data_36037 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of a histone binding domain ; _BMRB_accession_number 36037 _BMRB_flat_file_name bmr36037.str _Entry_type original _Submission_date 2016-11-29 _Accession_date 2017-03-07 _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 Mi J. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 527 "13C chemical shifts" 315 "15N chemical shifts" 133 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-05-15 original BMRB . stop_ _Original_release_date 2017-03-07 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure Of A Histone Binding Domain ; _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 Mi J. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _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 'Putative uncharacterized protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 13878.720 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; MSQNRQLLYPREEMVSLVRS LDRPQENGLFSQDVLLQYPE LAESYTKVCPNRCDLATAAD RAAKGAYGYDVQLTTLKEDI RLMVNNCILFNGAEGAYADA ARTFEKFAMGKIDAYISQKV GGLE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 SER 3 3 GLN 4 4 ASN 5 5 ARG 6 6 GLN 7 7 LEU 8 8 LEU 9 9 TYR 10 10 PRO 11 11 ARG 12 12 GLU 13 13 GLU 14 14 MET 15 15 VAL 16 16 SER 17 17 LEU 18 18 VAL 19 19 ARG 20 20 SER 21 21 LEU 22 22 ASP 23 23 ARG 24 24 PRO 25 25 GLN 26 26 GLU 27 27 ASN 28 28 GLY 29 29 LEU 30 30 PHE 31 31 SER 32 32 GLN 33 33 ASP 34 34 VAL 35 35 LEU 36 36 LEU 37 37 GLN 38 38 TYR 39 39 PRO 40 40 GLU 41 41 LEU 42 42 ALA 43 43 GLU 44 44 SER 45 45 TYR 46 46 THR 47 47 LYS 48 48 VAL 49 49 CYS 50 50 PRO 51 51 ASN 52 52 ARG 53 53 CYS 54 54 ASP 55 55 LEU 56 56 ALA 57 57 THR 58 58 ALA 59 59 ALA 60 60 ASP 61 61 ARG 62 62 ALA 63 63 ALA 64 64 LYS 65 65 GLY 66 66 ALA 67 67 TYR 68 68 GLY 69 69 TYR 70 70 ASP 71 71 VAL 72 72 GLN 73 73 LEU 74 74 THR 75 75 THR 76 76 LEU 77 77 LYS 78 78 GLU 79 79 ASP 80 80 ILE 81 81 ARG 82 82 LEU 83 83 MET 84 84 VAL 85 85 ASN 86 86 ASN 87 87 CYS 88 88 ILE 89 89 LEU 90 90 PHE 91 91 ASN 92 92 GLY 93 93 ALA 94 94 GLU 95 95 GLY 96 96 ALA 97 97 TYR 98 98 ALA 99 99 ASP 100 100 ALA 101 101 ALA 102 102 ARG 103 103 THR 104 104 PHE 105 105 GLU 106 106 LYS 107 107 PHE 108 108 ALA 109 109 MET 110 110 GLY 111 111 LYS 112 112 ILE 113 113 ASP 114 114 ALA 115 115 TYR 116 116 ILE 117 117 SER 118 118 GLN 119 119 LYS 120 120 VAL 121 121 GLY 122 122 GLY 123 123 LEU 124 124 GLU 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 _Strain _Gene_mnemonic $entity_1 'Trypanosoma brucei' 185431 Eukaryota . Trypanosoma brucei '927/4 GUTat10.1' Tb11.01.5000 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli . VECTOR PET-22B stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.5 g/L [U-100% 15N] NH4Cl, 2.5 g/L [U-100% 13C] C6H12O6, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 . mM '[U-13C, U-15N]' H2O 90 % 'natural abundance' D2O 10 % [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'GUNTERT, MUMENTHALER AND WUTHRICH' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer BRUKER _Model DMX _Field_strength 600 _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_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_6 _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' 0.8 . mM pH 6.8 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 MET HA H 5.513 . . 2 1 1 MET CA C 45.497 . . 3 1 1 MET H H 8.168 . . 4 2 2 SER HA H 4.281 . . 5 2 2 SER HB2 H 3.691 . . 6 2 2 SER CA C 58.068 . . 7 2 2 SER CB C 63.785 . . 8 3 3 GLN H H 8.238 . . 9 3 3 GLN HA H 4.184 . . 10 3 3 GLN HB2 H 1.869 . . 11 3 3 GLN HB3 H 1.785 . . 12 3 3 GLN HG2 H 2.146 . . 13 3 3 GLN HE21 H 7.354 . . 14 3 3 GLN HE22 H 6.693 . . 15 3 3 GLN CA C 55.827 . . 16 3 3 GLN CB C 29.469 . . 17 3 3 GLN CG C 33.607 . . 18 3 3 GLN N N 121.230 . . 19 3 3 GLN NE2 N 112.112 . . 20 4 4 ASN H H 8.462 . . 21 4 4 ASN HA H 4.478 . . 22 4 4 ASN HB2 H 2.587 . . 23 4 4 ASN CA C 53.203 . . 24 4 4 ASN CB C 38.776 . . 25 4 4 ASN N N 120.468 . . 26 5 5 ARG H H 8.123 . . 27 5 5 ARG HA H 4.218 . . 28 5 5 ARG HB2 H 1.654 . . 29 5 5 ARG HB3 H 1.373 . . 30 5 5 ARG HD2 H 2.759 . . 