data_25790 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of regulatory protein ; _BMRB_accession_number 25790 _BMRB_flat_file_name bmr25790.str _Entry_type original _Submission_date 2015-09-02 _Accession_date 2015-09-02 _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 Veverka Vaclav . . 2 Hexnerova Rozalie . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 442 "13C chemical shifts" 289 "15N chemical shifts" 83 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-13 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25791 'kinase in complex with its regulatory protein' stop_ _Original_release_date 2016-07-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural insights and in vitro reconstitution of membrane targeting and activation of human PI4KB by the ACBD3 protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27009356 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Klima Martin . . 2 Toth Daniel J. . 3 Hexnerova Rozalie . . 4 Baumlova Adriana . . 5 Chalupska Dominika . . 6 Tykvart Jan . . 7 Rezabkova Lenka . . 8 Sengupta Nivedita . . 9 Man Petr . . 10 Dubankova Anna . . 11 Humpolickova Jana . . 12 Nencka Radim . . 13 Veverka Vaclav . . 14 Balla Tamas . . 15 Boura Evzen . . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_volume 6 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 23641 _Page_last 23641 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'polyQ regulatory protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 8293.291 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 69 _Mol_residue_sequence ; MQQKQQIMAALNSQTAVQFQ QYAAQQYPGNYEQQQILIRQ LQEQHYQQYMQQLYQVQLAQ QQAALQKQQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLN 3 3 GLN 4 4 LYS 5 5 GLN 6 6 GLN 7 7 ILE 8 8 MET 9 9 ALA 10 10 ALA 11 11 LEU 12 12 ASN 13 13 SER 14 14 GLN 15 15 THR 16 16 ALA 17 17 VAL 18 18 GLN 19 19 PHE 20 20 GLN 21 21 GLN 22 22 TYR 23 23 ALA 24 24 ALA 25 25 GLN 26 26 GLN 27 27 TYR 28 28 PRO 29 29 GLY 30 30 ASN 31 31 TYR 32 32 GLU 33 33 GLN 34 34 GLN 35 35 GLN 36 36 ILE 37 37 LEU 38 38 ILE 39 39 ARG 40 40 GLN 41 41 LEU 42 42 GLN 43 43 GLU 44 44 GLN 45 45 HIS 46 46 TYR 47 47 GLN 48 48 GLN 49 49 TYR 50 50 MET 51 51 GLN 52 52 GLN 53 53 LEU 54 54 TYR 55 55 GLN 56 56 VAL 57 57 GLN 58 58 LEU 59 59 ALA 60 60 GLN 61 61 GLN 62 62 GLN 63 63 ALA 64 64 ALA 65 65 LEU 66 66 GLN 67 67 LYS 68 68 GLN 69 69 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli . n/a 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 0.28 mM '[U-13C; U-15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_YASARA _Saveframe_category software _Name YASARA _Version . loop_ _Vendor _Address _Electronic_address na . . stop_ loop_ _Task refinement 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 850 _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_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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' 0.1 . 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 '3D HNCACB' '3D HNCO' '3D HCCH-TOCSY' 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 2 2 GLN HA H 4.447 0.015 . 2 2 2 GLN HB2 H 2.217 0.015 . 3 2 2 GLN HB3 H 2.063 0.015 . 4 2 2 GLN HG2 H 2.468 0.015 . 5 2 2 GLN HG3 H 2.468 0.015 . 6 2 2 GLN C C 176.144 0.150 . 7 2 2 GLN CA C 56.209 0.150 . 8 2 2 GLN CB C 29.459 0.150 . 9 2 2 GLN CG C 34.052 0.150 . 10 3 3 GLN H H 8.780 0.015 . 11 3 3 GLN HA H 4.323 0.015 . 12 3 3 GLN HB2 H 2.226 0.015 . 13 3 3 GLN HB3 H 2.085 0.015 . 14 3 3 GLN HG2 H 2.457 0.015 . 15 3 3 GLN HG3 H 2.419 0.015 . 16 3 3 GLN C C 176.988 0.150 . 17 3 3 GLN CA C 57.403 0.150 . 18 3 3 GLN CB C 29.239 0.150 . 19 3 3 GLN CG C 34.053 0.150 . 20 3 3 GLN N N 122.052 0.150 . 21 4 4 LYS H H 8.528 0.015 . 22 4 4 LYS HA H 4.004 0.015 . 23 4 4 LYS HB2 H 1.891 0.015 . 24 4 4 LYS HB3 H 1.728 0.015 . 