 . . 732 76 73 LEU CG C 27.251 . . 733 76 73 LEU CD1 C 23.789 . . 734 76 73 LEU CD2 C 24.975 . . 735 76 73 LEU N N 120.203 . . 736 77 74 PHE H H 7.927 . . 737 77 74 PHE HA H 4.589 . . 738 77 74 PHE C C 175.987 . . 739 77 74 PHE CA C 58.176 . . 740 77 74 PHE CB C 39.264 . . 741 77 74 PHE N N 117.954 . . 742 81 78 LYS HA H 4.248 . . 743 81 78 LYS HB2 H 1.819 . . 744 81 78 LYS HB3 H 1.759 . . 745 81 78 LYS HG2 H 1.411 . . 746 81 78 LYS HG3 H 1.411 . . 747 81 78 LYS HD2 H 1.622 . . 748 81 78 LYS HD3 H 1.622 . . 749 81 78 LYS HE2 H 2.950 . . 750 81 78 LYS HE3 H 2.950 . . 751 81 78 LYS C C 177.648 . . 752 81 78 LYS CA C 57.623 . . 753 81 78 LYS CB C 32.249 . . 754 81 78 LYS CG C 24.805 . . 755 81 78 LYS CD C 29.210 . . 756 81 78 LYS CE C 42.412 . . 757 82 79 ASP H H 8.133 . . 758 82 79 ASP HA H 4.504 . . 759 82 79 ASP HB2 H 2.811 . . 760 82 79 ASP HB3 H 2.625 . . 761 82 79 ASP C C 177.397 . . 762 82 79 ASP CA C 56.453 . . 763 82 79 ASP CB C 41.007 . . 764 82 79 ASP N N 119.206 . . 765 83 80 LEU H H 7.895 . . 766 83 80 LEU HA H 4.600 . . 767 83 80 LEU HB2 H 1.842 . . 768 83 80 LEU HB3 H 1.600 . . 769 83 80 LEU HG H 1.482 . . 770 83 80 LEU HD1 H 0.431 . . 771 83 80 LEU HD2 H 0.502 . . 772 83 80 LEU C C 177.692 . . 773 83 80 LEU CA C 55.264 . . 774 83 80 LEU CB C 42.146 . . 775 83 80 LEU CG C 27.079 . . 776 83 80 LEU CD1 C 24.927 . . 777 83 80 LEU CD2 C 23.289 . . 778 83 80 LEU N N 118.961 . . 779 84 81 GLU H H 7.708 . . 780 84 81 GLU HA H 4.154 . . 781 84 81 GLU HB2 H 2.073 . . 782 84 81 GLU HB3 H 2.073 . . 783 84 81 GLU HG2 H 2.336 . . 784 84 81 GLU HG3 H 2.382 . . 785 84 81 GLU C C 176.761 . . 786 84 81 GLU CA C 58.784 . . 787 84 81 GLU CB C 29.624 . . 788 84 81 GLU CG C 36.811 . . 789 84 81 GLU N N 118.747 . . 790 85 82 ALA H H 7.767 . . 791 85 82 ALA HA H 4.047 . . 792 85 82 ALA HB H 0.863 . . 793 85 82 ALA C C 176.738 . . 794 85 82 ALA CA C 52.758 . . 795 85 82 ALA CB C 18.778 . . 796 85 82 ALA N N 119.231 . . 797 86 83 PHE H H 7.780 . . 798 86 83 PHE HA H 4.842 . . 799 86 83 PHE HB2 H 3.238 . . 800 86 83 PHE HB3 H 3.004 . . 801 86 83 PHE HD1 H 6.851 . . 802 86 83 PHE HD2 H 6.851 . . 803 86 83 PHE HE1 H 7.139 . . 804 86 83 PHE HE2 H 7.139 . . 805 86 83 PHE C C 173.692 . . 806 86 83 PHE CA C 56.948 . . 807 86 83 PHE CB C 41.968 . . 808 86 83 PHE N N 117.171 . . 809 87 84 ASN H H 9.367 . . 