31 5 5 ARG HD3 H 2.759 . . 32 5 5 ARG HE H 8.908 . . 33 5 5 ARG CA C 55.992 . . 34 5 5 ARG CB C 31.407 . . 35 5 5 ARG CG C 26.721 . . 36 5 5 ARG CD C 43.495 . . 37 5 5 ARG N N 121.751 . . 38 5 5 ARG NE N 111.456 . . 39 6 6 GLN H H 8.374 . . 40 6 6 GLN HA H 4.194 . . 41 6 6 GLN HB2 H 1.804 . . 42 6 6 GLN HG2 H 2.109 . . 43 6 6 GLN HG3 H 2.109 . . 44 6 6 GLN HE21 H 7.225 . . 45 6 6 GLN HE22 H 6.691 . . 46 6 6 GLN CA C 55.289 . . 47 6 6 GLN CB C 29.802 . . 48 6 6 GLN CG C 33.731 . . 49 6 6 GLN N N 122.178 . . 50 6 6 GLN NE2 N 112.611 . . 51 7 7 LEU H H 8.422 . . 52 7 7 LEU HA H 3.348 . . 53 7 7 LEU HB2 H 1.430 . . 54 7 7 LEU HB3 H 1.183 . . 55 7 7 LEU HG H 0.985 . . 56 7 7 LEU HD1 H 0.481 . . 57 7 7 LEU HD1 H 0.492 . . 58 7 7 LEU HD1 H 0.481 . . 59 7 7 LEU HD2 H 0.379 . . 60 7 7 LEU HD2 H 0.332 . . 61 7 7 LEU HD2 H 0.379 . . 62 7 7 LEU CA C 55.778 . . 63 7 7 LEU CB C 41.799 . . 64 7 7 LEU CD1 C 23.822 . . 65 7 7 LEU CD2 C 23.822 . . 66 7 7 LEU N N 126.426 . . 67 8 8 LEU H H 7.843 . . 68 8 8 LEU HA H 3.993 . . 69 8 8 LEU HB2 H 0.868 . . 70 8 8 LEU HB3 H 0.425 . . 71 8 8 LEU CA C 55.597 . . 72 8 8 LEU CB C 41.868 . . 73 8 8 LEU CD1 C 25.438 . . 74 8 8 LEU N N 126.632 . . 75 9 9 TYR H H 7.337 . . 76 9 9 TYR HA H 4.466 . . 77 9 9 TYR HB2 H 1.306 . . 78 9 9 TYR HD1 H 5.193 . . 79 9 9 TYR CA C 52.783 . . 80 9 9 TYR CB C 39.731 . . 81 9 9 TYR N N 118.585 . . 82 10 10 PRO HA H 4.282 . . 83 10 10 PRO HB2 H 2.336 . . 84 10 10 PRO HB3 H 1.856 . . 85 10 10 PRO CA C 62.454 . . 86 10 10 PRO CB C 33.136 . . 87 10 10 PRO CG C 27.891 . . 88 11 11 ARG H H 8.809 . . 89 11 11 ARG HA H 3.811 . . 90 11 11 ARG HB2 H 1.762 . . 91 11 11 ARG HG2 H 1.719 . . 92 11 11 ARG HG3 H 1.520 . . 93 11 11 ARG HD2 H 3.078 . . 94 11 11 ARG HE H 7.441 . . 95 11 11 ARG CA C 59.964 . . 96 11 11 ARG CB C 30.185 . . 97 11 11 ARG CG C 27.239 . . 98 11 11 ARG CD C 43.641 . . 99 11 11 ARG N N 124.055 . . 100 11 11 ARG NE N 113.373 . . 101 12 12 GLU H H 9.421 . . 102 12 12 GLU HA H 3.833 . . 103 12 12 GLU HB2 H 1.896 . . 104 12 12 GLU HG2 H 2.264 . . 105 12 12 GLU CA C 60.341 . . 106 12 12 GLU CB C 28.492 . . 107 12 12 GLU CG C 36.628 . . 108 12 12 GLU N N 116.563 . . 109 13 13 GLU H H 6.799 . . 110 13 13 GLU HA H 4.035 . . 111 13 13 GLU HB2 H 1.998 . . 112 13 13 GLU HG2 H 2.348 . . 113 13 13 GLU CA C 58.469 . . 114 13 13 GLU CB C 28.843 . . 115 13 13 GLU CG C 37.047 . . 116 13 13 GLU N N 116.527 . . 117 14 14 MET H H 7.560 . . 118 14 14 MET HB2 H 2.369 . . 119 14 14 MET CB C 35.818 . . 120 14 14 MET N N 120.041 . . 121 15 15 VAL H H 8.515 . . 122 15 15 VAL HA H 3.175 . . 123 15 15 VAL HB H 1.903 . . 124 15 15 VAL HG1 H 0.951 . . 125 15 15 VAL HG2 H 0.791 . . 126 15 15 VAL CA C 67.553 . . 127 15 15 VAL CB C 31.856 . . 128 15 15 VAL CG1 C 21.507 . . 129 15 15 VAL N N 120.193 . . 130 16 16 SER H H 7.491 . . 131 16 16 SER HA H 3.935 . . 132 16 16 SER HB2 H 3.787 . . 133 16 16 SER CA C 62.223 . . 134 16 16 SER N N 112.962 . . 135 17 17 LEU H H 7.852 . . 136 17 17 LEU HA H 4.567 . . 137 17 17 LEU HB2 H 2.591 . . 138 17 17 LEU HB3 H 2.383 . . 139 17 17 LEU HG H 0.887 . . 140 17 17 LEU HD1 H 0.374 . . 141 17 17 LEU HD2 H 0.085 . . 142 17 17 LEU CA C 53.384 . . 143 17 17 LEU CB C 38.794 . . 144 17 17 LEU CG C 29.921 . . 145 17 17 LEU N N 123.096 . . 146 18 18 VAL H H 7.985 . . 147 18 18 VAL HA H 3.141 . . 148 18 18 VAL HG1 H 0.758 . . 149 18 18 VAL CA C 67.692 . . 150 18 18 VAL CB C 31.584 . . 151 18 18 VAL CG1 C 24.093 . . 152 18 18 VAL N N 121.331 . . 153 19 19 ARG H H 8.510 . . 154 19 19 ARG HA H 3.941 . . 155 19 19 ARG HB2 H 1.746 . . 156 19 19 ARG HG2 H 1.580 . . 157 19 19 ARG HD2 H 3.028 . . 158 19 19 ARG HE H 6.995 . . 159 19 19 ARG CA C 59.559 . . 160 19 19 ARG CB C 29.805 . . 161 19 19 ARG CG C 28.265 . . 162 19 19 ARG CD C 43.400 . . 163 19 19 ARG N N 117.413 . . 164 19 19 ARG NE N 112.243 . . 165 20 20 SER H H 7.739 . . 166 20 20 SER HA H 4.266 . . 167 20 20 SER HB2 H 3.910 . . 168 20 20 SER HG H 5.012 . . 169 20 20 SER CA C 60.410 . . 170 20 20 SER CB C 62.779 . . 171 20 20 SER N N 114.709 . . 