25 4 4 LYS HG2 H 0.995 0.015 . 26 4 4 LYS HG3 H 0.921 0.015 . 27 4 4 LYS HD2 H 1.547 0.015 . 28 4 4 LYS HD3 H 1.547 0.015 . 29 4 4 LYS HE2 H 2.727 0.015 . 30 4 4 LYS HE3 H 2.547 0.015 . 31 4 4 LYS C C 177.638 0.150 . 32 4 4 LYS CA C 60.239 0.150 . 33 4 4 LYS CB C 32.699 0.150 . 34 4 4 LYS CG C 24.650 0.150 . 35 4 4 LYS CD C 29.925 0.150 . 36 4 4 LYS CE C 42.186 0.150 . 37 4 4 LYS N N 121.855 0.150 . 38 5 5 GLN H H 8.223 0.015 . 39 5 5 GLN HA H 3.941 0.015 . 40 5 5 GLN HB2 H 2.122 0.015 . 41 5 5 GLN HB3 H 2.070 0.015 . 42 5 5 GLN HG2 H 2.442 0.015 . 43 5 5 GLN HG3 H 2.442 0.015 . 44 5 5 GLN C C 178.761 0.150 . 45 5 5 GLN CA C 59.349 0.150 . 46 5 5 GLN CB C 27.950 0.150 . 47 5 5 GLN CG C 34.207 0.150 . 48 5 5 GLN N N 116.397 0.150 . 49 6 6 GLN H H 7.848 0.015 . 50 6 6 GLN HA H 4.128 0.015 . 51 6 6 GLN HB2 H 2.249 0.015 . 52 6 6 GLN HB3 H 2.168 0.015 . 53 6 6 GLN HG2 H 2.427 0.015 . 54 6 6 GLN HG3 H 2.427 0.015 . 55 6 6 GLN C C 179.018 0.150 . 56 6 6 GLN CA C 59.089 0.150 . 57 6 6 GLN CB C 28.710 0.150 . 58 6 6 GLN CG C 34.239 0.150 . 59 6 6 GLN N N 119.262 0.150 . 60 7 7 ILE H H 8.095 0.015 . 61 7 7 ILE HA H 3.583 0.015 . 62 7 7 ILE HB H 2.110 0.015 . 63 7 7 ILE HG12 H 1.757 0.015 . 64 7 7 ILE HG13 H 1.176 0.015 . 65 7 7 ILE HG2 H 0.974 0.015 . 66 7 7 ILE HD1 H 1.006 0.015 . 67 7 7 ILE C C 177.833 0.150 . 68 7 7 ILE CA C 65.129 0.150 . 69 7 7 ILE CB C 38.206 0.150 . 70 7 7 ILE CG1 C 29.172 0.150 . 71 7 7 ILE CG2 C 17.221 0.150 . 72 7 7 ILE CD1 C 13.328 0.150 . 73 7 7 ILE N N 121.296 0.150 . 74 8 8 MET H H 8.672 0.015 . 75 8 8 MET HA H 3.985 0.015 . 76 8 8 MET HB2 H 2.002 0.015 . 77 8 8 MET HB3 H 1.850 0.015 . 78 8 8 MET HG2 H 2.504 0.015 . 79 8 8 MET HG3 H 2.384 0.015 . 80 8 8 MET HE H 1.923 0.015 . 81 8 8 MET C C 177.355 0.150 . 82 8 8 MET CA C 59.932 0.150 . 83 8 8 MET CB C 32.721 0.150 . 84 8 8 MET CG C 32.733 0.150 . 85 8 8 MET CE C 16.626 0.150 . 86 8 8 MET N N 117.603 0.150 . 87 9 9 ALA H H 7.795 0.015 . 88 9 9 ALA HA H 4.046 0.015 . 89 9 9 ALA HB H 1.482 0.015 . 90 9 9 ALA C C 180.546 0.150 . 91 9 9 ALA CA C 55.385 0.150 . 92 9 9 ALA CB C 17.898 0.150 . 93 9 9 ALA N N 118.774 0.150 . 94 10 10 ALA H H 7.438 0.015 . 95 10 10 ALA HA H 4.205 0.015 . 96 10 10 ALA HB H 1.467 0.015 . 97 10 10 ALA C C 181.200 0.150 . 98 10 10 ALA CA C 55.012 0.150 . 99 10 10 ALA CB C 19.261 0.150 . 100 10 10 ALA N N 120.854 0.150 . 101 11 11 LEU H H 8.757 0.015 . 102 11 11 LEU HA H 3.748 0.015 . 103 11 11 LEU HB2 H 2.050 0.015 . 104 11 11 LEU HB3 H 1.826 0.015 . 105 11 11 LEU HG H 1.677 0.015 . 106 11 11 LEU HD1 H 0.521 0.015 . 107 11 11 LEU HD2 H -0.157 0.015 . 108 11 11 LEU C C 179.041 0.150 . 109 11 11 LEU CA C 58.346 0.150 . 110 11 11 LEU CB C 39.977 0.150 . 111 11 11 LEU CG C 25.647 0.150 . 112 11 11 LEU CD1 C 26.105 0.150 . 113 11 11 LEU CD2 C 21.515 0.150 . 114 11 11 LEU N N 120.775 0.150 . 115 12 12 ASN H H 8.850 0.015 . 116 12 12 ASN HA H 4.564 0.015 . 117 12 12 ASN HB2 H 2.909 0.015 . 118 12 12 ASN HB3 H 2.792 0.015 . 119 12 12 ASN HD21 H 7.329 0.015 . 120 12 12 ASN HD22 H 6.171 0.015 . 121 12 12 ASN C C 178.900 0.150 . 122 12 12 ASN CA C 54.065 0.150 . 123 12 12 ASN CB C 36.993 0.150 . 124 12 12 ASN N N 116.313 0.150 . 125 12 12 ASN ND2 N 106.606 0.150 . 126 13 13 SER H H 7.672 0.015 . 127 13 13 SER HA H 4.370 0.015 . 128 13 13 SER HB2 H 4.031 0.015 . 129 13 13 SER HB3 H 4.031 0.015 . 130 13 13 SER C C 176.515 0.150 . 131 13 13 SER CA C 61.141 0.150 . 132 13 13 SER CB C 63.044 0.150 . 133 13 13 SER N N 114.747 0.150 . 134 14 14 GLN H H 7.573 0.015 . 135 14 14 GLN HA H 4.218 0.015 . 136 14 14 GLN HB2 H 2.255 0.015 . 137 14 14 GLN HB3 H 2.255 0.015 . 138 14 14 GLN HG2 H 2.276 0.015 . 139 14 14 GLN HG3 H 2.417 0.015 . 140 14 14 GLN HE21 H 7.522 0.015 . 141 14 14 GLN HE22 H 6.675 0.015 . 142 14 14 GLN C C 178.208 0.150 . 143 14 14 GLN CA C 57.749 0.150 . 