810 87 84 ASN HA H 5.067 . . 811 87 84 ASN HB2 H 2.801 . . 812 87 84 ASN HB3 H 2.735 . . 813 87 84 ASN C C 174.604 . . 814 87 84 ASN CA C 49.202 . . 815 87 84 ASN CB C 40.638 . . 816 87 84 ASN N N 120.894 . . 817 88 85 PRO HA H 3.719 . . 818 88 85 PRO HB2 H 1.619 . . 819 88 85 PRO HB3 H 1.191 . . 820 88 85 PRO HG2 H 1.302 . . 821 88 85 PRO HG3 H 1.302 . . 822 88 85 PRO HD2 H 3.177 . . 823 88 85 PRO HD3 H 3.177 . . 824 88 85 PRO C C 176.994 . . 825 88 85 PRO CA C 63.960 . . 826 88 85 PRO CB C 31.967 . . 827 88 85 PRO CG C 26.315 . . 828 88 85 PRO CD C 50.949 . . 829 89 86 GLU H H 7.762 . . 830 89 86 GLU HA H 4.342 . . 831 89 86 GLU HB2 H 1.691 . . 832 89 86 GLU HB3 H 2.178 . . 833 89 86 GLU HG2 H 2.043 . . 834 89 86 GLU HG3 H 2.130 . . 835 89 86 GLU C C 176.499 . . 836 89 86 GLU CA C 55.099 . . 837 89 86 GLU CB C 30.002 . . 838 89 86 GLU CG C 36.665 . . 839 89 86 GLU N N 114.931 . . 840 90 87 SER H H 7.155 . . 841 90 87 SER HA H 4.280 . . 842 90 87 SER CA C 57.683 . . 843 90 87 SER CB C 64.176 . . 844 90 87 SER N N 114.308 . . 845 91 88 LYS HA H 4.495 . . 846 91 88 LYS HB2 H 2.070 . . 847 91 88 LYS HB3 H 1.664 . . 848 91 88 LYS HG2 H 1.403 . . 849 91 88 LYS HG3 H 1.465 . . 850 91 88 LYS HD2 H 1.723 . . 851 91 88 LYS HD3 H 1.723 . . 852 91 88 LYS HE2 H 2.914 . . 853 91 88 LYS HE3 H 2.914 . . 854 91 88 LYS C C 176.657 . . 855 91 88 LYS CA C 55.344 . . 856 91 88 LYS CB C 32.145 . . 857 91 88 LYS CG C 25.134 . . 858 91 88 LYS CD C 29.039 . . 859 91 88 LYS CE C 42.539 . . 860 92 89 GLU H H 8.380 . . 861 92 89 GLU HA H 4.170 . . 862 92 89 GLU HB2 H 2.133 . . 863 92 89 GLU HB3 H 1.832 . . 864 92 89 GLU C C 175.581 . . 865 92 89 GLU CA C 56.260 . . 866 92 89 GLU CB C 30.513 . . 867 92 89 GLU CG C 35.257 . . 868 92 89 GLU N N 120.349 . . 869 93 90 LEU H H 8.588 . . 870 93 90 LEU HA H 4.587 . . 871 93 90 LEU HB2 H 1.675 . . 872 93 90 LEU HB3 H 1.076 . . 873 93 90 LEU HD1 H 0.825 . . 874 93 90 LEU HD2 H 0.650 . . 875 93 90 LEU C C 176.671 . . 876 93 90 LEU CA C 54.448 . . 877 93 90 LEU CB C 42.944 . . 878 93 90 LEU CG C 27.033 . . 879 93 90 LEU CD1 C 25.153 . . 880 93 90 LEU CD2 C 22.282 . . 881 93 90 LEU N N 121.278 . . 882 94 91 LEU H H 9.144 . . 883 94 91 LEU HA H 4.505 . . 884 94 91 LEU HB2 H 1.271 . . 885 94 91 LEU HB3 H 0.957 . . 886 94 91 LEU HG H 1.200 . . 887 94 91 LEU HD1 H 0.063 . . 