data_25791 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of kinase in complex with its regulatory protein ; _BMRB_accession_number 25791 _BMRB_flat_file_name bmr25791.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 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 859 "13C chemical shifts" 611 "15N chemical shifts" 155 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-13 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25790 'polyQ 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 'kinase in complex with its regulatory protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 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_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _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_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 8010.200 _Mol_thiol_state 'all free' _Details . _Residue_count 80 _Mol_residue_sequence ; GAMVEARSLAVAMGDTVVEP APLKPTSEPTSGPPGNNGGS LLSVITEGVGELSVIDPEVA QKACQEVLEKVKLLHGGVAV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 101 GLY 2 102 ALA 3 103 MET 4 104 VAL 5 105 GLU 6 106 ALA 7 107 ARG 8 108 SER 9 109 LEU 10 110 ALA 11 111 VAL 12 112 ALA 13 113 MET 14 114 GLY 15 115 ASP 16 116 THR 17 117 VAL 18 118 VAL 19 119 GLU 20 120 PRO 21 121 ALA 22 122 PRO 23 123 LEU 24 124 LYS 25 125 PRO 26 126 THR 27 127 SER 28 128 GLU 29 129 PRO 30 130 THR 31 131 SER 32 132 GLY 33 133 PRO 34 134 PRO 35 135 GLY 36 136 ASN 37 137 ASN 38 138 GLY 39 139 GLY 40 140 SER 41 141 LEU 42 142 LEU 43 143 SER 44 144 VAL 45 145 ILE 46 146 THR 47 147 GLU 48 148 GLY 49 149 VAL 50 150 GLY 51 151 GLU 52 152 LEU 53 153 SER 54 154 VAL 55 155 ILE 56 156 ASP 57 157 PRO 58 158 GLU 59 159 VAL 60 160 ALA 61 161 GLN 62 162 LYS 63 163 ALA 64 164 CYS 65 165 GLN 66 166 GLU 67 167 VAL 68 168 LEU 69 169 GLU 70 170 LYS 71 171 VAL 72 172 LYS 73 173 LEU 74 174 LEU 75 175 HIS 76 176 GLY 77 177 GLY 78 178 VAL 79 179 ALA 80 180 VAL 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_1 human 9606 Eukaryota Metazoa Homo sapiens $entity_2 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_1 'recombinant technology' . Escherichia coli . n/a $entity_2 '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_1 0.47 mM '[U-13C; U-15N]' $entity_2 0.47 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_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_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 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 CD2 C 133.025 0.150 . 544 46 46 TYR CE2 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_ save_assigned_chem_shift_list_1_2 _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_2 _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 1 102 2 ALA HA H 4.350 0.015 . 2 102 2 ALA HB H 1.388 0.015 . 3 102 2 ALA C C 177.675 0.150 . 4 102 2 ALA CA C 52.458 0.150 . 5 102 2 ALA CB C 19.471 0.150 . 6 103 3 MET H H 8.481 0.015 . 7 103 3 MET HA H 4.485 0.015 . 8 103 3 MET HB2 H 2.054 0.015 . 9 103 3 MET HB3 H 2.054 0.015 . 10 103 3 MET HG2 H 2.562 0.015 . 11 103 3 MET HG3 H 2.562 0.015 . 12 103 3 MET HE H 2.108 0.015 . 13 103 3 MET C C 176.190 0.150 . 14 103 3 MET CA C 55.644 0.150 . 15 103 3 MET CB C 32.889 0.150 . 16 103 3 MET CG C 31.981 0.150 . 17 103 3 MET CE C 16.992 0.150 . 18 103 3 MET N N 120.400 0.150 . 19 104 4 VAL H H 8.193 0.015 . 20 104 4 VAL HA H 4.098 0.015 . 21 104 4 VAL HB H 2.050 0.015 . 22 104 4 VAL HG1 H 0.930 0.015 . 23 104 4 VAL HG2 H 0.930 0.015 . 24 104 4 VAL C C 176.023 0.150 . 25 104 4 VAL CA C 62.377 0.150 . 26 104 4 VAL CB C 32.855 0.150 . 27 104 4 VAL CG1 C 20.853 0.150 . 28 104 4 VAL N N 122.150 0.150 . 29 105 5 GLU H H 8.495 0.015 . 30 105 5 GLU HA H 4.266 0.015 . 31 105 5 GLU HB2 H 2.035 0.015 . 32 105 5 GLU HB3 H 1.933 0.015 . 33 105 5 GLU HG2 H 2.259 0.015 . 34 105 5 GLU HG3 H 2.259 0.015 . 35 105 5 GLU C C 176.194 0.150 . 