144 14 14 GLN CB C 28.700 0.150 . 145 14 14 GLN CG C 33.813 0.150 . 146 14 14 GLN N N 119.954 0.150 . 147 14 14 GLN NE2 N 110.291 0.150 . 148 15 15 THR H H 7.741 0.015 . 149 15 15 THR HA H 3.899 0.015 . 150 15 15 THR HB H 2.503 0.015 . 151 15 15 THR HG1 H 5.703 0.015 . 152 15 15 THR HG2 H 0.380 0.015 . 153 15 15 THR C C 174.683 0.150 . 154 15 15 THR CA C 61.551 0.150 . 155 15 15 THR CB C 69.226 0.150 . 156 15 15 THR CG2 C 21.944 0.150 . 157 15 15 THR N N 107.493 0.150 . 158 16 16 ALA H H 6.873 0.015 . 159 16 16 ALA HA H 4.135 0.015 . 160 16 16 ALA HB H 1.519 0.015 . 161 16 16 ALA C C 179.899 0.150 . 162 16 16 ALA CA C 56.207 0.150 . 163 16 16 ALA CB C 18.724 0.150 . 164 16 16 ALA N N 124.034 0.150 . 165 17 17 VAL H H 8.162 0.015 . 166 17 17 VAL HA H 3.714 0.015 . 167 17 17 VAL HB H 1.978 0.015 . 168 17 17 VAL HG1 H 1.048 0.015 . 169 17 17 VAL HG2 H 0.897 0.015 . 170 17 17 VAL C C 178.537 0.150 . 171 17 17 VAL CA C 66.508 0.150 . 172 17 17 VAL CB C 31.693 0.150 . 173 17 17 VAL CG1 C 22.530 0.150 . 174 17 17 VAL CG2 C 20.919 0.150 . 175 17 17 VAL N N 117.150 0.150 . 176 18 18 GLN H H 8.451 0.015 . 177 18 18 GLN HA H 4.057 0.015 . 178 18 18 GLN HB2 H 1.759 0.015 . 179 18 18 GLN HB3 H 1.849 0.015 . 180 18 18 GLN HG2 H 2.365 0.015 . 181 18 18 GLN HG3 H 2.328 0.015 . 182 18 18 GLN HE21 H 7.426 0.015 . 183 18 18 GLN HE22 H 6.937 0.015 . 184 18 18 GLN C C 180.429 0.150 . 185 18 18 GLN CA C 59.699 0.150 . 186 18 18 GLN CB C 29.186 0.150 . 187 18 18 GLN CG C 35.136 0.150 . 188 18 18 GLN N N 119.489 0.150 . 189 18 18 GLN NE2 N 111.475 0.150 . 190 19 19 PHE H H 8.924 0.015 . 191 19 19 PHE HA H 4.830 0.015 . 192 19 19 PHE HB2 H 3.430 0.015 . 193 19 19 PHE HB3 H 3.143 0.015 . 194 19 19 PHE HD1 H 6.945 0.015 . 195 19 19 PHE HD2 H 6.945 0.015 . 196 19 19 PHE HE1 H 7.318 0.015 . 197 19 19 PHE HE2 H 7.318 0.015 . 198 19 19 PHE HZ H 6.765 0.015 . 199 19 19 PHE C C 177.858 0.150 . 200 19 19 PHE CA C 57.029 0.150 . 201 19 19 PHE CB C 35.905 0.150 . 202 19 19 PHE CD1 C 128.818 0.150 . 203 19 19 PHE CE1 C 132.077 0.150 . 204 19 19 PHE CZ C 128.423 0.150 . 205 19 19 PHE N N 117.940 0.150 . 206 20 20 GLN H H 8.264 0.015 . 207 20 20 GLN HA H 4.106 0.015 . 208 20 20 GLN HB2 H 2.336 0.015 . 209 20 20 GLN HB3 H 2.258 0.015 . 210 20 20 GLN HG2 H 2.606 0.015 . 211 20 20 GLN HG3 H 2.503 0.015 . 212 20 20 GLN HE21 H 7.388 0.015 . 213 20 20 GLN HE22 H 6.787 0.015 . 214 20 20 GLN C C 178.986 0.150 . 215 20 20 GLN CA C 59.563 0.150 . 216 20 20 GLN CB C 27.895 0.150 . 217 20 20 GLN CG C 34.196 0.150 . 218 20 20 GLN N N 120.297 0.150 . 219 20 20 GLN NE2 N 110.955 0.150 . 220 21 21 GLN H H 8.527 0.015 . 221 21 21 GLN HA H 4.082 0.015 . 222 21 21 GLN HB2 H 2.237 0.015 . 223 21 21 GLN HB3 H 2.121 0.015 . 224 21 21 GLN HG2 H 2.646 0.015 . 225 21 21 GLN HG3 H 2.404 0.015 . 226 21 21 GLN HE21 H 7.467 0.015 . 227 21 21 GLN HE22 H 6.799 0.015 . 228 21 21 GLN C C 178.806 0.150 . 229 21 21 GLN CA C 59.170 0.150 . 230 21 21 GLN CB C 28.196 0.150 . 231 21 21 GLN CG C 34.239 0.150 . 232 21 21 GLN N N 118.595 0.150 . 233 21 21 GLN NE2 N 111.478 0.150 . 234 22 22 TYR H H 7.843 0.015 . 235 22 22 TYR HA H 4.247 0.015 . 236 22 22 TYR HB2 H 3.330 0.015 . 237 22 22 TYR HB3 H 2.865 0.015 . 238 22 22 TYR HD1 H 6.958 0.015 . 239 22 22 TYR HD2 H 6.958 0.015 . 240 22 22 TYR HE1 H 6.649 0.015 . 241 22 22 TYR HE2 H 6.649 0.015 . 242 22 22 TYR C C 177.789 0.150 . 243 22 22 TYR CA C 61.712 0.150 . 244 22 22 TYR CB C 38.724 0.150 . 245 22 22 TYR CD1 C 132.543 0.150 . 246 22 22 TYR CE1 C 118.175 0.150 . 247 22 22 TYR N N 119.594 0.150 . 248 23 23 ALA H H 8.612 0.015 . 249 23 23 ALA HA H 3.857 0.015 . 250 23 23 ALA HB H 1.556 0.015 . 251 23 23 ALA C C 179.319 0.150 . 252 23 23 ALA CA C 55.589 0.150 . 253 23 23 ALA CB C 18.482 0.150 . 254 23 23 ALA N N 120.663 0.150 . 255 24 24 ALA H H 8.168 0.015 . 