888 94 91 LEU HD2 H 0.511 . . 889 94 91 LEU C C 175.005 . . 890 94 91 LEU CA C 53.437 . . 891 94 91 LEU CB C 44.348 . . 892 94 91 LEU CG C 26.298 . . 893 94 91 LEU CD1 C 25.882 . . 894 94 91 LEU CD2 C 23.231 . . 895 94 91 LEU N N 122.675 . . 896 95 92 ASP H H 7.404 . . 897 95 92 ASP HA H 5.171 . . 898 95 92 ASP HB2 H 2.444 . . 899 95 92 ASP HB3 H 2.176 . . 900 95 92 ASP C C 175.607 . . 901 95 92 ASP CA C 53.605 . . 902 95 92 ASP CB C 43.454 . . 903 95 92 ASP N N 119.165 . . 904 96 93 LEU H H 9.633 . . 905 96 93 LEU HA H 5.304 . . 906 96 93 LEU HB2 H 1.485 . . 907 96 93 LEU HB3 H 1.340 . . 908 96 93 LEU HG H 1.240 . . 909 96 93 LEU HD1 H -0.092 . . 910 96 93 LEU HD2 H 0.443 . . 911 96 93 LEU C C 175.634 . . 912 96 93 LEU CA C 53.658 . . 913 96 93 LEU CB C 46.173 . . 914 96 93 LEU CG C 26.730 . . 915 96 93 LEU CD1 C 25.157 . . 916 96 93 LEU CD2 C 23.467 . . 917 96 93 LEU N N 125.802 . . 918 97 94 VAL H H 9.154 . . 919 97 94 VAL HA H 5.099 . . 920 97 94 VAL HB H 1.982 . . 921 97 94 VAL HG1 H 0.928 . . 922 97 94 VAL HG2 H 0.861 . . 923 97 94 VAL C C 174.521 . . 924 97 94 VAL CA C 59.628 . . 925 97 94 VAL CB C 35.693 . . 926 97 94 VAL CG1 C 23.031 . . 927 97 94 VAL CG2 C 21.249 . . 928 97 94 VAL N N 114.628 . . 929 98 95 GLU H H 9.551 . . 930 98 95 GLU HA H 3.689 . . 931 98 95 GLU HB2 H 1.684 . . 932 98 95 GLU HB3 H 1.560 . . 933 98 95 GLU C C 176.170 . . 934 98 95 GLU CA C 57.673 . . 935 98 95 GLU CB C 29.043 . . 936 98 95 GLU CG C 36.194 . . 937 98 95 GLU N N 129.978 . . 938 99 96 PHE H H 8.767 . . 939 99 96 PHE HA H 4.668 . . 940 99 96 PHE HB2 H 3.101 . . 941 99 96 PHE HB3 H 2.456 . . 942 99 96 PHE HD1 H 6.959 . . 943 99 96 PHE HD2 H 6.959 . . 944 99 96 PHE C C 174.610 . . 945 99 96 PHE CA C 55.146 . . 946 99 96 PHE CB C 37.036 . . 947 99 96 PHE N N 126.690 . . 948 100 97 THR H H 7.503 . . 949 100 97 THR HA H 4.401 . . 950 100 97 THR HB H 4.598 . . 951 100 97 THR HG2 H 1.070 . . 952 100 97 THR CA C 59.731 . . 953 100 97 THR CB C 72.111 . . 954 100 97 THR CG2 C 21.389 . . 955 100 97 THR N N 116.518 . . 956 102 99 GLU HA H 3.965 . . 957 102 99 GLU HB2 H 1.985 . . 958 102 99 GLU HB3 H 1.855 . . 959 102 99 GLU HG2 H 2.188 . . 960 102 99 GLU HG3 H 2.188 . . 961 102 99 GLU C C 178.876 . . 962 102 99 GLU CA C 60.295 . . 963 102 99 GLU CB C 29.338 . . 964 102 99 GLU CG C 36.710 . . 