172 21 21 LEU H H 7.599 . . 173 21 21 LEU HA H 4.492 . . 174 21 21 LEU HB2 H 2.202 . . 175 21 21 LEU HB3 H 1.625 . . 176 21 21 LEU HD1 H 0.522 . . 177 21 21 LEU HD2 H 0.311 . . 178 21 21 LEU CB C 41.114 . . 179 21 21 LEU CD1 C 26.164 . . 180 21 21 LEU CD2 C 22.772 . . 181 21 21 LEU N N 118.986 . . 182 22 22 ASP H H 7.226 . . 183 22 22 ASP HA H 4.453 . . 184 22 22 ASP HB2 H 2.159 . . 185 22 22 ASP HB3 H 2.121 . . 186 22 22 ASP CA C 53.003 . . 187 22 22 ASP CB C 40.791 . . 188 22 22 ASP N N 118.459 . . 189 23 23 ARG H H 9.011 . . 190 23 23 ARG HA H 4.229 . . 191 23 23 ARG HB2 H 2.923 . . 192 23 23 ARG HE H 7.984 . . 193 23 23 ARG CB C 31.375 . . 194 23 23 ARG N N 123.988 . . 195 23 23 ARG NE N 125.296 . . 196 24 24 PRO HA H 4.163 . . 197 24 24 PRO HB2 H 2.226 . . 198 24 24 PRO HB3 H 1.724 . . 199 24 24 PRO CA C 65.357 . . 200 24 24 PRO CB C 32.142 . . 201 24 24 PRO CD C 50.846 . . 202 25 25 GLN H H 8.384 . . 203 25 25 GLN HA H 3.773 . . 204 25 25 GLN HB2 H 1.563 . . 205 25 25 GLN HG2 H 2.152 . . 206 25 25 GLN HE21 H 7.519 . . 207 25 25 GLN HE22 H 6.559 . . 208 25 25 GLN CA C 59.404 . . 209 25 25 GLN CB C 27.602 . . 210 25 25 GLN CG C 33.904 . . 211 25 25 GLN N N 116.777 . . 212 25 25 GLN NE2 N 111.576 . . 213 26 26 GLU H H 6.816 . . 214 26 26 GLU HA H 4.132 . . 215 26 26 GLU HB2 H 2.176 . . 216 26 26 GLU HB3 H 2.130 . . 217 26 26 GLU CA C 59.405 . . 218 26 26 GLU CB C 31.734 . . 219 26 26 GLU CG C 40.428 . . 220 26 26 GLU N N 114.760 . . 221 27 27 ASN H H 8.393 . . 222 27 27 ASN HA H 4.228 . . 223 27 27 ASN HB2 H 2.896 . . 224 27 27 ASN HB3 H 2.375 . . 225 27 27 ASN HD21 H 7.381 . . 226 27 27 ASN HD22 H 6.600 . . 227 27 27 ASN CA C 54.092 . . 228 27 27 ASN CB C 37.643 . . 229 27 27 ASN N N 118.206 . . 230 27 27 ASN ND2 N 112.196 . . 231 28 28 GLY H H 8.657 . . 232 28 28 GLY HA2 H 4.033 . . 233 28 28 GLY HA3 H 3.860 . . 234 28 28 GLY CA C 45.111 . . 235 28 28 GLY N N 104.951 . . 236 29 29 LEU H H 7.326 . . 237 29 29 LEU HA H 3.662 . . 238 29 29 LEU HB2 H 1.386 . . 239 29 29 LEU HB3 H 1.353 . . 240 29 29 LEU HD1 H 0.519 . . 241 29 29 LEU CA C 58.325 . . 242 29 29 LEU CB C 42.900 . . 243 29 29 LEU CG C 26.143 . . 244 29 29 LEU CD1 C 22.431 . . 245 29 29 LEU N N 121.649 . . 246 30 30 PHE H H 7.756 . . 247 30 30 PHE HA H 4.913 . . 248 30 30 PHE HB2 H 3.416 . . 249 30 30 PHE HD1 H 6.456 . . 250 30 30 PHE HD2 H 6.426 . . 251 30 30 PHE HE1 H 6.877 . . 252 30 30 PHE CA C 56.801 . . 253 30 30 PHE CB C 38.759 . . 254 30 30 PHE N N 112.164 . . 255 31 31 SER H H 7.111 . . 256 31 31 SER HA H 3.829 . . 257 31 31 SER HB2 H 3.441 . . 258 31 31 SER CA C 63.471 . . 259 31 31 SER CB C 63.421 . . 260 31 31 SER N N 114.491 . . 261 32 32 GLN H H 7.335 . . 262 32 32 GLN HA H 4.678 . . 263 32 32 GLN HB2 H 1.979 . . 264 32 32 GLN HB3 H 1.756 . . 265 32 32 GLN HE21 H 7.174 . . 266 32 32 GLN HE22 H 6.531 . . 267 32 32 GLN CA C 53.396 . . 268 32 32 GLN CB C 33.210 . . 269 32 32 GLN N N 113.306 . . 270 32 32 GLN NE2 N 111.030 . . 271 33 33 ASP H H 8.365 . . 272 33 33 ASP HA H 4.073 . . 273 33 33 ASP HB2 H 2.473 . . 274 33 33 ASP HB3 H 2.248 . . 275 33 33 ASP CA C 54.923 . . 276 33 33 ASP CB C 41.955 . . 277 33 33 ASP N N 124.818 . . 278 34 34 VAL H H 8.841 . . 279 34 34 VAL HA H 3.631 . . 280 34 34 VAL HB H 1.217 . . 281 34 34 VAL HG1 H 0.684 . . 282 34 34 VAL HG2 H 0.111 . . 283 34 34 VAL CA C 65.749 . . 284 34 34 VAL CB C 32.562 . . 285 34 34 VAL CG1 C 21.772 . . 286 34 34 VAL N N 130.166 . . 287 35 35 LEU H H 7.713 . . 288 35 35 LEU HA H 3.624 . . 289 35 35 LEU HB3 H 1.125 . . 290 35 35 LEU HD2 H 0.342 . . 291 35 35 LEU CA C 56.032 . . 292 35 35 LEU CB C 39.838 . . 293 35 35 LEU CG C 27.773 . . 294 35 35 LEU N N 115.534 . . 295 36 36 LEU H H 7.174 . . 296 36 36 LEU HA H 3.969 . . 297 36 36 LEU HB2 H 1.537 . . 298 36 36 LEU HB3 H 1.309 . . 299 36 36 LEU HD2 H 0.656 . . 300 36 36 LEU CA C 56.007 . . 301 36 36 LEU CB C 41.633 . . 302 36 36 LEU CD1 C 24.934 . . 303 36 36 LEU CD2 C 22.753 . . 304 36 36 LEU N N 117.659 . . 305 37 37 GLN H H 7.154 . . 306 37 37 GLN HA H 3.496 . . 307 37 37 GLN HB2 H 1.554 . . 