36 105 5 GLU CA C 56.488 0.150 . 37 105 5 GLU CB C 30.373 0.150 . 38 105 5 GLU CG C 36.328 0.150 . 39 105 5 GLU N N 125.220 0.150 . 40 106 6 ALA H H 8.394 0.015 . 41 106 6 ALA HA H 4.293 0.015 . 42 106 6 ALA HB H 1.390 0.015 . 43 106 6 ALA C C 177.899 0.150 . 44 106 6 ALA CA C 52.727 0.150 . 45 106 6 ALA CB C 19.107 0.150 . 46 106 6 ALA N N 126.016 0.150 . 47 107 7 ARG H H 8.339 0.015 . 48 107 7 ARG HA H 4.332 0.015 . 49 107 7 ARG HB2 H 1.792 0.015 . 50 107 7 ARG HB3 H 1.864 0.015 . 51 107 7 ARG HG2 H 1.646 0.015 . 52 107 7 ARG HG3 H 1.646 0.015 . 53 107 7 ARG HD2 H 3.205 0.015 . 54 107 7 ARG HD3 H 3.205 0.015 . 55 107 7 ARG C C 176.466 0.150 . 56 107 7 ARG CA C 56.237 0.150 . 57 107 7 ARG CB C 30.778 0.150 . 58 107 7 ARG CG C 27.011 0.150 . 59 107 7 ARG CD C 43.418 0.150 . 60 107 7 ARG N N 120.173 0.150 . 61 108 8 SER H H 8.289 0.015 . 62 108 8 SER HA H 4.432 0.015 . 63 108 8 SER HB2 H 3.876 0.015 . 64 108 8 SER HB3 H 3.876 0.015 . 65 108 8 SER C C 174.638 0.150 . 66 108 8 SER CA C 58.432 0.150 . 67 108 8 SER CB C 63.752 0.150 . 68 108 8 SER N N 116.826 0.150 . 69 109 9 LEU H H 8.232 0.015 . 70 109 9 LEU HA H 4.343 0.015 . 71 109 9 LEU HB2 H 1.627 0.015 . 72 109 9 LEU HB3 H 1.627 0.015 . 73 109 9 LEU HG H 1.636 0.015 . 74 109 9 LEU HD1 H 0.924 0.015 . 75 109 9 LEU HD2 H 0.866 0.015 . 76 109 9 LEU C C 177.090 0.150 . 77 109 9 LEU CA C 55.333 0.150 . 78 109 9 LEU CB C 42.376 0.150 . 79 109 9 LEU CG C 26.948 0.150 . 80 109 9 LEU CD1 C 24.749 0.150 . 81 109 9 LEU CD2 C 23.502 0.150 . 82 109 9 LEU N N 124.322 0.150 . 83 110 10 ALA H H 8.162 0.015 . 84 110 10 ALA HA H 4.315 0.015 . 85 110 10 ALA HB H 1.370 0.015 . 86 110 10 ALA C C 177.767 0.150 . 87 110 10 ALA CA C 52.662 0.150 . 88 110 10 ALA CB C 19.099 0.150 . 89 110 10 ALA N N 124.436 0.150 . 90 111 11 VAL H H 7.948 0.015 . 91 111 11 VAL HA H 4.070 0.015 . 92 111 11 VAL HB H 2.062 0.015 . 93 111 11 VAL HG1 H 0.935 0.015 . 94 111 11 VAL HG2 H 0.935 0.015 . 95 111 11 VAL C C 175.989 0.150 . 96 111 11 VAL CA C 62.262 0.150 . 97 111 11 VAL CB C 32.891 0.150 . 98 111 11 VAL CG1 C 20.883 0.150 . 99 111 11 VAL N N 119.035 0.150 . 100 112 12 ALA H H 8.335 0.015 . 101 112 12 ALA HA H 4.333 0.015 . 102 112 12 ALA HB H 1.391 0.015 . 103 112 12 ALA C C 177.724 0.150 . 104 112 12 ALA CA C 52.485 0.150 . 105 112 12 ALA CB C 19.188 0.150 . 106 112 12 ALA N N 127.456 0.150 . 107 113 13 MET H H 8.345 0.015 . 108 113 13 MET HA H 4.473 0.015 . 109 113 13 MET HB2 H 2.024 0.015 . 110 113 13 MET HB3 H 2.115 0.015 . 111 113 13 MET HG2 H 2.645 0.015 . 112 113 13 MET HG3 H 2.565 0.015 . 113 113 13 MET HE H 2.108 0.015 . 114 113 13 MET C C 176.856 0.150 . 115 113 13 MET CA C 55.692 0.150 . 116 113 13 MET CB C 32.968 0.150 . 117 113 13 MET CG C 32.010 0.150 . 118 113 13 MET CE C 16.992 0.150 . 119 113 13 MET N N 119.855 0.150 . 120 114 14 GLY H H 8.339 0.015 . 121 114 14 GLY HA2 H 3.977 0.015 . 122 114 14 GLY HA3 H 3.977 0.015 . 123 114 14 GLY C C 173.880 0.150 . 124 114 14 GLY CA C 45.384 0.150 . 125 114 14 GLY N N 109.864 0.150 . 126 115 15 ASP H H 8.263 0.015 . 127 115 15 ASP HA H 4.666 0.015 . 128 115 15 ASP HB2 H 2.697 0.015 . 129 115 15 ASP HB3 H 2.629 0.015 . 130 115 15 ASP C C 176.457 0.150 . 131 115 15 ASP CA C 54.401 0.150 . 132 115 15 ASP CB C 41.280 0.150 . 133 115 15 ASP N N 120.600 0.150 . 134 116 16 THR H H 8.111 0.015 . 135 116 16 THR HA H 4.324 0.015 . 136 116 16 THR HB H 4.160 0.015 . 137 116 16 THR HG2 H 1.184 0.015 . 138 116 16 THR C C 174.297 0.150 . 139 116 16 THR CA C 62.026 0.150 . 140 116 16 THR CB C 69.954 0.150 . 141 116 16 THR CG2 C 21.587 0.150 . 142 116 16 THR N N 114.792 0.150 . 143 117 17 VAL H H 8.216 0.015 . 144 117 17 VAL HA H 4.123 0.015 . 145 117 17 VAL HB H 2.048 0.015 . 146 117 17 VAL HG1 H 0.910 0.015 . 147 117 17 VAL HG2 H 0.910 0.015 . 148 117 17 VAL C C 175.857 0.150 . 149 117 17 VAL CA C 62.369 0.150 . 