965 103 100 ILE H H 7.375 . . 966 103 100 ILE HA H 3.848 . . 967 103 100 ILE HB H 2.214 . . 968 103 100 ILE HG12 H 1.714 . . 969 103 100 ILE HG13 H 1.578 . . 970 103 100 ILE HG2 H 0.945 . . 971 103 100 ILE HD1 H 0.706 . . 972 103 100 ILE C C 177.336 . . 973 103 100 ILE CA C 61.863 . . 974 103 100 ILE CB C 36.045 . . 975 103 100 ILE CG1 C 28.172 . . 976 103 100 ILE CG2 C 18.266 . . 977 103 100 ILE CD1 C 9.700 . . 978 103 100 ILE N N 120.433 . . 979 104 101 GLN H H 8.144 . . 980 104 101 GLN HA H 3.872 . . 981 104 101 GLN HB2 H 1.842 . . 982 104 101 GLN HB3 H 2.010 . . 983 104 101 GLN C C 178.954 . . 984 104 101 GLN CA C 60.012 . . 985 104 101 GLN CB C 28.186 . . 986 104 101 GLN CG C 34.085 . . 987 104 101 GLN N N 120.913 . . 988 105 102 THR H H 8.148 . . 989 105 102 THR HA H 3.872 . . 990 105 102 THR HB H 4.156 . . 991 105 102 THR HG2 H 1.180 . . 992 105 102 THR C C 176.655 . . 993 105 102 THR CA C 66.380 . . 994 105 102 THR CB C 68.878 . . 995 105 102 THR CG2 C 21.890 . . 996 105 102 THR N N 115.490 . . 997 106 103 LEU H H 7.638 . . 998 106 103 LEU HA H 4.070 . . 999 106 103 LEU HB2 H 1.666 . . 1000 106 103 LEU HB3 H 1.666 . . 1001 106 103 LEU HG H 1.552 . . 1002 106 103 LEU HD1 H 0.480 . . 1003 106 103 LEU HD2 H 0.533 . . 1004 106 103 LEU C C 178.871 . . 1005 106 103 LEU CA C 58.194 . . 1006 106 103 LEU CB C 42.384 . . 1007 106 103 LEU CG C 26.925 . . 1008 106 103 LEU CD1 C 24.376 . . 1009 106 103 LEU CD2 C 24.168 . . 1010 106 103 LEU N N 123.260 . . 1011 107 104 LEU H H 8.111 . . 1012 107 104 LEU HA H 4.068 . . 1013 107 104 LEU HB2 H 1.423 . . 1014 107 104 LEU HB3 H 1.889 . . 1015 107 104 LEU HD1 H 0.774 . . 1016 107 104 LEU HD2 H 0.842 . . 1017 107 104 LEU C C 178.388 . . 1018 107 104 LEU CA C 56.841 . . 1019 107 104 LEU CB C 42.135 . . 1020 107 104 LEU CD1 C 26.763 . . 1021 107 104 LEU CD2 C 23.168 . . 1022 107 104 LEU N N 116.553 . . 1023 108 105 GLY H H 7.884 . . 1024 108 105 GLY HA2 H 4.019 . . 1025 108 105 GLY HA3 H 4.019 . . 1026 108 105 GLY C C 174.659 . . 1027 108 105 GLY CA C 46.227 . . 1028 108 105 GLY N N 106.349 . . 1029 109 106 SER H H 7.880 . . 1030 109 106 SER HA H 4.511 . . 1031 109 106 SER HB2 H 3.939 . . 1032 109 106 SER HB3 H 3.975 . . 1033 109 106 SER C C 172.817 . . 1034 109 106 SER CA C 59.069 . . 1035 109 106 SER CB C 64.231 . . 1036 109 106 SER N N 115.250 . . 