308 37 37 GLN HB3 H 1.086 . . 309 37 37 GLN HG2 H 1.723 . . 310 37 37 GLN HG3 H 1.343 . . 311 37 37 GLN HE21 H 6.912 . . 312 37 37 GLN HE22 H 6.453 . . 313 37 37 GLN CA C 57.993 . . 314 37 37 GLN CB C 30.022 . . 315 37 37 GLN CG C 33.572 . . 316 37 37 GLN N N 118.195 . . 317 37 37 GLN NE2 N 109.765 . . 318 38 38 TYR H H 8.022 . . 319 38 38 TYR HA H 4.816 . . 320 38 38 TYR HB2 H 2.985 . . 321 38 38 TYR HB3 H 2.677 . . 322 38 38 TYR HD1 H 6.534 . . 323 38 38 TYR CA C 58.045 . . 324 38 38 TYR CB C 38.293 . . 325 38 38 TYR N N 115.219 . . 326 39 39 PRO HA H 4.213 . . 327 39 39 PRO CA C 65.405 . . 328 39 39 PRO CB C 31.561 . . 329 39 39 PRO CG C 27.730 . . 330 39 39 PRO CD C 49.553 . . 331 40 40 GLU H H 9.814 . . 332 40 40 GLU HA H 4.164 . . 333 40 40 GLU HB2 H 1.925 . . 334 40 40 GLU HG2 H 2.274 . . 335 40 40 GLU HG3 H 2.024 . . 336 40 40 GLU CA C 58.212 . . 337 40 40 GLU CB C 27.981 . . 338 40 40 GLU CG C 35.905 . . 339 40 40 GLU N N 118.113 . . 340 41 41 LEU H H 8.012 . . 341 41 41 LEU HA H 4.385 . . 342 41 41 LEU HB2 H 1.676 . . 343 41 41 LEU HB3 H 1.498 . . 344 41 41 LEU HD1 H 0.744 . . 345 41 41 LEU HD2 H 0.574 . . 346 41 41 LEU CA C 54.617 . . 347 41 41 LEU CB C 41.953 . . 348 41 41 LEU CD1 C 24.882 . . 349 41 41 LEU CD2 C 22.845 . . 350 41 41 LEU N N 120.478 . . 351 42 42 ALA H H 7.286 . . 352 42 42 ALA HA H 3.699 . . 353 42 42 ALA HB H 1.379 . . 354 42 42 ALA CA C 56.987 . . 355 42 42 ALA CB C 19.024 . . 356 42 42 ALA N N 120.333 . . 357 43 43 GLU H H 8.608 . . 358 43 43 GLU HA H 3.863 . . 359 43 43 GLU HB2 H 1.906 . . 360 43 43 GLU HG3 H 2.029 . . 361 43 43 GLU CA C 59.844 . . 362 43 43 GLU CB C 29.459 . . 363 43 43 GLU CG C 36.166 . . 364 43 43 GLU N N 117.510 . . 365 44 44 SER H H 8.067 . . 366 44 44 SER HA H 4.145 . . 367 44 44 SER HB2 H 3.909 . . 368 44 44 SER HG H 5.512 . . 369 44 44 SER CA C 60.953 . . 370 44 44 SER CB C 56.770 . . 371 44 44 SER N N 113.790 . . 372 45 45 TYR H H 9.002 . . 373 45 45 TYR HA H 3.677 . . 374 45 45 TYR HB2 H 2.358 . . 375 45 45 TYR HB3 H 1.958 . . 376 45 45 TYR HD1 H 7.038 . . 377 45 45 TYR HE1 H 6.055 . . 378 45 45 TYR CA C 62.193 . . 379 45 45 TYR CB C 40.149 . . 380 45 45 TYR N N 123.490 . . 381 46 46 THR H H 7.804 . . 382 46 46 THR HA H 4.098 . . 383 46 46 THR HB H 3.670 . . 384 46 46 THR HG2 H 1.201 . . 385 46 46 THR CA C 64.884 . . 386 46 46 THR CB C 69.286 . . 387 46 46 THR CG2 C 22.037 . . 388 46 46 THR N N 109.806 . . 389 47 47 LYS H H 6.853 . . 390 47 47 LYS HA H 3.868 . . 391 47 47 LYS HB2 H 1.767 . . 392 47 47 LYS HG2 H 1.264 . . 393 47 47 LYS HD2 H 1.503 . . 394 47 47 LYS HE2 H 2.816 . . 395 47 47 LYS CA C 58.868 . . 396 47 47 LYS CB C 32.856 . . 397 47 47 LYS CG C 25.086 . . 398 47 47 LYS CD C 29.137 . . 399 47 47 LYS CE C 42.587 . . 400 47 47 LYS N N 118.228 . . 401 48 48 VAL H H 6.783 . . 402 48 48 VAL HA H 3.877 . . 403 48 48 VAL HB H 1.945 . . 404 48 48 VAL HG1 H 0.992 . . 405 48 48 VAL CA C 63.535 . . 406 48 48 VAL CB C 33.300 . . 407 48 48 VAL CG1 C 22.139 . . 408 48 48 VAL N N 114.725 . . 409 49 49 CYS H H 8.069 . . 410 49 49 CYS HA H 4.496 . . 411 49 49 CYS CA C 55.151 . . 412 49 49 CYS CB C 29.032 . . 413 49 49 CYS N N 117.149 . . 414 50 50 PRO HA H 4.197 . . 415 50 50 PRO HB2 H 2.176 . . 416 50 50 PRO HB3 H 1.755 . . 417 50 50 PRO CA C 64.249 . . 418 50 50 PRO CB C 32.281 . . 419 50 50 PRO CG C 27.165 . . 420 50 50 PRO CD C 50.172 . . 421 51 51 ASN H H 7.552 . . 422 51 51 ASN HA H 4.863 . . 423 51 51 ASN HB2 H 2.496 . . 424 51 51 ASN HD21 H 7.612 . . 425 51 51 ASN HD22 H 6.849 . . 426 51 51 ASN CA C 51.562 . . 427 51 51 ASN CB C 40.531 . . 428 51 51 ASN N N 115.324 . . 429 51 51 ASN ND2 N 114.272 . . 430 52 52 ARG H H 8.737 . . 431 52 52 ARG HA H 4.201 . . 432 52 52 ARG HB2 H 1.726 . . 433 52 52 ARG CA C 55.287 . . 434 52 52 ARG CB C 32.754 . . 435 52 52 ARG CG C 25.951 . . 436 52 52 ARG CD C 42.973 . . 437 52 52 ARG N N 119.626 . . 438 53 53 CYS H H 7.523 . . 439 53 53 CYS HA H 4.146 . . 440 53 53 CYS HB2 H 2.968 . . 441 53 53 CYS CA C 60.788 . . 442 53 53 CYS CB C 28.409 . . 443 53 53 CYS N N 116.817 . . 