150 117 17 VAL CB C 32.738 0.150 . 151 117 17 VAL CG1 C 20.940 0.150 . 152 117 17 VAL N N 123.914 0.150 . 153 118 18 VAL H H 8.254 0.015 . 154 118 18 VAL HA H 4.118 0.015 . 155 118 18 VAL HB H 2.010 0.015 . 156 118 18 VAL HG1 H 0.904 0.015 . 157 118 18 VAL HG2 H 0.904 0.015 . 158 118 18 VAL C C 175.740 0.150 . 159 118 18 VAL CA C 61.979 0.150 . 160 118 18 VAL CB C 32.836 0.150 . 161 118 18 VAL CG1 C 20.818 0.150 . 162 118 18 VAL N N 125.126 0.150 . 163 119 19 GLU H H 8.463 0.015 . 164 119 19 GLU HA H 4.575 0.015 . 165 119 19 GLU HB2 H 2.001 0.015 . 166 119 19 GLU HB3 H 1.877 0.015 . 167 119 19 GLU HG2 H 2.266 0.015 . 168 119 19 GLU HG3 H 2.266 0.015 . 169 119 19 GLU C C 174.275 0.150 . 170 119 19 GLU CA C 54.188 0.150 . 171 119 19 GLU CB C 29.932 0.150 . 172 119 19 GLU CG C 36.220 0.150 . 173 119 19 GLU N N 126.870 0.150 . 174 120 20 PRO HA H 4.712 0.015 . 175 120 20 PRO HB2 H 2.073 0.015 . 176 120 20 PRO HB3 H 2.370 0.015 . 177 120 20 PRO HG2 H 1.951 0.015 . 178 120 20 PRO HG3 H 1.921 0.015 . 179 120 20 PRO HD2 H 3.628 0.015 . 180 120 20 PRO HD3 H 3.806 0.015 . 181 120 20 PRO C C 175.506 0.150 . 182 120 20 PRO CA C 62.444 0.150 . 183 120 20 PRO CB C 34.076 0.150 . 184 120 20 PRO CG C 24.864 0.150 . 185 120 20 PRO CD C 50.388 0.150 . 186 121 21 ALA H H 8.496 0.015 . 187 121 21 ALA HA H 4.503 0.015 . 188 121 21 ALA HB H 1.375 0.015 . 189 121 21 ALA C C 175.868 0.150 . 190 121 21 ALA CA C 50.626 0.150 . 191 121 21 ALA CB C 18.059 0.150 . 192 121 21 ALA N N 126.115 0.150 . 193 122 22 PRO HA H 4.405 0.015 . 194 122 22 PRO HB2 H 1.871 0.015 . 195 122 22 PRO HB3 H 2.274 0.015 . 196 122 22 PRO HG2 H 2.016 0.015 . 197 122 22 PRO HG3 H 2.016 0.015 . 198 122 22 PRO C C 176.805 0.150 . 199 122 22 PRO CA C 62.852 0.150 . 200 122 22 PRO CB C 32.048 0.150 . 201 122 22 PRO CG C 27.392 0.150 . 202 122 22 PRO CD C 50.452 0.150 . 203 123 23 LEU H H 8.296 0.015 . 204 123 23 LEU HA H 4.295 0.015 . 205 123 23 LEU HB2 H 1.625 0.015 . 206 123 23 LEU HB3 H 1.546 0.015 . 207 123 23 LEU HG H 1.637 0.015 . 208 123 23 LEU HD1 H 0.927 0.015 . 209 123 23 LEU HD2 H 0.884 0.015 . 210 123 23 LEU C C 177.201 0.150 . 211 123 23 LEU CA C 55.146 0.150 . 212 123 23 LEU CB C 42.408 0.150 . 213 123 23 LEU CG C 27.007 0.150 . 214 123 23 LEU CD1 C 24.765 0.150 . 215 123 23 LEU CD2 C 23.652 0.150 . 216 123 23 LEU N N 122.578 0.150 . 217 124 24 LYS H H 8.274 0.015 . 218 124 24 LYS HA H 4.639 0.015 . 219 124 24 LYS HB2 H 1.819 0.015 . 220 124 24 LYS HB3 H 1.725 0.015 . 221 124 24 LYS HG2 H 1.459 0.015 . 222 124 24 LYS HG3 H 1.459 0.015 . 223 124 24 LYS HD2 H 1.696 0.015 . 224 124 24 LYS HD3 H 1.696 0.015 . 225 124 24 LYS HE2 H 3.007 0.015 . 226 124 24 LYS HE3 H 3.007 0.015 . 227 124 24 LYS C C 174.458 0.150 . 228 124 24 LYS CA C 53.961 0.150 . 229 124 24 LYS CB C 32.711 0.150 . 230 124 24 LYS CG C 24.604 0.150 . 231 124 24 LYS CD C 29.205 0.150 . 232 124 24 LYS CE C 42.191 0.150 . 233 124 24 LYS N N 123.525 0.150 . 234 125 25 PRO HA H 4.877 0.015 . 235 125 25 PRO HB2 H 2.413 0.015 . 236 125 25 PRO HB3 H 2.182 0.015 . 237 125 25 PRO HG2 H 1.960 0.015 . 238 125 25 PRO HG3 H 1.866 0.015 . 239 125 25 PRO HD2 H 3.584 0.015 . 240 125 25 PRO HD3 H 3.502 0.015 . 241 125 25 PRO C C 176.832 0.150 . 242 125 25 PRO CA C 62.486 0.150 . 243 125 25 PRO CB C 34.380 0.150 . 244 125 25 PRO CG C 24.705 0.150 . 245 125 25 PRO CD C 50.175 0.150 . 246 126 26 THR H H 8.512 0.015 . 247 126 26 THR HA H 4.357 0.015 . 248 126 26 THR HB H 4.274 0.015 . 249 126 26 THR HG2 H 1.243 0.015 . 250 126 26 THR C C 174.592 0.150 . 251 126 26 THR CA C 62.543 0.150 . 252 126 26 THR CB C 69.769 0.150 . 253 126 26 THR CG2 C 21.487 0.150 . 254 126 26 THR N N 115.585 0.150 . 255 127 27 SER H H 8.263 0.015 . 256 127 27 SER HA H 4.501 0.015 . 257 127 27 SER HB2 H 3.853 0.015 . 258 127 27 SER HB3 H 3.853 0.015 . 259 127 27 SER C C 174.002 0.150 . 