256 24 24 ALA HA H 3.938 0.015 . 257 24 24 ALA HB H 1.449 0.015 . 258 24 24 ALA C C 178.987 0.150 . 259 24 24 ALA CA C 54.317 0.150 . 260 24 24 ALA CB C 17.891 0.150 . 261 24 24 ALA N N 119.002 0.150 . 262 25 25 GLN H H 7.300 0.015 . 263 25 25 GLN HA H 4.004 0.015 . 264 25 25 GLN HB2 H 2.123 0.015 . 265 25 25 GLN HB3 H 2.026 0.015 . 266 25 25 GLN HG2 H 2.474 0.015 . 267 25 25 GLN HG3 H 2.285 0.015 . 268 25 25 GLN C C 177.818 0.150 . 269 25 25 GLN CA C 57.454 0.150 . 270 25 25 GLN CB C 28.455 0.150 . 271 25 25 GLN CG C 33.896 0.150 . 272 25 25 GLN N N 115.599 0.150 . 273 26 26 GLN H H 7.401 0.015 . 274 26 26 GLN HA H 3.704 0.015 . 275 26 26 GLN HB2 H 1.364 0.015 . 276 26 26 GLN HB3 H 1.235 0.015 . 277 26 26 GLN HG2 H 1.528 0.015 . 278 26 26 GLN HG3 H 1.372 0.015 . 279 26 26 GLN HE21 H 6.378 0.015 . 280 26 26 GLN HE22 H 6.665 0.015 . 281 26 26 GLN C C 175.979 0.150 . 282 26 26 GLN CA C 56.788 0.150 . 283 26 26 GLN CB C 29.080 0.150 . 284 26 26 GLN CG C 33.102 0.150 . 285 26 26 GLN N N 116.989 0.150 . 286 26 26 GLN NE2 N 113.001 0.150 . 287 27 27 TYR H H 7.675 0.015 . 288 27 27 TYR HA H 5.078 0.015 . 289 27 27 TYR HB2 H 2.616 0.015 . 290 27 27 TYR HB3 H 3.219 0.015 . 291 27 27 TYR HD1 H 6.932 0.015 . 292 27 27 TYR HD2 H 6.932 0.015 . 293 27 27 TYR HE1 H 6.788 0.015 . 294 27 27 TYR HE2 H 6.788 0.015 . 295 27 27 TYR C C 172.931 0.150 . 296 27 27 TYR CA C 55.167 0.150 . 297 27 27 TYR CB C 39.660 0.150 . 298 27 27 TYR CD1 C 133.272 0.150 . 299 27 27 TYR CE1 C 118.291 0.150 . 300 27 27 TYR N N 114.712 0.150 . 301 28 28 PRO HA H 4.362 0.015 . 302 28 28 PRO HB2 H 2.285 0.015 . 303 28 28 PRO HB3 H 1.939 0.015 . 304 28 28 PRO HG2 H 1.999 0.015 . 305 28 28 PRO HG3 H 1.999 0.015 . 306 28 28 PRO HD2 H 3.414 0.015 . 307 28 28 PRO HD3 H 3.217 0.015 . 308 28 28 PRO C C 179.333 0.150 . 309 28 28 PRO CA C 64.394 0.150 . 310 28 28 PRO CB C 31.254 0.150 . 311 28 28 PRO CG C 27.691 0.150 . 312 28 28 PRO CD C 50.130 0.150 . 313 29 29 GLY H H 8.826 0.015 . 314 29 29 GLY HA2 H 4.014 0.015 . 315 29 29 GLY HA3 H 3.861 0.015 . 316 29 29 GLY C C 173.218 0.150 . 317 29 29 GLY CA C 45.912 0.150 . 318 29 29 GLY N N 110.091 0.150 . 319 30 30 ASN H H 7.293 0.015 . 320 30 30 ASN HA H 4.999 0.015 . 321 30 30 ASN HB2 H 2.464 0.015 . 322 30 30 ASN HB3 H 3.095 0.015 . 323 30 30 ASN HD21 H 7.824 0.015 . 324 30 30 ASN HD22 H 6.974 0.015 . 325 30 30 ASN C C 173.977 0.150 . 326 30 30 ASN CA C 51.185 0.150 . 327 30 30 ASN CB C 38.426 0.150 . 328 30 30 ASN N N 118.603 0.150 . 329 30 30 ASN ND2 N 112.728 0.150 . 330 31 31 TYR H H 8.509 0.015 . 331 31 31 TYR HA H 3.898 0.015 . 332 31 31 TYR HB2 H 2.981 0.015 . 333 31 31 TYR HB3 H 3.118 0.015 . 334 31 31 TYR HD1 H 7.097 0.015 . 335 31 31 TYR HD2 H 7.097 0.015 . 336 31 31 TYR HE1 H 6.830 0.015 . 337 31 31 TYR HE2 H 6.830 0.015 . 338 31 31 TYR C C 177.343 0.150 . 339 31 31 TYR CA C 61.811 0.150 . 340 31 31 TYR CB C 38.357 0.150 . 341 31 31 TYR CD2 C 133.134 0.150 . 342 31 31 TYR CE2 C 118.383 0.150 . 343 31 31 TYR N N 125.240 0.150 . 344 32 32 GLU H H 8.714 0.015 . 345 32 32 GLU HA H 3.900 0.015 . 346 32 32 GLU HB2 H 2.016 0.015 . 347 32 32 GLU HB3 H 2.158 0.015 . 348 32 32 GLU HG2 H 2.311 0.015 . 349 32 32 GLU HG3 H 2.311 0.015 . 350 32 32 GLU C C 179.549 0.150 . 351 32 32 GLU CA C 60.112 0.150 . 352 32 32 GLU CB C 29.168 0.150 . 353 32 32 GLU CG C 36.615 0.150 . 354 32 32 GLU N N 118.993 0.150 . 355 33 33 GLN H H 7.536 0.015 . 356 33 33 GLN HA H 3.733 0.015 . 357 33 33 GLN HB2 H 1.370 0.015 . 358 33 33 GLN HB3 H 0.867 0.015 . 359 33 33 GLN HG2 H 1.772 0.015 . 360 33 33 GLN HG3 H 1.772 0.015 . 361 33 33 GLN HE21 H 6.938 0.015 . 362 33 33 GLN HE22 H 6.674 0.015 . 363 33 33 GLN C C 179.119 0.150 . 364 33 33 GLN CA C 57.702 0.150 . 365 33 33 GLN CB C 27.626 0.150 . 366 33 33 GLN CG C 33.036 0.150 . 