444 54 54 ASP H H 7.941 . . 445 54 54 ASP HA H 4.945 . . 446 54 54 ASP HB2 H 2.454 . . 447 54 54 ASP HB3 H 2.082 . . 448 54 54 ASP CA C 54.043 . . 449 54 54 ASP CB C 43.298 . . 450 54 54 ASP N N 119.436 . . 451 55 55 LEU H H 9.462 . . 452 55 55 LEU HA H 3.897 . . 453 55 55 LEU HB2 H 1.762 . . 454 55 55 LEU HB3 H 1.343 . . 455 55 55 LEU HD1 H 0.749 . . 456 55 55 LEU CA C 58.756 . . 457 55 55 LEU CB C 41.850 . . 458 55 55 LEU CD1 C 25.520 . . 459 55 55 LEU CD2 C 22.909 . . 460 55 55 LEU N N 119.442 . . 461 56 56 ALA H H 8.379 . . 462 56 56 ALA HA H 4.159 . . 463 56 56 ALA HB H 1.474 . . 464 56 56 ALA CA C 55.693 . . 465 56 56 ALA CB C 17.559 . . 466 56 56 ALA N N 128.287 . . 467 57 57 THR H H 8.912 . . 468 57 57 THR HB H 3.786 . . 469 57 57 THR HG1 H 4.439 . . 470 57 57 THR HG2 H 1.047 . . 471 57 57 THR CA C 66.464 . . 472 57 57 THR CB C 67.108 . . 473 57 57 THR CG2 C 22.007 . . 474 57 57 THR N N 122.317 . . 475 58 58 ALA H H 8.623 . . 476 58 58 ALA HA H 4.237 . . 477 58 58 ALA HB H 1.369 . . 478 58 58 ALA CA C 54.942 . . 479 58 58 ALA CB C 17.872 . . 480 58 58 ALA N N 123.044 . . 481 59 59 ALA H H 8.156 . . 482 59 59 ALA HA H 3.815 . . 483 59 59 ALA HB H 1.409 . . 484 59 59 ALA CA C 55.592 . . 485 59 59 ALA CB C 17.433 . . 486 59 59 ALA N N 122.771 . . 487 60 60 ASP H H 7.662 . . 488 60 60 ASP HA H 4.266 . . 489 60 60 ASP CA C 57.562 . . 490 60 60 ASP CB C 41.620 . . 491 60 60 ASP N N 121.697 . . 492 61 61 ARG H H 8.330 . . 493 61 61 ARG HA H 3.549 . . 494 61 61 ARG HB2 H 1.769 . . 495 61 61 ARG HD2 H 2.738 . . 496 61 61 ARG HE H 7.842 . . 497 61 61 ARG CA C 60.081 . . 498 61 61 ARG CB C 28.388 . . 499 61 61 ARG CD C 43.629 . . 500 61 61 ARG N N 119.760 . . 501 61 61 ARG NE N 118.194 . . 502 62 62 ALA H H 8.692 . . 503 62 62 ALA HA H 3.786 . . 504 62 62 ALA HB H 1.515 . . 505 62 62 ALA CA C 54.259 . . 506 62 62 ALA CB C 17.406 . . 507 62 62 ALA N N 121.549 . . 508 63 63 ALA H H 7.678 . . 509 63 63 ALA HA H 3.686 . . 510 63 63 ALA HB H 1.446 . . 511 63 63 ALA CA C 54.573 . . 512 63 63 ALA CB C 18.141 . . 513 63 63 ALA N N 121.591 . . 514 64 64 LYS H H 7.459 . . 515 64 64 LYS HA H 4.087 . . 516 64 64 LYS HB2 H 1.885 . . 517 64 64 LYS HB3 H 1.651 . . 518 64 64 LYS HG2 H 1.396 . . 519 64 64 LYS HE2 H 2.751 . . 520 64 64 LYS CA C 56.298 . . 521 64 64 LYS CB C 32.802 . . 522 64 64 LYS CG C 25.721 . . 523 64 64 LYS CD C 29.026 . . 524 64 64 LYS N N 116.681 . . 525 65 65 GLY H H 7.598 . . 526 65 65 GLY HA2 H 4.124 . . 527 65 65 GLY HA3 H 3.656 . . 528 65 65 GLY CA C 46.068 . . 529 65 65 GLY N N 106.913 . . 530 66 66 ALA H H 7.605 . . 531 66 66 ALA HA H 3.827 . . 532 66 66 ALA HB H 0.515 . . 533 66 66 ALA CA C 54.380 . . 534 66 66 ALA CB C 19.604 . . 535 66 66 ALA N N 118.883 . . 536 67 67 TYR H H 7.827 . . 537 67 67 TYR HE1 H 6.503 . . 538 67 67 TYR N N 112.348 . . 539 68 68 GLY HA2 H 4.180 . . 540 68 68 GLY HA3 H 3.960 . . 541 68 68 GLY CA C 47.016 . . 542 69 69 TYR H H 8.210 . . 543 69 69 TYR HA H 4.454 . . 544 69 69 TYR HB2 H 3.009 . . 545 69 69 TYR HB3 H 2.778 . . 546 69 69 TYR HD1 H 6.765 . . 547 69 69 TYR HE1 H 6.578 . . 548 69 69 TYR CA C 58.487 . . 549 69 69 TYR CB C 38.483 . . 550 69 69 TYR N N 116.195 . . 551 70 70 ASP H H 6.977 . . 552 70 70 ASP HA H 4.928 . . 553 70 70 ASP HB2 H 2.960 . . 554 70 70 ASP HB3 H 2.745 . . 555 70 70 ASP CA C 52.181 . . 556 70 70 ASP CB C 43.389 . . 557 70 70 ASP N N 117.697 . . 558 71 71 VAL H H 8.895 . . 559 71 71 VAL HA H 3.659 . . 560 71 71 VAL HB H 1.897 . . 561 71 71 VAL HG1 H 0.863 . . 562 71 71 VAL CA C 65.868 . . 563 71 71 VAL CB C 31.711 . . 564 71 71 VAL CG1 C 21.072 . . 565 71 71 VAL CG2 C 21.072 . . 566 71 71 VAL N N 126.967 . . 567 72 72 GLN H H 8.157 . . 568 72 72 GLN HA H 4.366 . . 569 72 72 GLN HB2 H 2.248 . . 570 72 72 GLN HE21 H 6.752 . . 571 72 72 GLN CA C 55.046 . . 572 72 72 GLN CB C 28.160 . . 573 72 72 GLN CG C 33.672 . . 574 72 72 GLN N N 115.007 . . 575 73 73 LEU H H 7.999 . . 576 73 73 LEU HA H 4.505 . . 577 73 73 LEU HB2 H 1.656 . . 578 73 73 LEU HB3 H 1.367 . . 579 73 73 LEU HD1 H 0.930 . . 