260 127 27 SER CA C 58.075 0.150 . 261 127 27 SER CB C 64.045 0.150 . 262 127 27 SER N N 117.727 0.150 . 263 128 28 GLU H H 8.390 0.015 . 264 128 28 GLU HA H 4.625 0.015 . 265 128 28 GLU HB2 H 2.046 0.015 . 266 128 28 GLU HB3 H 1.884 0.015 . 267 128 28 GLU HG2 H 2.282 0.015 . 268 128 28 GLU HG3 H 2.282 0.015 . 269 128 28 GLU C C 174.713 0.150 . 270 128 28 GLU CA C 54.508 0.150 . 271 128 28 GLU CB C 29.867 0.150 . 272 128 28 GLU N N 123.954 0.150 . 273 129 29 PRO HA H 4.505 0.015 . 274 129 29 PRO HB2 H 2.320 0.015 . 275 129 29 PRO HB3 H 1.960 0.015 . 276 129 29 PRO HG2 H 2.033 0.015 . 277 129 29 PRO HG3 H 2.033 0.015 . 278 129 29 PRO HD2 H 3.663 0.015 . 279 129 29 PRO HD3 H 3.818 0.015 . 280 129 29 PRO C C 177.233 0.150 . 281 129 29 PRO CA C 63.186 0.150 . 282 129 29 PRO CB C 32.101 0.150 . 283 129 29 PRO CG C 27.343 0.150 . 284 129 29 PRO CD C 50.704 0.150 . 285 130 30 THR H H 8.283 0.015 . 286 130 30 THR HA H 4.376 0.015 . 287 130 30 THR HB H 4.274 0.015 . 288 130 30 THR HG2 H 1.238 0.015 . 289 130 30 THR C C 174.670 0.150 . 290 130 30 THR CA C 61.787 0.150 . 291 130 30 THR CB C 69.907 0.150 . 292 130 30 THR CG2 C 21.487 0.150 . 293 130 30 THR N N 114.230 0.150 . 294 131 31 SER H H 8.286 0.015 . 295 131 31 SER HA H 4.535 0.015 . 296 131 31 SER HB2 H 3.889 0.015 . 297 131 31 SER HB3 H 3.889 0.015 . 298 131 31 SER C C 174.495 0.150 . 299 131 31 SER CA C 58.206 0.150 . 300 131 31 SER CB C 64.118 0.150 . 301 131 31 SER N N 117.731 0.150 . 302 132 32 GLY H H 8.219 0.015 . 303 132 32 GLY HA2 H 4.159 0.015 . 304 132 32 GLY HA3 H 4.056 0.015 . 305 132 32 GLY C C 180.092 0.150 . 306 132 32 GLY CA C 44.559 0.150 . 307 132 32 GLY N N 110.642 0.150 . 308 133 33 PRO HA H 4.707 0.015 . 309 133 33 PRO HB2 H 2.337 0.015 . 310 133 33 PRO HB3 H 1.931 0.015 . 311 133 33 PRO HG2 H 2.035 0.015 . 312 133 33 PRO HG3 H 2.035 0.015 . 313 133 33 PRO HD2 H 3.643 0.015 . 314 133 33 PRO HD3 H 3.597 0.015 . 315 133 33 PRO CA C 61.509 0.150 . 316 133 33 PRO CB C 30.948 0.150 . 317 133 33 PRO CG C 27.295 0.150 . 318 133 33 PRO CD C 49.748 0.150 . 319 134 34 PRO HA H 4.446 0.015 . 320 134 34 PRO HB2 H 2.301 0.015 . 321 134 34 PRO HB3 H 1.957 0.015 . 322 134 34 PRO HG2 H 2.051 0.015 . 323 134 34 PRO HG3 H 2.051 0.015 . 324 134 34 PRO HD2 H 3.818 0.015 . 325 134 34 PRO HD3 H 3.669 0.015 . 326 134 34 PRO C C 177.673 0.150 . 327 134 34 PRO CA C 63.289 0.150 . 328 134 34 PRO CB C 31.964 0.150 . 329 134 34 PRO CG C 27.309 0.150 . 330 134 34 PRO CD C 50.422 0.150 . 331 135 35 GLY H H 8.448 0.015 . 332 135 35 GLY HA2 H 3.951 0.015 . 333 135 35 GLY HA3 H 3.951 0.015 . 334 135 35 GLY C C 174.077 0.150 . 335 135 35 GLY CA C 45.285 0.150 . 336 135 35 GLY N N 108.820 0.150 . 337 136 36 ASN H H 8.315 0.015 . 338 136 36 ASN HA H 4.726 0.015 . 339 136 36 ASN HB2 H 2.763 0.015 . 340 136 36 ASN HB3 H 2.840 0.015 . 341 136 36 ASN C C 175.250 0.150 . 342 136 36 ASN CA C 53.263 0.150 . 343 136 36 ASN CB C 38.958 0.150 . 344 136 36 ASN N N 118.550 0.150 . 345 137 37 ASN H H 8.539 0.015 . 346 137 37 ASN HA H 4.733 0.015 . 347 137 37 ASN HB2 H 2.793 0.015 . 348 137 37 ASN HB3 H 2.869 0.015 . 349 137 37 ASN HD21 H 7.593 0.015 . 350 137 37 ASN HD22 H 6.915 0.015 . 351 137 37 ASN C C 175.858 0.150 . 352 137 37 ASN CA C 53.468 0.150 . 353 137 37 ASN CB C 38.870 0.150 . 354 137 37 ASN N N 119.364 0.150 . 355 137 37 ASN ND2 N 112.911 0.150 . 356 138 38 GLY H H 8.447 0.015 . 357 138 38 GLY HA2 H 3.970 0.015 . 358 138 38 GLY HA3 H 3.970 0.015 . 359 138 38 GLY C C 174.865 0.150 . 360 138 38 GLY CA C 45.721 0.150 . 361 138 38 GLY N N 109.173 0.150 . 362 139 39 GLY H H 8.252 0.015 . 363 139 39 GLY HA2 H 3.989 0.015 . 364 139 39 GLY HA3 H 3.989 0.015 . 365 139 39 GLY C C 174.327 0.150 . 366 139 39 GLY CA C 45.329 0.150 . 367 139 39 GLY N N 108.709 0.150 . 368 140 40 SER H H 8.193 0.015 . 369 140 40 SER HA H 4.472 0.015 . 370 140 40 SER HB2 H 3.869 0.015 . 