367 33 33 GLN N N 117.037 0.150 . 368 33 33 GLN NE2 N 112.107 0.150 . 369 34 34 GLN H H 7.968 0.015 . 370 34 34 GLN HA H 3.811 0.015 . 371 34 34 GLN HB2 H 2.303 0.015 . 372 34 34 GLN HB3 H 1.922 0.015 . 373 34 34 GLN HG2 H 3.080 0.015 . 374 34 34 GLN HG3 H 2.218 0.015 . 375 34 34 GLN HE21 H 7.764 0.015 . 376 34 34 GLN HE22 H 6.969 0.015 . 377 34 34 GLN C C 177.634 0.150 . 378 34 34 GLN CA C 60.165 0.150 . 379 34 34 GLN CB C 27.501 0.150 . 380 34 34 GLN CG C 33.528 0.150 . 381 34 34 GLN N N 117.723 0.150 . 382 34 34 GLN NE2 N 110.314 0.150 . 383 35 35 GLN H H 7.870 0.015 . 384 35 35 GLN HA H 3.791 0.015 . 385 35 35 GLN HB2 H 2.025 0.015 . 386 35 35 GLN HB3 H 2.025 0.015 . 387 35 35 GLN HG2 H 2.016 0.015 . 388 35 35 GLN HG3 H 2.096 0.015 . 389 35 35 GLN HE21 H 6.938 0.015 . 390 35 35 GLN HE22 H 6.837 0.015 . 391 35 35 GLN C C 178.757 0.150 . 392 35 35 GLN CA C 58.610 0.150 . 393 35 35 GLN CB C 28.205 0.150 . 394 35 35 GLN CG C 33.884 0.150 . 395 35 35 GLN N N 115.293 0.150 . 396 35 35 GLN NE2 N 114.540 0.150 . 397 36 36 ILE H H 7.503 0.015 . 398 36 36 ILE HA H 3.564 0.015 . 399 36 36 ILE HB H 1.708 0.015 . 400 36 36 ILE HG12 H 1.014 0.015 . 401 36 36 ILE HG13 H 1.693 0.015 . 402 36 36 ILE HG2 H 0.844 0.015 . 403 36 36 ILE HD1 H 0.751 0.015 . 404 36 36 ILE C C 178.273 0.150 . 405 36 36 ILE CA C 65.236 0.150 . 406 36 36 ILE CB C 38.373 0.150 . 407 36 36 ILE CG1 C 29.305 0.150 . 408 36 36 ILE CG2 C 16.883 0.150 . 409 36 36 ILE CD1 C 13.355 0.150 . 410 36 36 ILE N N 120.769 0.150 . 411 37 37 LEU H H 7.678 0.015 . 412 37 37 LEU HA H 4.309 0.015 . 413 37 37 LEU HB2 H 2.111 0.015 . 414 37 37 LEU HB3 H 1.787 0.015 . 415 37 37 LEU HG H 1.622 0.015 . 416 37 37 LEU HD1 H 1.100 0.015 . 417 37 37 LEU HD2 H 1.157 0.015 . 418 37 37 LEU C C 178.348 0.150 . 419 37 37 LEU CA C 57.734 0.150 . 420 37 37 LEU CB C 41.516 0.150 . 421 37 37 LEU CG C 27.552 0.150 . 422 37 37 LEU CD1 C 26.765 0.150 . 423 37 37 LEU CD2 C 22.803 0.150 . 424 37 37 LEU N N 121.056 0.150 . 425 38 38 ILE H H 8.702 0.015 . 426 38 38 ILE HA H 3.341 0.015 . 427 38 38 ILE HB H 1.745 0.015 . 428 38 38 ILE HG12 H 1.858 0.015 . 429 38 38 ILE HG13 H 0.687 0.015 . 430 38 38 ILE HG2 H 0.925 0.015 . 431 38 38 ILE HD1 H 0.877 0.015 . 432 38 38 ILE C C 177.371 0.150 . 433 38 38 ILE CA C 67.085 0.150 . 434 38 38 ILE CB C 38.349 0.150 . 435 38 38 ILE CG1 C 30.736 0.150 . 436 38 38 ILE CG2 C 17.330 0.150 . 437 38 38 ILE CD1 C 14.241 0.150 . 438 38 38 ILE N N 119.334 0.150 . 439 39 39 ARG H H 7.739 0.015 . 440 39 39 ARG HA H 4.215 0.015 . 441 39 39 ARG HB2 H 1.944 0.015 . 442 39 39 ARG HB3 H 1.944 0.015 . 443 39 39 ARG HG2 H 1.839 0.015 . 444 39 39 ARG HG3 H 1.700 0.015 . 445 39 39 ARG HD2 H 3.222 0.015 . 446 39 39 ARG HD3 H 3.260 0.015 . 447 39 39 ARG C C 179.555 0.150 . 448 39 39 ARG CA C 59.459 0.150 . 449 39 39 ARG CB C 29.752 0.150 . 450 39 39 ARG CG C 27.795 0.150 . 451 39 39 ARG CD C 43.535 0.150 . 452 39 39 ARG N N 117.798 0.150 . 453 40 40 GLN H H 7.811 0.015 . 454 40 40 GLN HA H 4.137 0.015 . 455 40 40 GLN HB2 H 2.426 0.015 . 456 40 40 GLN HB3 H 2.124 0.015 . 457 40 40 GLN HG2 H 2.627 0.015 . 458 40 40 GLN HG3 H 2.341 0.015 . 459 40 40 GLN HE21 H 7.284 0.015 . 460 40 40 GLN HE22 H 6.706 0.015 . 461 40 40 GLN C C 179.522 0.150 . 462 40 40 GLN CA C 59.260 0.150 . 463 40 40 GLN CB C 28.358 0.150 . 464 40 40 GLN CG C 33.888 0.150 . 465 40 40 GLN N N 119.432 0.150 . 466 40 40 GLN NE2 N 110.195 0.150 . 467 41 41 LEU H H 8.648 0.015 . 468 41 41 LEU HA H 3.687 0.015 . 469 41 41 LEU HB2 H 1.312 0.015 . 470 41 41 LEU HB3 H -0.253 0.015 . 471 41 41 LEU HG H 1.652 0.015 . 472 41 41 LEU HD1 H 0.459 0.015 . 473 41 41 LEU HD2 H 0.422 0.015 . 474 41 41 LEU C C 178.974 0.150 . 475 41 41 LEU CA C 57.963 0.150 . 476 41 41 LEU CB C 39.852 0.150 . 477 41 41 LEU CG C 25.745 0.150 . 478 41 41 LEU CD1 C 25.653 0.150 . 