580 73 73 LEU HD2 H 0.420 . . 581 73 73 LEU CA C 55.610 . . 582 73 73 LEU CB C 38.296 . . 583 73 73 LEU CG C 26.325 . . 584 73 73 LEU N N 113.988 . . 585 74 74 THR H H 7.185 . . 586 74 74 THR HA H 3.825 . . 587 74 74 THR HB H 3.430 . . 588 74 74 THR CA C 66.633 . . 589 74 74 THR CB C 69.221 . . 590 74 74 THR CG2 C 28.213 . . 591 74 74 THR N N 109.685 . . 592 75 75 THR H H 7.991 . . 593 75 75 THR HA H 4.465 . . 594 75 75 THR HG1 H 5.070 . . 595 75 75 THR CB C 68.027 . . 596 75 75 THR CG2 C 21.747 . . 597 75 75 THR N N 117.280 . . 598 76 76 LEU H H 7.303 . . 599 76 76 LEU HA H 3.401 . . 600 76 76 LEU HD1 H 0.232 . . 601 76 76 LEU HD2 H 0.062 . . 602 76 76 LEU CA C 58.188 . . 603 76 76 LEU CB C 39.587 . . 604 76 76 LEU N N 117.096 . . 605 77 77 LYS H H 8.338 . . 606 77 77 LYS HA H 3.326 . . 607 77 77 LYS HB2 H 1.785 . . 608 77 77 LYS HB3 H 1.452 . . 609 77 77 LYS HZ H 6.713 . . 610 77 77 LYS CA C 55.886 . . 611 77 77 LYS CB C 32.818 . . 612 77 77 LYS CD C 27.978 . . 613 77 77 LYS N N 116.981 . . 614 78 78 GLU H H 8.205 . . 615 78 78 GLU HA H 3.825 . . 616 78 78 GLU HB2 H 2.124 . . 617 78 78 GLU HB3 H 1.924 . . 618 78 78 GLU HG2 H 2.229 . . 619 78 78 GLU CA C 58.976 . . 620 78 78 GLU CB C 29.139 . . 621 78 78 GLU CG C 36.582 . . 622 78 78 GLU N N 117.970 . . 623 79 79 ASP H H 7.580 . . 624 79 79 ASP HA H 4.456 . . 625 79 79 ASP HB2 H 2.717 . . 626 79 79 ASP HB3 H 2.543 . . 627 79 79 ASP CA C 57.967 . . 628 79 79 ASP CB C 39.905 . . 629 79 79 ASP N N 123.897 . . 630 80 80 ILE H H 7.881 . . 631 80 80 ILE HA H 3.633 . . 632 80 80 ILE HD1 H 0.469 . . 633 80 80 ILE CA C 62.215 . . 634 80 80 ILE CB C 34.913 . . 635 80 80 ILE CG1 C 26.611 . . 636 80 80 ILE CG2 C 26.854 . . 637 80 80 ILE CD1 C 15.126 . . 638 80 80 ILE N N 120.150 . . 639 81 81 ARG H H 8.486 . . 640 81 81 ARG HA H 3.583 . . 641 81 81 ARG HB2 H 1.691 . . 642 81 81 ARG HB3 H 1.607 . . 643 81 81 ARG HG2 H 1.428 . . 644 81 81 ARG HE H 7.346 . . 645 81 81 ARG CA C 60.279 . . 646 81 81 ARG CB C 29.259 . . 647 81 81 ARG N N 118.685 . . 648 81 81 ARG NE N 113.780 . . 649 82 82 LEU H H 7.942 . . 650 82 82 LEU HA H 4.015 . . 651 82 82 LEU HB2 H 1.886 . . 652 82 82 LEU HB3 H 1.535 . . 653 82 82 LEU HD1 H 0.803 . . 654 82 82 LEU HD2 H 0.581 . . 655 82 82 LEU CA C 58.195 . . 656 82 82 LEU CB C 42.106 . . 657 82 82 LEU CD2 C 23.164 . . 658 82 82 LEU N N 120.165 . . 659 83 83 MET H H 7.550 . . 660 83 83 MET HA H 3.998 . . 661 83 83 MET HB2 H 2.296 . . 662 83 83 MET HB3 H 1.817 . . 663 83 83 MET HG2 H 2.959 . . 664 83 83 MET CA C 59.819 . . 665 83 83 MET CB C 32.691 . . 666 83 83 MET CG C 31.361 . . 667 83 83 MET N N 115.726 . . 668 84 84 VAL H H 7.805 . . 669 84 84 VAL HA H 3.519 . . 670 84 84 VAL HB H 2.032 . . 671 84 84 VAL HG1 H 0.844 . . 672 84 84 VAL CA C 67.298 . . 673 84 84 VAL CB C 32.757 . . 674 84 84 VAL CG1 C 22.563 . . 675 84 84 VAL CG2 C 20.446 . . 676 84 84 VAL N N 122.626 . . 677 85 85 ASN H H 9.133 . . 678 85 85 ASN HA H 4.303 . . 679 85 85 ASN HB2 H 2.642 . . 680 85 85 ASN HB3 H 2.762 . . 681 85 85 ASN HD21 H 7.683 . . 682 85 85 ASN HD22 H 6.778 . . 683 85 85 ASN CA C 56.137 . . 684 85 85 ASN CB C 37.820 . . 685 85 85 ASN N N 119.066 . . 686 85 85 ASN ND2 N 112.584 . . 687 86 86 ASN H H 8.740 . . 688 86 86 ASN HA H 4.336 . . 689 86 86 ASN HB2 H 3.352 . . 690 86 86 ASN HB3 H 2.872 . . 691 86 86 ASN CB C 37.677 . . 692 86 86 ASN N N 119.291 . . 693 87 87 CYS H H 7.225 . . 694 87 87 CYS HA H 4.261 . . 695 87 87 CYS HB2 H 3.323 . . 696 87 87 CYS CA C 62.530 . . 697 87 87 CYS CB C 26.630 . . 698 87 87 CYS N N 119.023 . . 699 88 88 ILE H H 7.860 . . 700 88 88 ILE HA H 3.401 . . 701 88 88 ILE HD1 H 0.762 . . 702 88 88 ILE CA C 65.132 . . 703 88 88 ILE CB C 38.569 . . 704 88 88 ILE N N 120.628 . . 705 89 89 LEU H H 8.518 . . 706 89 89 LEU HA H 3.949 . . 707 89 89 LEU HB2 H 1.601 . . 708 89 89 LEU HB3 H 1.409 . . 709 89 89 LEU HD1 H 0.803 . . 710 89 89 LEU CA C 57.607 . . 711 89 89 LEU CB C 42.624 . . 712 89 89 LEU CG C 27.002 . . 713 89 89 LEU CD1 C 24.314 . . 714 89 89 LEU CD2 C 18.958 . . 715 89 89 LEU N N 121.133 . . 