371 140 40 SER HB3 H 3.869 0.015 . 372 140 40 SER C C 174.704 0.150 . 373 140 40 SER CA C 58.406 0.150 . 374 140 40 SER CB C 63.959 0.150 . 375 140 40 SER N N 115.565 0.150 . 376 141 41 LEU H H 8.333 0.015 . 377 141 41 LEU HA H 4.351 0.015 . 378 141 41 LEU HB2 H 1.624 0.015 . 379 141 41 LEU HB3 H 1.624 0.015 . 380 141 41 LEU HG H 1.620 0.015 . 381 141 41 LEU HD1 H 0.918 0.015 . 382 141 41 LEU HD2 H 0.863 0.015 . 383 141 41 LEU C C 177.308 0.150 . 384 141 41 LEU CA C 55.478 0.150 . 385 141 41 LEU CB C 42.194 0.150 . 386 141 41 LEU CG C 27.044 0.150 . 387 141 41 LEU CD1 C 24.738 0.150 . 388 141 41 LEU CD2 C 23.541 0.150 . 389 141 41 LEU N N 124.120 0.150 . 390 142 42 LEU H H 8.136 0.015 . 391 142 42 LEU HA H 4.351 0.015 . 392 142 42 LEU HB2 H 1.613 0.015 . 393 142 42 LEU HB3 H 1.613 0.015 . 394 142 42 LEU HG H 1.636 0.015 . 395 142 42 LEU HD1 H 0.920 0.015 . 396 142 42 LEU HD2 H 0.862 0.015 . 397 142 42 LEU C C 177.361 0.150 . 398 142 42 LEU CA C 55.335 0.150 . 399 142 42 LEU CB C 42.319 0.150 . 400 142 42 LEU CG C 27.026 0.150 . 401 142 42 LEU CD1 C 24.734 0.150 . 402 142 42 LEU CD2 C 23.537 0.150 . 403 142 42 LEU N N 122.065 0.150 . 404 143 43 SER H H 8.179 0.015 . 405 143 43 SER HA H 4.464 0.015 . 406 143 43 SER HB2 H 3.842 0.015 . 407 143 43 SER HB3 H 3.842 0.015 . 408 143 43 SER C C 174.354 0.150 . 409 143 43 SER CA C 58.424 0.150 . 410 143 43 SER CB C 63.751 0.150 . 411 143 43 SER N N 116.475 0.150 . 412 144 44 VAL H H 8.030 0.015 . 413 144 44 VAL HA H 4.151 0.015 . 414 144 44 VAL HB H 2.092 0.015 . 415 144 44 VAL HG1 H 0.917 0.015 . 416 144 44 VAL HG2 H 0.917 0.015 . 417 144 44 VAL C C 176.114 0.150 . 418 144 44 VAL CA C 62.319 0.150 . 419 144 44 VAL CB C 32.770 0.150 . 420 144 44 VAL CG1 C 21.096 0.150 . 421 144 44 VAL CG2 C 20.705 0.150 . 422 144 44 VAL N N 121.509 0.150 . 423 145 45 ILE H H 8.219 0.015 . 424 145 45 ILE HA H 4.239 0.015 . 425 145 45 ILE HB H 1.885 0.015 . 426 145 45 ILE HG12 H 1.489 0.015 . 427 145 45 ILE HG13 H 1.203 0.015 . 428 145 45 ILE HG2 H 0.903 0.015 . 429 145 45 ILE HD1 H 0.848 0.015 . 430 145 45 ILE C C 176.469 0.150 . 431 145 45 ILE CA C 61.180 0.150 . 432 145 45 ILE CB C 38.536 0.150 . 433 145 45 ILE CG1 C 27.375 0.150 . 434 145 45 ILE CG2 C 17.618 0.150 . 435 145 45 ILE CD1 C 12.830 0.150 . 436 145 45 ILE N N 124.362 0.150 . 437 146 46 THR H H 8.222 0.015 . 438 146 46 THR HA H 4.351 0.015 . 439 146 46 THR HB H 4.202 0.015 . 440 146 46 THR HG2 H 1.188 0.015 . 441 146 46 THR C C 174.437 0.150 . 442 146 46 THR CA C 61.822 0.150 . 443 146 46 THR CB C 69.818 0.150 . 444 146 46 THR CG2 C 21.585 0.150 . 445 146 46 THR N N 118.503 0.150 . 446 147 47 GLU H H 8.383 0.015 . 447 147 47 GLU HA H 4.317 0.015 . 448 147 47 GLU HB2 H 2.066 0.015 . 449 147 47 GLU HB3 H 1.969 0.015 . 450 147 47 GLU HG2 H 2.269 0.015 . 451 147 47 GLU HG3 H 2.269 0.015 . 452 147 47 GLU C C 176.830 0.150 . 453 147 47 GLU CA C 56.859 0.150 . 454 147 47 GLU CB C 30.408 0.150 . 455 147 47 GLU CG C 36.256 0.150 . 456 147 47 GLU N N 123.636 0.150 . 457 148 48 GLY H H 8.458 0.015 . 458 148 48 GLY HA2 H 3.979 0.015 . 459 148 48 GLY HA3 H 3.979 0.015 . 460 148 48 GLY C C 174.220 0.150 . 461 148 48 GLY CA C 45.417 0.150 . 462 148 48 GLY N N 110.238 0.150 . 463 149 49 VAL H H 8.001 0.015 . 464 149 49 VAL HA H 4.172 0.015 . 465 149 49 VAL HB H 2.132 0.015 . 466 149 49 VAL HG1 H 0.936 0.015 . 467 149 49 VAL HG2 H 0.934 0.015 . 468 149 49 VAL C C 176.771 0.150 . 469 149 49 VAL CA C 62.413 0.150 . 470 149 49 VAL CB C 32.679 0.150 . 471 149 49 VAL CG1 C 21.159 0.150 . 472 149 49 VAL CG2 C 20.388 0.150 . 473 149 49 VAL N N 118.715 0.150 . 474 150 50 GLY H H 8.482 0.015 . 475 150 50 GLY HA2 H 3.962 0.015 . 476 150 50 GLY HA3 H 3.962 0.015 . 477 150 50 GLY C C 174.140 0.150 . 478 150 50 GLY CA C 45.284 0.150 . 479 150 50 GLY N N 112.192 0.150 . 480 151 51 GLU H H 8.334 0.015 . 