479 41 41 LEU CD2 C 22.456 0.150 . 480 41 41 LEU N N 121.592 0.150 . 481 42 42 GLN H H 8.641 0.015 . 482 42 42 GLN HA H 4.544 0.015 . 483 42 42 GLN HB2 H 2.505 0.015 . 484 42 42 GLN HB3 H 2.219 0.015 . 485 42 42 GLN HG2 H 2.967 0.015 . 486 42 42 GLN HG3 H 2.544 0.015 . 487 42 42 GLN HE21 H 8.290 0.015 . 488 42 42 GLN HE22 H 6.488 0.015 . 489 42 42 GLN C C 180.176 0.150 . 490 42 42 GLN CA C 59.234 0.150 . 491 42 42 GLN CB C 27.920 0.150 . 492 42 42 GLN CG C 33.985 0.150 . 493 42 42 GLN N N 119.054 0.150 . 494 42 42 GLN NE2 N 110.851 0.150 . 495 43 43 GLU H H 8.111 0.015 . 496 43 43 GLU HA H 4.236 0.015 . 497 43 43 GLU HB2 H 2.271 0.015 . 498 43 43 GLU HB3 H 2.235 0.015 . 499 43 43 GLU HG2 H 2.467 0.015 . 500 43 43 GLU HG3 H 2.418 0.015 . 501 43 43 GLU C C 179.721 0.150 . 502 43 43 GLU CA C 59.667 0.150 . 503 43 43 GLU CB C 29.258 0.150 . 504 43 43 GLU CG C 35.956 0.150 . 505 43 43 GLU N N 121.517 0.150 . 506 44 44 GLN H H 8.372 0.015 . 507 44 44 GLN HA H 4.116 0.015 . 508 44 44 GLN HB2 H 2.185 0.015 . 509 44 44 GLN HB3 H 2.253 0.015 . 510 44 44 GLN HG2 H 2.627 0.015 . 511 44 44 GLN HG3 H 2.464 0.015 . 512 44 44 GLN HE21 H 7.276 0.015 . 513 44 44 GLN HE22 H 6.478 0.015 . 514 44 44 GLN C C 179.012 0.150 . 515 44 44 GLN CA C 59.149 0.150 . 516 44 44 GLN CB C 28.854 0.150 . 517 44 44 GLN CG C 34.684 0.150 . 518 44 44 GLN N N 119.240 0.150 . 519 44 44 GLN NE2 N 109.531 0.150 . 520 45 45 HIS H H 9.472 0.015 . 521 45 45 HIS HA H 4.280 0.015 . 522 45 45 HIS HB2 H 3.859 0.015 . 523 45 45 HIS HB3 H 3.593 0.015 . 524 45 45 HIS HD2 H 6.646 0.015 . 525 45 45 HIS HE1 H 7.284 0.015 . 526 45 45 HIS C C 176.395 0.150 . 527 45 45 HIS CA C 60.359 0.150 . 528 45 45 HIS CB C 32.325 0.150 . 529 45 45 HIS CD2 C 114.858 0.150 . 530 45 45 HIS CE1 C 137.827 0.150 . 531 45 45 HIS N N 121.705 0.150 . 532 46 46 TYR H H 8.253 0.015 . 533 46 46 TYR HA H 3.849 0.015 . 534 46 46 TYR HB2 H 3.200 0.015 . 535 46 46 TYR HB3 H 3.325 0.015 . 536 46 46 TYR HD1 H 6.979 0.015 . 537 46 46 TYR HD2 H 6.979 0.015 . 538 46 46 TYR HE1 H 6.796 0.015 . 539 46 46 TYR HE2 H 6.796 0.015 . 540 46 46 TYR C C 176.664 0.150 . 541 46 46 TYR CA C 62.251 0.150 . 542 46 46 TYR CB C 37.672 0.150 . 543 46 46 TYR CD1 C 133.025 0.150 . 544 46 46 TYR CE1 C 118.149 0.150 . 545 46 46 TYR N N 119.039 0.150 . 546 47 47 GLN H H 7.814 0.015 . 547 47 47 GLN HA H 3.784 0.015 . 548 47 47 GLN HB2 H 2.213 0.015 . 549 47 47 GLN HB3 H 2.213 0.015 . 550 47 47 GLN HG2 H 2.683 0.015 . 551 47 47 GLN HG3 H 2.611 0.015 . 552 47 47 GLN C C 179.048 0.150 . 553 47 47 GLN CA C 58.949 0.150 . 554 47 47 GLN CB C 28.181 0.150 . 555 47 47 GLN CG C 33.470 0.150 . 556 47 47 GLN N N 116.407 0.150 . 557 48 48 GLN H H 8.645 0.015 . 558 48 48 GLN HA H 3.977 0.015 . 559 48 48 GLN HB2 H 2.292 0.015 . 560 48 48 GLN HB3 H 2.113 0.015 . 561 48 48 GLN HG2 H 2.717 0.015 . 562 48 48 GLN HG3 H 2.442 0.015 . 563 48 48 GLN HE21 H 7.918 0.015 . 564 48 48 GLN HE22 H 6.873 0.015 . 565 48 48 GLN C C 177.741 0.150 . 566 48 48 GLN CA C 58.314 0.150 . 567 48 48 GLN CB C 28.328 0.150 . 568 48 48 GLN CG C 33.240 0.150 . 569 48 48 GLN N N 119.803 0.150 . 570 48 48 GLN NE2 N 112.462 0.150 . 571 49 49 TYR H H 9.105 0.015 . 572 49 49 TYR HA H 3.640 0.015 . 573 49 49 TYR HB2 H 2.888 0.015 . 574 49 49 TYR HB3 H 2.360 0.015 . 575 49 49 TYR HD1 H 6.550 0.015 . 576 49 49 TYR HD2 H 6.550 0.015 . 577 49 49 TYR HE1 H 6.912 0.015 . 578 49 49 TYR HE2 H 6.912 0.015 . 579 49 49 TYR C C 176.021 0.150 . 580 49 49 TYR CA C 62.109 0.150 . 581 49 49 TYR CB C 38.907 0.150 . 582 49 49 TYR CD1 C 133.041 0.150 . 583 49 49 TYR CE1 C 117.798 0.150 . 584 49 49 TYR N N 121.342 0.150 . 585 50 50 MET H H 8.060 0.015 . 586 50 50 MET HA H 4.040 0.015 . 587 50 50 MET HB2 H 1.859 0.015 . 588 50 50 MET HB3 H 1.744 0.015 . 589 50 50 MET HG2 H 2.111 0.015 . 590 50 50 MET HG3 H 2.054 0.015 . 