1037 111 108 VAL HA H 4.057 . . 1038 111 108 VAL HB H 1.910 . . 1039 111 108 VAL HG1 H 0.677 . . 1040 111 108 VAL HG2 H 0.775 . . 1041 111 108 VAL C C 175.763 . . 1042 111 108 VAL CA C 62.195 . . 1043 111 108 VAL CB C 32.862 . . 1044 111 108 VAL CG1 C 21.195 . . 1045 111 108 VAL CG2 C 20.669 . . 1046 112 109 GLU H H 8.263 . . 1047 112 109 GLU HA H 4.173 . . 1048 112 109 GLU HB2 H 1.815 . . 1049 112 109 GLU HB3 H 1.945 . . 1050 112 109 GLU HG2 H 2.175 . . 1051 112 109 GLU HG3 H 2.215 . . 1052 112 109 GLU C C 175.945 . . 1053 112 109 GLU CA C 56.801 . . 1054 112 109 GLU CB C 30.201 . . 1055 112 109 GLU CG C 36.560 . . 1056 112 109 GLU N N 123.245 . . 1057 113 110 TRP H H 7.920 . . 1058 113 110 TRP HA H 4.579 . . 1059 113 110 TRP HB2 H 3.164 . . 1060 113 110 TRP HB3 H 3.164 . . 1061 113 110 TRP C C 175.693 . . 1062 113 110 TRP CA C 56.939 . . 1063 113 110 TRP CB C 29.639 . . 1064 113 110 TRP N N 121.639 . . 1065 114 111 LEU H H 7.795 . . 1066 114 111 LEU HA H 4.500 . . 1067 114 111 LEU HB2 H 2.634 . . 1068 114 111 LEU HB3 H 2.597 . . 1069 114 111 LEU HD1 H 0.892 . . 1070 114 111 LEU HD2 H 0.483 . . 1071 114 111 LEU C C 176.191 . . 1072 114 111 LEU CA C 54.917 . . 1073 114 111 LEU CB C 42.733 . . 1074 114 111 LEU CG C 27.024 . . 1075 114 111 LEU CD1 C 25.007 . . 1076 114 111 LEU CD2 C 23.827 . . 1077 114 111 LEU N N 123.185 . . 1078 115 112 HIS H H 8.093 . . 1079 115 112 HIS CA C 54.305 . . 1080 115 112 HIS CB C 30.485 . . 1081 115 112 HIS N N 121.621 . . 1082 116 113 PRO HA H 4.416 . . 1083 116 113 PRO HB2 H 2.243 . . 1084 116 113 PRO HB3 H 1.948 . . 1085 116 113 PRO HD2 H 3.679 . . 1086 116 113 PRO HD3 H 3.458 . . 1087 116 113 PRO C C 176.852 . . 1088 116 113 PRO CA C 63.467 . . 1089 116 113 PRO CB C 32.220 . . 1090 116 113 PRO CG C 27.626 . . 1091 116 113 PRO CD C 50.901 . . 1092 117 114 SER H H 8.453 . . 1093 117 114 SER HA H 4.450 . . 1094 117 114 SER HB2 H 3.835 . . 1095 117 114 SER HB3 H 3.835 . . 1096 117 114 SER C C 173.471 . . 1097 117 114 SER CA C 58.427 . . 1098 117 114 SER CB C 64.408 . . 1099 117 114 SER N N 116.658 . . 1100 118 115 ASP H H 7.977 . . 1101 118 115 ASP HA H 4.350 . . 1102 118 115 ASP HB2 H 2.526 . . 1103 118 115 ASP HB3 H 2.632 . . 1104 118 115 ASP CA C 56.159 . . 1105 118 115 ASP CB C 42.445 . . 1106 118 115 ASP N N 127.751 . . stop_ save_