481 151 51 GLU HA H 4.289 0.015 . 482 151 51 GLU HB2 H 2.046 0.015 . 483 151 51 GLU HB3 H 1.936 0.015 . 484 151 51 GLU HG2 H 2.261 0.015 . 485 151 51 GLU HG3 H 2.261 0.015 . 486 151 51 GLU C C 176.583 0.150 . 487 151 51 GLU CA C 56.682 0.150 . 488 151 51 GLU CB C 30.335 0.150 . 489 151 51 GLU CG C 36.249 0.150 . 490 151 51 GLU N N 120.887 0.150 . 491 152 52 LEU H H 8.275 0.015 . 492 152 52 LEU HA H 4.392 0.015 . 493 152 52 LEU HB2 H 1.608 0.015 . 494 152 52 LEU HB3 H 1.669 0.015 . 495 152 52 LEU HG H 1.636 0.015 . 496 152 52 LEU HD1 H 0.932 0.015 . 497 152 52 LEU HD2 H 0.870 0.015 . 498 152 52 LEU C C 177.319 0.150 . 499 152 52 LEU CA C 55.258 0.150 . 500 152 52 LEU CB C 42.403 0.150 . 501 152 52 LEU CG C 27.015 0.150 . 502 152 52 LEU CD1 C 24.840 0.150 . 503 152 52 LEU CD2 C 23.575 0.150 . 504 152 52 LEU N N 122.465 0.150 . 505 153 53 SER H H 8.278 0.015 . 506 153 53 SER HA H 4.505 0.015 . 507 153 53 SER HB2 H 3.876 0.015 . 508 153 53 SER HB3 H 3.876 0.015 . 509 153 53 SER C C 174.689 0.150 . 510 153 53 SER CA C 58.441 0.150 . 511 153 53 SER CB C 63.758 0.150 . 512 153 53 SER N N 116.221 0.150 . 513 154 54 VAL H H 8.112 0.015 . 514 154 54 VAL HA H 4.157 0.015 . 515 154 54 VAL HB H 2.141 0.015 . 516 154 54 VAL HG1 H 0.921 0.015 . 517 154 54 VAL HG2 H 0.921 0.015 . 518 154 54 VAL C C 175.965 0.150 . 519 154 54 VAL CA C 62.857 0.150 . 520 154 54 VAL CB C 32.656 0.150 . 521 154 54 VAL CG1 C 21.396 0.150 . 522 154 54 VAL CG2 C 20.564 0.150 . 523 154 54 VAL N N 120.008 0.150 . 524 155 55 ILE H H 7.714 0.015 . 525 155 55 ILE HA H 4.616 0.015 . 526 155 55 ILE HB H 1.597 0.015 . 527 155 55 ILE HG12 H 1.180 0.015 . 528 155 55 ILE HG13 H 0.971 0.015 . 529 155 55 ILE HG2 H 0.716 0.015 . 530 155 55 ILE HD1 H 0.592 0.015 . 531 155 55 ILE C C 174.463 0.150 . 532 155 55 ILE CA C 58.594 0.150 . 533 155 55 ILE CB C 42.045 0.150 . 534 155 55 ILE CG1 C 25.656 0.150 . 535 155 55 ILE CG2 C 19.943 0.150 . 536 155 55 ILE CD1 C 13.927 0.150 . 537 155 55 ILE N N 113.532 0.150 . 538 156 56 ASP H H 8.279 0.015 . 539 156 56 ASP HA H 5.180 0.015 . 540 156 56 ASP HB2 H 2.989 0.015 . 541 156 56 ASP HB3 H 2.564 0.015 . 542 156 56 ASP CA C 50.735 0.150 . 543 156 56 ASP CB C 41.858 0.150 . 544 156 56 ASP N N 122.326 0.150 . 545 157 57 PRO HA H 4.266 0.015 . 546 157 57 PRO HB2 H 2.343 0.015 . 547 157 57 PRO HB3 H 2.090 0.015 . 548 157 57 PRO HG2 H 2.203 0.015 . 549 157 57 PRO HG3 H 2.028 0.015 . 550 157 57 PRO HD2 H 4.004 0.015 . 551 157 57 PRO HD3 H 4.271 0.015 . 552 157 57 PRO C C 179.313 0.150 . 553 157 57 PRO CA C 64.869 0.150 . 554 157 57 PRO CB C 32.304 0.150 . 555 157 57 PRO CG C 27.401 0.150 . 556 157 57 PRO CD C 51.323 0.150 . 557 158 58 GLU H H 8.075 0.015 . 558 158 58 GLU HA H 4.210 0.015 . 559 158 58 GLU HB2 H 2.132 0.015 . 560 158 58 GLU HB3 H 2.038 0.015 . 561 158 58 GLU HG2 H 2.363 0.015 . 562 158 58 GLU HG3 H 2.244 0.015 . 563 158 58 GLU C C 179.771 0.150 . 564 158 58 GLU CA C 59.564 0.150 . 565 158 58 GLU CB C 29.376 0.150 . 566 158 58 GLU CG C 36.661 0.150 . 567 158 58 GLU N N 120.031 0.150 . 568 159 59 VAL H H 7.852 0.015 . 569 159 59 VAL HA H 3.673 0.015 . 570 159 59 VAL HB H 2.102 0.015 . 571 159 59 VAL HG1 H 0.797 0.015 . 572 159 59 VAL HG2 H 0.993 0.015 . 573 159 59 VAL C C 178.802 0.150 . 574 159 59 VAL CA C 66.218 0.150 . 575 159 59 VAL CB C 31.924 0.150 . 576 159 59 VAL CG1 C 22.709 0.150 . 577 159 59 VAL CG2 C 23.004 0.150 . 578 159 59 VAL N N 122.470 0.150 . 579 160 60 ALA H H 8.833 0.015 . 580 160 60 ALA HA H 4.180 0.015 . 581 160 60 ALA HB H 1.434 0.015 . 582 160 60 ALA C C 180.788 0.150 . 583 160 60 ALA CA C 56.681 0.150 . 584 160 60 ALA CB C 19.098 0.150 . 585 160 60 ALA N N 120.796 0.150 . 586 161 61 GLN H H 8.342 0.015 . 587 161 61 GLN HA H 4.179 0.015 . 588 161 61 GLN HB2 H 2.248 0.015 . 589 161 61 GLN HB3 H 2.248 0.015 . 590 161 61 GLN HG2 H 2.524 0.015 . 591 161 61 GLN HG3 H 2.524 0.015 . 