591 50 50 MET HE H 2.027 0.015 . 592 50 50 MET C C 179.841 0.150 . 593 50 50 MET CA C 56.623 0.150 . 594 50 50 MET CB C 30.099 0.150 . 595 50 50 MET CG C 32.257 0.150 . 596 50 50 MET CE C 16.634 0.150 . 597 50 50 MET N N 115.522 0.150 . 598 51 51 GLN H H 7.830 0.015 . 599 51 51 GLN HA H 4.065 0.015 . 600 51 51 GLN HB2 H 2.148 0.015 . 601 51 51 GLN HB3 H 2.148 0.015 . 602 51 51 GLN HG2 H 2.390 0.015 . 603 51 51 GLN HG3 H 2.140 0.015 . 604 51 51 GLN C C 178.707 0.150 . 605 51 51 GLN CA C 58.941 0.150 . 606 51 51 GLN CB C 28.489 0.150 . 607 51 51 GLN CG C 33.834 0.150 . 608 51 51 GLN N N 118.942 0.150 . 609 52 52 GLN H H 8.187 0.015 . 610 52 52 GLN HA H 4.057 0.015 . 611 52 52 GLN HB2 H 1.965 0.015 . 612 52 52 GLN HB3 H 2.034 0.015 . 613 52 52 GLN HG2 H 2.464 0.015 . 614 52 52 GLN HG3 H 2.464 0.015 . 615 52 52 GLN HE21 H 7.548 0.015 . 616 52 52 GLN HE22 H 6.334 0.015 . 617 52 52 GLN C C 178.738 0.150 . 618 52 52 GLN CA C 58.749 0.150 . 619 52 52 GLN CB C 28.403 0.150 . 620 52 52 GLN CG C 34.487 0.150 . 621 52 52 GLN N N 119.210 0.150 . 622 52 52 GLN NE2 N 110.017 0.150 . 623 53 53 LEU H H 8.441 0.015 . 624 53 53 LEU HA H 3.841 0.015 . 625 53 53 LEU HB2 H 1.168 0.015 . 626 53 53 LEU HB3 H 1.412 0.015 . 627 53 53 LEU HG H 1.300 0.015 . 628 53 53 LEU HD1 H 0.761 0.015 . 629 53 53 LEU HD2 H 0.761 0.015 . 630 53 53 LEU C C 179.191 0.150 . 631 53 53 LEU CA C 57.745 0.150 . 632 53 53 LEU CB C 41.866 0.150 . 633 53 53 LEU CG C 26.456 0.150 . 634 53 53 LEU CD1 C 24.215 0.150 . 635 53 53 LEU N N 121.233 0.150 . 636 54 54 TYR H H 7.819 0.015 . 637 54 54 TYR HA H 4.318 0.015 . 638 54 54 TYR HB2 H 3.145 0.015 . 639 54 54 TYR HB3 H 3.145 0.015 . 640 54 54 TYR HD1 H 7.117 0.015 . 641 54 54 TYR HD2 H 7.117 0.015 . 642 54 54 TYR HE1 H 6.779 0.015 . 643 54 54 TYR HE2 H 6.779 0.015 . 644 54 54 TYR C C 177.535 0.150 . 645 54 54 TYR CA C 60.477 0.150 . 646 54 54 TYR CB C 37.786 0.150 . 647 54 54 TYR CD1 C 132.998 0.150 . 648 54 54 TYR CE1 C 118.133 0.150 . 649 54 54 TYR N N 118.505 0.150 . 650 55 55 GLN H H 7.735 0.015 . 651 55 55 GLN HA H 3.899 0.015 . 652 55 55 GLN HB2 H 2.198 0.015 . 653 55 55 GLN HB3 H 2.198 0.015 . 654 55 55 GLN HG2 H 2.530 0.015 . 655 55 55 GLN HG3 H 2.552 0.015 . 656 55 55 GLN C C 179.041 0.150 . 657 55 55 GLN CA C 58.709 0.150 . 658 55 55 GLN CB C 28.215 0.150 . 659 55 55 GLN CG C 33.936 0.150 . 660 55 55 GLN N N 117.299 0.150 . 661 56 56 VAL H H 8.014 0.015 . 662 56 56 VAL HA H 3.792 0.015 . 663 56 56 VAL HB H 2.201 0.015 . 664 56 56 VAL HG1 H 0.938 0.015 . 665 56 56 VAL HG2 H 1.054 0.015 . 666 56 56 VAL C C 178.262 0.150 . 667 56 56 VAL CA C 65.942 0.150 . 668 56 56 VAL CB C 31.879 0.150 . 669 56 56 VAL CG1 C 21.060 0.150 . 670 56 56 VAL CG2 C 22.482 0.150 . 671 56 56 VAL N N 120.879 0.150 . 672 57 57 GLN H H 8.103 0.015 . 673 57 57 GLN HA H 4.060 0.015 . 674 57 57 GLN HB2 H 2.045 0.015 . 675 57 57 GLN HB3 H 2.157 0.015 . 676 57 57 GLN HG2 H 2.521 0.015 . 677 57 57 GLN HG3 H 2.329 0.015 . 678 57 57 GLN HE21 H 7.400 0.015 . 679 57 57 GLN HE22 H 6.793 0.015 . 680 57 57 GLN C C 178.772 0.150 . 681 57 57 GLN CA C 58.616 0.150 . 682 57 57 GLN CB C 27.985 0.150 . 683 57 57 GLN N N 120.513 0.150 . 684 57 57 GLN NE2 N 110.743 0.150 . 685 58 58 LEU H H 8.176 0.015 . 686 58 58 LEU HA H 4.005 0.015 . 687 58 58 LEU HB2 H 1.495 0.015 . 688 58 58 LEU HB3 H 1.495 0.015 . 689 58 58 LEU HG H 1.423 0.015 . 690 58 58 LEU HD1 H 0.771 0.015 . 691 58 58 LEU HD2 H 0.783 0.015 . 692 58 58 LEU C C 179.134 0.150 . 693 58 58 LEU CA C 57.506 0.150 . 694 58 58 LEU CB C 41.803 0.150 . 695 58 58 LEU CG C 26.639 0.150 . 696 58 58 LEU CD1 C 24.267 0.150 . 697 58 58 LEU CD2 C 23.770 0.150 . 698 58 58 LEU N N 121.244 0.150 . 699 59 59 ALA H H 7.833 0.015 . 700 59 59 ALA HA H 4.165 0.015 . 701 59 59 ALA HB H 1.495 0.015 . 702 59 59 ALA C C 180.497 0.150 . 