716 90 90 PHE H H 8.606 . . 717 90 90 PHE HA H 3.995 . . 718 90 90 PHE HB2 H 2.923 . . 719 90 90 PHE HB3 H 2.730 . . 720 90 90 PHE HD1 H 6.846 . . 721 90 90 PHE CA C 61.739 . . 722 90 90 PHE CB C 40.630 . . 723 90 90 PHE N N 116.265 . . 724 91 91 ASN H H 7.859 . . 725 91 91 ASN HA H 4.348 . . 726 91 91 ASN HB2 H 2.700 . . 727 91 91 ASN HB3 H 2.591 . . 728 91 91 ASN HD21 H 7.493 . . 729 91 91 ASN HD22 H 6.826 . . 730 91 91 ASN CA C 54.972 . . 731 91 91 ASN CB C 41.250 . . 732 91 91 ASN N N 111.543 . . 733 91 91 ASN ND2 N 113.204 . . 734 92 92 GLY H H 7.515 . . 735 92 92 GLY HA2 H 3.603 . . 736 92 92 GLY CA C 45.238 . . 737 92 92 GLY N N 110.177 . . 738 93 93 ALA H H 8.182 . . 739 93 93 ALA HA H 3.938 . . 740 93 93 ALA HB H 1.235 . . 741 93 93 ALA HB H 1.248 . . 742 93 93 ALA CA C 53.992 . . 743 93 93 ALA CB C 19.223 . . 744 93 93 ALA N N 121.442 . . 745 94 94 GLU H H 7.995 . . 746 94 94 GLU HA H 4.534 . . 747 94 94 GLU HB2 H 1.989 . . 748 94 94 GLU HB3 H 1.989 . . 749 94 94 GLU CA C 55.099 . . 750 94 94 GLU CB C 31.265 . . 751 94 94 GLU CG C 36.047 . . 752 94 94 GLU N N 116.083 . . 753 95 95 GLY H H 8.241 . . 754 95 95 GLY HA2 H 3.908 . . 755 95 95 GLY CA C 44.642 . . 756 95 95 GLY N N 111.036 . . 757 96 96 ALA H H 8.248 . . 758 96 96 ALA HA H 3.969 . . 759 96 96 ALA HB H 1.142 . . 760 96 96 ALA HB H 1.157 . . 761 96 96 ALA HB H 1.142 . . 762 96 96 ALA CA C 55.262 . . 763 96 96 ALA CB C 18.735 . . 764 96 96 ALA N N 120.307 . . 765 97 97 TYR H H 7.911 . . 766 97 97 TYR HA H 4.113 . . 767 97 97 TYR HB2 H 2.786 . . 768 97 97 TYR HB3 H 2.590 . . 769 97 97 TYR HD1 H 6.923 . . 770 97 97 TYR HE1 H 6.647 . . 771 97 97 TYR CA C 61.051 . . 772 97 97 TYR CB C 37.518 . . 773 97 97 TYR N N 117.345 . . 774 98 98 ALA H H 8.036 . . 775 98 98 ALA HA H 3.896 . . 776 98 98 ALA HB H 1.430 . . 777 98 98 ALA HB H 1.425 . . 778 98 98 ALA HB H 1.430 . . 779 98 98 ALA CA C 55.416 . . 780 98 98 ALA CB C 18.342 . . 781 98 98 ALA N N 122.790 . . 782 99 99 ASP H H 7.997 . . 783 99 99 ASP HA H 4.315 . . 784 99 99 ASP HB2 H 2.575 . . 785 99 99 ASP CA C 57.043 . . 786 99 99 ASP CB C 35.835 . . 787 99 99 ASP N N 117.098 . . 788 100 100 ALA H H 7.970 . . 789 100 100 ALA HA H 4.062 . . 790 100 100 ALA HB H 1.471 . . 791 100 100 ALA CA C 55.187 . . 792 100 100 ALA CB C 18.444 . . 793 100 100 ALA N N 122.888 . . 794 101 101 ALA H H 8.885 . . 795 101 101 ALA HA H 4.384 . . 796 101 101 ALA HB H 1.918 . . 797 101 101 ALA CA C 55.796 . . 798 101 101 ALA CB C 18.882 . . 799 101 101 ALA N N 123.055 . . 800 102 102 ARG H H 8.506 . . 801 102 102 ARG HA H 4.097 . . 802 102 102 ARG HB2 H 1.888 . . 803 102 102 ARG HB3 H 1.748 . . 804 102 102 ARG HD2 H 2.156 . . 805 102 102 ARG CA C 60.436 . . 806 102 102 ARG N N 117.828 . . 807 103 103 THR H H 8.288 . . 808 103 103 THR HA H 4.303 . . 809 103 103 THR HB H 3.833 . . 810 103 103 THR HG2 H 1.095 . . 811 103 103 THR CA C 67.310 . . 812 103 103 THR CB C 68.696 . . 813 103 103 THR CG2 C 22.363 . . 814 103 103 THR N N 119.228 . . 815 104 104 PHE H H 8.470 . . 816 104 104 PHE HA H 4.211 . . 817 104 104 PHE HB2 H 3.293 . . 818 104 104 PHE HB3 H 3.223 . . 819 104 104 PHE HD1 H 6.886 . . 820 104 104 PHE CA C 61.440 . . 821 104 104 PHE CB C 39.396 . . 822 104 104 PHE N N 124.087 . . 823 105 105 GLU H H 8.650 . . 824 105 105 GLU HA H 2.986 . . 825 105 105 GLU HB2 H 2.116 . . 826 105 105 GLU HB3 H 2.002 . . 827 105 105 GLU HG2 H 1.733 . . 828 105 105 GLU CA C 60.743 . . 829 105 105 GLU CB C 30.073 . . 830 105 105 GLU CG C 36.984 . . 831 105 105 GLU N N 120.556 . . 832 106 106 LYS H H 7.214 . . 833 106 106 LYS HA H 3.787 . . 834 106 106 LYS HB2 H 1.763 . . 835 106 106 LYS HD2 H 1.521 . . 836 106 106 LYS HE2 H 2.846 . . 837 106 106 LYS CA C 59.476 . . 838 106 106 LYS CB C 32.704 . . 839 106 106 LYS CG C 25.055 . . 840 106 106 LYS CD C 29.356 . . 841 106 106 LYS N N 115.733 . . 842 107 107 PHE H H 7.480 . . 843 107 107 PHE HA H 4.172 . . 844 107 107 PHE HB2 H 3.267 . . 845 107 107 PHE HB3 H 2.930 . . 846 107 107 PHE HD1 H 7.042 . . 847 107 107 PHE CA C 59.336 . . 848 107 107 PHE CB C 38.759 . . 