592 161 61 GLN C C 178.346 0.150 . 593 161 61 GLN CA C 58.927 0.150 . 594 161 61 GLN CB C 27.878 0.150 . 595 161 61 GLN CG C 33.557 0.150 . 596 161 61 GLN N N 121.157 0.150 . 597 162 62 LYS H H 8.144 0.015 . 598 162 62 LYS HA H 4.161 0.015 . 599 162 62 LYS HB2 H 2.010 0.015 . 600 162 62 LYS HB3 H 2.010 0.015 . 601 162 62 LYS HG2 H 1.602 0.015 . 602 162 62 LYS HG3 H 1.511 0.015 . 603 162 62 LYS HD2 H 1.679 0.015 . 604 162 62 LYS HD3 H 1.679 0.015 . 605 162 62 LYS HE2 H 2.990 0.015 . 606 162 62 LYS HE3 H 2.990 0.015 . 607 162 62 LYS C C 179.270 0.150 . 608 162 62 LYS CA C 59.552 0.150 . 609 162 62 LYS CB C 32.429 0.150 . 610 162 62 LYS CG C 25.183 0.150 . 611 162 62 LYS CD C 29.268 0.150 . 612 162 62 LYS CE C 42.166 0.150 . 613 162 62 LYS N N 122.816 0.150 . 614 163 63 ALA H H 8.830 0.015 . 615 163 63 ALA HA H 4.423 0.015 . 616 163 63 ALA HB H 1.551 0.015 . 617 163 63 ALA C C 178.717 0.150 . 618 163 63 ALA CA C 54.552 0.150 . 619 163 63 ALA CB C 17.941 0.150 . 620 163 63 ALA N N 119.330 0.150 . 621 164 64 CYS H H 8.043 0.015 . 622 164 64 CYS HA H 3.773 0.015 . 623 164 64 CYS HB2 H 2.315 0.015 . 624 164 64 CYS HB3 H 3.298 0.015 . 625 164 64 CYS C C 175.008 0.150 . 626 164 64 CYS CA C 62.463 0.150 . 627 164 64 CYS CB C 25.661 0.150 . 628 164 64 CYS N N 119.513 0.150 . 629 165 65 GLN H H 7.901 0.015 . 630 165 65 GLN HA H 4.014 0.015 . 631 165 65 GLN HB2 H 2.289 0.015 . 632 165 65 GLN HB3 H 2.289 0.015 . 633 165 65 GLN HG2 H 2.539 0.015 . 634 165 65 GLN HG3 H 2.476 0.015 . 635 165 65 GLN C C 178.682 0.150 . 636 165 65 GLN CA C 59.058 0.150 . 637 165 65 GLN CB C 27.918 0.150 . 638 165 65 GLN CG C 33.651 0.150 . 639 165 65 GLN N N 117.917 0.150 . 640 166 66 GLU H H 8.112 0.015 . 641 166 66 GLU HA H 4.083 0.015 . 642 166 66 GLU HB2 H 2.013 0.015 . 643 166 66 GLU HB3 H 2.290 0.015 . 644 166 66 GLU HG2 H 2.413 0.015 . 645 166 66 GLU HG3 H 2.413 0.015 . 646 166 66 GLU C C 179.496 0.150 . 647 166 66 GLU CA C 59.604 0.150 . 648 166 66 GLU CB C 29.644 0.150 . 649 166 66 GLU CG C 36.181 0.150 . 650 166 66 GLU N N 118.189 0.150 . 651 167 67 VAL H H 8.034 0.015 . 652 167 67 VAL HA H 3.694 0.015 . 653 167 67 VAL HB H 2.404 0.015 . 654 167 67 VAL HG1 H 0.986 0.015 . 655 167 67 VAL HG2 H 1.211 0.015 . 656 167 67 VAL C C 178.102 0.150 . 657 167 67 VAL CA C 66.710 0.150 . 658 167 67 VAL CB C 31.932 0.150 . 659 167 67 VAL CG1 C 21.199 0.150 . 660 167 67 VAL CG2 C 23.162 0.150 . 661 167 67 VAL N N 119.109 0.150 . 662 168 68 LEU H H 8.130 0.015 . 663 168 68 LEU HA H 3.851 0.015 . 664 168 68 LEU HB2 H 1.889 0.015 . 665 168 68 LEU HB3 H 1.240 0.015 . 666 168 68 LEU HG H 1.797 0.015 . 667 168 68 LEU HD1 H 0.849 0.015 . 668 168 68 LEU HD2 H 0.502 0.015 . 669 168 68 LEU C C 176.911 0.150 . 670 168 68 LEU CA C 57.652 0.150 . 671 168 68 LEU CB C 41.583 0.150 . 672 168 68 LEU CG C 27.191 0.150 . 673 168 68 LEU CD1 C 26.145 0.150 . 674 168 68 LEU CD2 C 22.778 0.150 . 675 168 68 LEU N N 118.941 0.150 . 676 169 69 GLU H H 8.234 0.015 . 677 169 69 GLU HA H 3.982 0.015 . 678 169 69 GLU HB2 H 2.133 0.015 . 679 169 69 GLU HB3 H 2.054 0.015 . 680 169 69 GLU HG2 H 2.414 0.015 . 681 169 69 GLU HG3 H 2.319 0.015 . 682 169 69 GLU C C 179.081 0.150 . 683 169 69 GLU CA C 59.148 0.150 . 684 169 69 GLU CB C 29.437 0.150 . 685 169 69 GLU CG C 36.363 0.150 . 686 169 69 GLU N N 118.285 0.150 . 687 170 70 LYS H H 7.723 0.015 . 688 170 70 LYS HA H 4.085 0.015 . 689 170 70 LYS HB2 H 1.928 0.015 . 690 170 70 LYS HB3 H 1.928 0.015 . 691 170 70 LYS HG2 H 1.608 0.015 . 692 170 70 LYS HG3 H 1.464 0.015 . 693 170 70 LYS HD2 H 1.673 0.015 . 694 170 70 LYS HD3 H 1.673 0.015 . 695 170 70 LYS HE2 H 2.322 0.015 . 696 170 70 LYS HE3 H 2.322 0.015 . 697 170 70 LYS C C 179.435 0.150 . 698 170 70 LYS CA C 59.159 0.150 . 699 170 70 LYS CB C 32.394 0.150 . 700 170 70 LYS CG C 25.265 0.150 . 701 170 70 LYS CD C 29.252 0.150 . 