703 59 59 ALA CA C 54.582 0.150 . 704 59 59 ALA CB C 18.053 0.150 . 705 59 59 ALA N N 121.608 0.150 . 706 60 60 GLN H H 8.081 0.015 . 707 60 60 GLN HA H 4.148 0.015 . 708 60 60 GLN HB2 H 2.143 0.015 . 709 60 60 GLN HB3 H 2.190 0.015 . 710 60 60 GLN HG2 H 2.565 0.015 . 711 60 60 GLN HG3 H 2.417 0.015 . 712 60 60 GLN C C 178.334 0.150 . 713 60 60 GLN CA C 57.977 0.150 . 714 60 60 GLN CB C 28.435 0.150 . 715 60 60 GLN N N 118.335 0.150 . 716 61 61 GLN H H 8.111 0.015 . 717 61 61 GLN HA H 4.162 0.015 . 718 61 61 GLN HB2 H 2.175 0.015 . 719 61 61 GLN HB3 H 2.175 0.015 . 720 61 61 GLN HG2 H 2.515 0.015 . 721 61 61 GLN HG3 H 2.395 0.015 . 722 61 61 GLN C C 178.002 0.150 . 723 61 61 GLN CA C 57.905 0.150 . 724 61 61 GLN CB C 28.579 0.150 . 725 61 61 GLN N N 120.206 0.150 . 726 62 62 GLN H H 8.203 0.015 . 727 62 62 GLN HA H 4.129 0.015 . 728 62 62 GLN HB2 H 2.111 0.015 . 729 62 62 GLN HB3 H 2.111 0.015 . 730 62 62 GLN HG2 H 2.468 0.015 . 731 62 62 GLN HG3 H 2.417 0.015 . 732 62 62 GLN HE21 H 7.455 0.015 . 733 62 62 GLN HE22 H 6.840 0.015 . 734 62 62 GLN C C 177.624 0.150 . 735 62 62 GLN CA C 57.636 0.150 . 736 62 62 GLN CB C 28.636 0.150 . 737 62 62 GLN N N 118.980 0.150 . 738 62 62 GLN NE2 N 111.893 0.150 . 739 63 63 ALA H H 8.004 0.015 . 740 63 63 ALA HA H 4.206 0.015 . 741 63 63 ALA HB H 1.450 0.015 . 742 63 63 ALA C C 178.922 0.150 . 743 63 63 ALA CA C 53.896 0.150 . 744 63 63 ALA CB C 18.459 0.150 . 745 63 63 ALA N N 122.712 0.150 . 746 64 64 ALA H H 7.837 0.015 . 747 64 64 ALA HA H 4.232 0.015 . 748 64 64 ALA HB H 1.455 0.015 . 749 64 64 ALA C C 178.732 0.150 . 750 64 64 ALA CA C 53.516 0.150 . 751 64 64 ALA CB C 18.630 0.150 . 752 64 64 ALA N N 120.813 0.150 . 753 65 65 LEU H H 7.765 0.015 . 754 65 65 LEU HA H 4.257 0.015 . 755 65 65 LEU HB2 H 1.613 0.015 . 756 65 65 LEU HB3 H 1.743 0.015 . 757 65 65 LEU HG H 1.739 0.015 . 758 65 65 LEU HD1 H 0.926 0.015 . 759 65 65 LEU HD2 H 0.884 0.015 . 760 65 65 LEU C C 178.038 0.150 . 761 65 65 LEU CA C 55.822 0.150 . 762 65 65 LEU CB C 42.264 0.150 . 763 65 65 LEU CG C 26.824 0.150 . 764 65 65 LEU CD1 C 24.846 0.150 . 765 65 65 LEU CD2 C 23.303 0.150 . 766 65 65 LEU N N 119.196 0.150 . 767 66 66 GLN H H 7.967 0.015 . 768 66 66 GLN HA H 4.275 0.015 . 769 66 66 GLN HB2 H 2.036 0.015 . 770 66 66 GLN HB3 H 2.140 0.015 . 771 66 66 GLN HG2 H 2.417 0.015 . 772 66 66 GLN HG3 H 2.417 0.015 . 773 66 66 GLN C C 176.120 0.150 . 774 66 66 GLN CA C 56.067 0.150 . 775 66 66 GLN CB C 29.132 0.150 . 776 66 66 GLN N N 119.365 0.150 . 777 67 67 LYS H H 8.053 0.015 . 778 67 67 LYS HA H 4.309 0.015 . 779 67 67 LYS HB2 H 1.792 0.015 . 780 67 67 LYS HB3 H 1.868 0.015 . 781 67 67 LYS HG2 H 1.455 0.015 . 782 67 67 LYS HG3 H 1.455 0.015 . 783 67 67 LYS HD2 H 1.694 0.015 . 784 67 67 LYS HD3 H 1.694 0.015 . 785 67 67 LYS HE2 H 3.004 0.015 . 786 67 67 LYS HE3 H 3.004 0.015 . 787 67 67 LYS C C 176.437 0.150 . 788 67 67 LYS CA C 56.389 0.150 . 789 67 67 LYS CB C 33.041 0.150 . 790 67 67 LYS CG C 24.761 0.150 . 791 67 67 LYS CD C 29.064 0.150 . 792 67 67 LYS CE C 42.151 0.150 . 793 67 67 LYS N N 121.521 0.150 . 794 68 68 GLN H H 8.314 0.015 . 795 68 68 GLN HA H 4.339 0.015 . 796 68 68 GLN HB2 H 2.012 0.015 . 797 68 68 GLN HB3 H 2.153 0.015 . 798 68 68 GLN HG2 H 2.401 0.015 . 799 68 68 GLN HG3 H 2.401 0.015 . 800 68 68 GLN C C 175.120 0.150 . 801 68 68 GLN CA C 56.000 0.150 . 802 68 68 GLN CB C 29.498 0.150 . 803 68 68 GLN N N 121.970 0.150 . 804 69 69 GLN H H 8.016 0.015 . 805 69 69 GLN HA H 4.157 0.015 . 806 69 69 GLN HB2 H 2.123 0.015 . 807 69 69 GLN HB3 H 1.941 0.015 . 808 69 69 GLN HG2 H 2.314 0.015 . 809 69 69 GLN HG3 H 2.314 0.015 . 810 69 69 GLN C C 180.477 0.150 . 811 69 69 GLN CA C 57.444 0.150 . 812 69 69 GLN CB C 30.413 0.150 . 813 69 69 GLN CG C 34.309 0.150 . 814 69 69 GLN N N 126.854 0.150 . stop_ save_