849 107 107 PHE N N 121.486 . . 850 108 108 ALA H H 9.004 . . 851 108 108 ALA HA H 2.864 . . 852 108 108 ALA HB H 0.472 . . 853 108 108 ALA CA C 54.227 . . 854 108 108 ALA CB C 18.279 . . 855 108 108 ALA N N 124.171 . . 856 109 109 MET H H 8.331 . . 857 109 109 MET HA H 3.852 . . 858 109 109 MET HB2 H 1.940 . . 859 109 109 MET HB3 H 1.744 . . 860 109 109 MET HG2 H 2.687 . . 861 109 109 MET CA C 57.106 . . 862 109 109 MET CB C 30.657 . . 863 109 109 MET CG C 34.067 . . 864 109 109 MET N N 114.011 . . 865 110 110 GLY H H 7.292 . . 866 110 110 GLY HA2 H 3.656 . . 867 110 110 GLY CA C 47.100 . . 868 110 110 GLY N N 104.730 . . 869 111 111 LYS H H 7.532 . . 870 111 111 LYS HA H 3.766 . . 871 111 111 LYS HB2 H 1.274 . . 872 111 111 LYS HB3 H 1.214 . . 873 111 111 LYS HG2 H 0.780 . . 874 111 111 LYS CA C 57.641 . . 875 111 111 LYS CB C 31.761 . . 876 111 111 LYS CG C 23.698 . . 877 111 111 LYS CD C 28.104 . . 878 111 111 LYS N N 123.375 . . 879 112 112 ILE H H 8.034 . . 880 112 112 ILE HA H 3.295 . . 881 112 112 ILE HB H 1.539 . . 882 112 112 ILE HD1 H 0.691 . . 883 112 112 ILE CA C 66.028 . . 884 112 112 ILE CB C 38.251 . . 885 112 112 ILE CG2 C 18.991 . . 886 112 112 ILE N N 121.975 . . 887 113 113 ASP H H 8.362 . . 888 113 113 ASP HA H 4.334 . . 889 113 113 ASP HB2 H 2.492 . . 890 113 113 ASP HB3 H 2.354 . . 891 113 113 ASP CA C 57.549 . . 892 113 113 ASP CB C 39.563 . . 893 113 113 ASP N N 119.172 . . 894 114 114 ALA H H 7.876 . . 895 114 114 ALA HA H 3.951 . . 896 114 114 ALA HB H 1.277 . . 897 114 114 ALA CA C 54.918 . . 898 114 114 ALA CB C 17.711 . . 899 114 114 ALA N N 123.108 . . 900 115 115 TYR H H 7.426 . . 901 115 115 TYR HA H 3.863 . . 902 115 115 TYR HB2 H 2.967 . . 903 115 115 TYR HB3 H 2.776 . . 904 115 115 TYR HD1 H 6.497 . . 905 115 115 TYR CA C 61.782 . . 906 115 115 TYR CB C 38.008 . . 907 115 115 TYR N N 121.314 . . 908 116 116 ILE H H 7.791 . . 909 116 116 ILE HA H 3.053 . . 910 116 116 ILE HB H 1.691 . . 911 116 116 ILE HG2 H 0.760 . . 912 116 116 ILE HG2 H 0.776 . . 913 116 116 ILE HG2 H 0.760 . . 914 116 116 ILE CA C 66.008 . . 915 116 116 ILE CB C 38.884 . . 916 116 116 ILE CD1 C 14.460 . . 917 116 116 ILE N N 119.169 . . 918 117 117 SER H H 8.012 . . 919 117 117 SER HA H 3.975 . . 920 117 117 SER HB2 H 3.734 . . 921 117 117 SER CA C 61.431 . . 922 117 117 SER CB C 62.909 . . 923 117 117 SER N N 112.656 . . 924 118 118 GLN H H 7.547 . . 925 118 118 GLN HA H 3.918 . . 926 118 118 GLN HB2 H 1.913 . . 927 118 118 GLN HB3 H 1.935 . . 928 118 118 GLN HG2 H 2.290 . . 929 118 118 GLN HG3 H 2.184 . . 930 118 118 GLN HE21 H 7.119 . . 931 118 118 GLN HE22 H 6.644 . . 932 118 118 GLN CA C 57.665 . . 933 118 118 GLN CB C 34.092 . . 934 118 118 GLN CG C 33.596 . . 935 118 118 GLN N N 119.887 . . 936 118 118 GLN NE2 N 111.267 . . 937 119 119 LYS H H 7.483 . . 938 119 119 LYS HB2 H 1.716 . . 939 119 119 LYS CA C 55.716 . . 940 119 119 LYS CB C 31.570 . . 941 119 119 LYS CD C 26.983 . . 942 119 119 LYS CE C 41.904 . . 943 119 119 LYS N N 118.491 . . 944 120 120 VAL H H 7.952 . . 945 120 120 VAL HA H 3.883 . . 946 120 120 VAL HB H 1.999 . . 947 120 120 VAL HG1 H 0.802 . . 948 120 120 VAL CA C 63.767 . . 949 120 120 VAL CB C 32.269 . . 950 120 120 VAL CG1 C 21.255 . . 951 120 120 VAL N N 117.291 . . 952 121 121 GLY H H 7.952 . . 953 121 121 GLY HA2 H 3.797 . . 954 121 121 GLY CA C 45.621 . . 955 121 121 GLY N N 109.658 . . 956 122 122 GLY H H 7.957 . . 957 122 122 GLY HA2 H 3.817 . . 958 122 122 GLY CA C 45.376 . . 959 122 122 GLY N N 108.189 . . 960 123 123 LEU H H 7.857 . . 961 123 123 LEU HA H 4.116 . . 962 123 123 LEU HB2 H 1.447 . . 963 123 123 LEU HD1 H 0.665 . . 964 123 123 LEU HD1 H 0.721 . . 965 123 123 LEU HD1 H 0.665 . . 966 123 123 LEU CA C 55.468 . . 967 123 123 LEU CB C 42.275 . . 968 123 123 LEU CG C 26.997 . . 969 123 123 LEU CD1 C 24.646 . . 970 123 123 LEU CD2 C 23.166 . . 971 123 123 LEU N N 120.912 . . 972 124 124 GLU H H 8.240 . . 973 124 124 GLU CA C 56.303 . . 974 124 124 GLU CB C 30.146 . . 975 124 124 GLU N N 120.444 . . stop_ save_