702 170 70 LYS CE C 45.309 0.150 . 703 170 70 LYS N N 118.252 0.150 . 704 171 71 VAL H H 8.027 0.015 . 705 171 71 VAL HA H 3.934 0.015 . 706 171 71 VAL HB H 2.080 0.015 . 707 171 71 VAL HG1 H 0.916 0.015 . 708 171 71 VAL HG2 H 0.916 0.015 . 709 171 71 VAL C C 177.792 0.150 . 710 171 71 VAL CA C 65.050 0.150 . 711 171 71 VAL CB C 31.181 0.150 . 712 171 71 VAL CG1 C 21.643 0.150 . 713 171 71 VAL CG2 C 21.203 0.150 . 714 171 71 VAL N N 117.756 0.150 . 715 172 72 LYS H H 7.853 0.015 . 716 172 72 LYS HA H 4.166 0.015 . 717 172 72 LYS HB2 H 1.847 0.015 . 718 172 72 LYS HB3 H 1.847 0.015 . 719 172 72 LYS HG2 H 1.542 0.015 . 720 172 72 LYS HG3 H 1.447 0.015 . 721 172 72 LYS HD2 H 1.681 0.015 . 722 172 72 LYS HD3 H 1.681 0.015 . 723 172 72 LYS HE2 H 2.790 0.015 . 724 172 72 LYS HE3 H 2.955 0.015 . 725 172 72 LYS C C 178.995 0.150 . 726 172 72 LYS CA C 59.173 0.150 . 727 172 72 LYS CB C 32.713 0.150 . 728 172 72 LYS CG C 25.943 0.150 . 729 172 72 LYS CD C 29.405 0.150 . 730 172 72 LYS CE C 42.282 0.150 . 731 172 72 LYS N N 121.728 0.150 . 732 173 73 LEU H H 7.611 0.015 . 733 173 73 LEU HA H 4.196 0.015 . 734 173 73 LEU HB2 H 1.799 0.015 . 735 173 73 LEU HB3 H 1.627 0.015 . 736 173 73 LEU HG H 1.743 0.015 . 737 173 73 LEU HD1 H 0.925 0.015 . 738 173 73 LEU HD2 H 0.880 0.015 . 739 173 73 LEU C C 178.778 0.150 . 740 173 73 LEU CA C 56.652 0.150 . 741 173 73 LEU CB C 42.020 0.150 . 742 173 73 LEU CG C 26.892 0.150 . 743 173 73 LEU CD1 C 24.905 0.150 . 744 173 73 LEU CD2 C 23.367 0.150 . 745 173 73 LEU N N 119.507 0.150 . 746 174 74 LEU H H 7.717 0.015 . 747 174 74 LEU HA H 4.252 0.015 . 748 174 74 LEU HB2 H 1.512 0.015 . 749 174 74 LEU HB3 H 1.694 0.015 . 750 174 74 LEU HG H 1.624 0.015 . 751 174 74 LEU HD1 H 0.886 0.015 . 752 174 74 LEU HD2 H 0.831 0.015 . 753 174 74 LEU C C 178.319 0.150 . 754 174 74 LEU CA C 56.212 0.150 . 755 174 74 LEU CB C 42.218 0.150 . 756 174 74 LEU CG C 26.767 0.150 . 757 174 74 LEU CD1 C 24.660 0.150 . 758 174 74 LEU CD2 C 23.515 0.150 . 759 174 74 LEU N N 119.951 0.150 . 760 175 75 HIS H H 8.175 0.015 . 761 175 75 HIS HA H 4.670 0.015 . 762 175 75 HIS HB2 H 3.161 0.015 . 763 175 75 HIS HB3 H 3.298 0.015 . 764 175 75 HIS HD2 H 7.169 0.015 . 765 175 75 HIS HE1 H 8.136 0.015 . 766 175 75 HIS C C 175.935 0.150 . 767 175 75 HIS CA C 56.203 0.150 . 768 175 75 HIS CB C 29.822 0.150 . 769 175 75 HIS CD2 C 119.908 0.150 . 770 175 75 HIS CE1 C 137.095 0.150 . 771 175 75 HIS N N 117.753 0.150 . 772 176 76 GLY H H 8.215 0.015 . 773 176 76 GLY HA2 H 4.023 0.015 . 774 176 76 GLY HA3 H 4.023 0.015 . 775 176 76 GLY C C 174.726 0.150 . 776 176 76 GLY CA C 45.572 0.150 . 777 176 76 GLY N N 108.725 0.150 . 778 177 77 GLY H H 8.208 0.015 . 779 177 77 GLY HA2 H 3.996 0.015 . 780 177 77 GLY HA3 H 3.996 0.015 . 781 177 77 GLY C C 173.796 0.150 . 782 177 77 GLY CA C 45.272 0.150 . 783 177 77 GLY N N 108.627 0.150 . 784 178 78 VAL H H 7.934 0.015 . 785 178 78 VAL HA H 4.165 0.015 . 786 178 78 VAL HB H 2.069 0.015 . 787 178 78 VAL HG1 H 0.929 0.015 . 788 178 78 VAL HG2 H 0.929 0.015 . 789 178 78 VAL C C 175.574 0.150 . 790 178 78 VAL CA C 61.974 0.150 . 791 178 78 VAL CB C 33.061 0.150 . 792 178 78 VAL CG1 C 21.156 0.150 . 793 178 78 VAL CG2 C 20.345 0.150 . 794 178 78 VAL N N 118.775 0.150 . 795 179 79 ALA H H 8.374 0.015 . 796 179 79 ALA HA H 4.408 0.015 . 797 179 79 ALA HB H 1.370 0.015 . 798 179 79 ALA C C 176.610 0.150 . 799 179 79 ALA CA C 52.396 0.150 . 800 179 79 ALA CB C 19.295 0.150 . 801 179 79 ALA N N 128.612 0.150 . 802 180 80 VAL H H 7.678 0.015 . 803 180 80 VAL HA H 4.023 0.015 . 804 180 80 VAL HB H 2.070 0.015 . 805 180 80 VAL HG1 H 0.865 0.015 . 806 180 80 VAL HG2 H 0.865 0.015 . 807 180 80 VAL C C 181.061 0.150 . 808 180 80 VAL CA C 63.508 0.150 . 809 180 80 VAL CB C 33.276 0.150 . 810 180 80 VAL CG1 C 20.920 0.150 . 811 180 80 VAL N N 123.794 0.150 . stop_ save_