data_18349 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of a LINE-1 type transposase domain-containing protein 1 (L1TD1) from HOMO SAPINES ; _BMRB_accession_number 18349 _BMRB_flat_file_name bmr18349.str _Entry_type original _Submission_date 2012-03-26 _Accession_date 2012-03-26 _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 Serrano Pedro . . 2 Geralt Michael . . 3 Mohanty Biswaranjan . . 4 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 510 "13C chemical shifts" 294 "15N chemical shifts" 88 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-07-02 original author . stop_ _Original_release_date 2012-07-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of a LINE-1 type transposase domain-containing protein 1 (L1TD1) from HOMO SAPINES' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Serrano Pedro . . 2 Geralt Michael . . 3 Mohanty Biswaranjan . . 4 Wuthrich Kurt . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name RF2209A _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label L1TD1 $L1TD1 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_L1TD1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common L1TD1 _Molecular_mass 19804.965 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 176 _Mol_residue_sequence ; GVLMDEGAVLTLAADLSSAT LDISKQWSNVFNILRENDFE PKFLCEVKLAFKCDGEIKTF SDLQSLRKFASQKSSMKELL KDVLPQKEGVLMDEGAVLTL AADLSSATLDISKQWSNVFN ILRENDFEPKFLCEVKLAFK CDGEIKTFSDLQSLRKFASQ KSSMKELLKDVLPQKE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 VAL 3 3 LEU 4 4 MET 5 5 ASP 6 6 GLU 7 7 GLY 8 8 ALA 9 9 VAL 10 10 LEU 11 11 THR 12 12 LEU 13 13 ALA 14 14 ALA 15 15 ASP 16 16 LEU 17 17 SER 18 18 SER 19 19 ALA 20 20 THR 21 21 LEU 22 22 ASP 23 23 ILE 24 24 SER 25 25 LYS 26 26 GLN 27 27 TRP 28 28 SER 29 29 ASN 30 30 VAL 31 31 PHE 32 32 ASN 33 33 ILE 34 34 LEU 35 35 ARG 36 36 GLU 37 37 ASN 38 38 ASP 39 39 PHE 40 40 GLU 41 41 PRO 42 42 LYS 43 43 PHE 44 44 LEU 45 45 CYS 46 46 GLU 47 47 VAL 48 48 LYS 49 49 LEU 50 50 ALA 51 51 PHE 52 52 LYS 53 53 CYS 54 54 ASP 55 55 GLY 56 56 GLU 57 57 ILE 58 58 LYS 59 59 THR 60 60 PHE 61 61 SER 62 62 ASP 63 63 LEU 64 64 GLN 65 65 SER 66 66 LEU 67 67 ARG 68 68 LYS 69 69 PHE 70 70 ALA 71 71 SER 72 72 GLN 73 73 LYS 74 74 SER 75 75 SER 76 76 MET 77 77 LYS 78 78 GLU 79 79 LEU 80 80 LEU 81 81 LYS 82 82 ASP 83 83 VAL 84 84 LEU 85 85 PRO 86 86 GLN 87 87 LYS 88 88 GLU 89 89 GLY 90 90 VAL 91 91 LEU 92 92 MET 93 93 ASP 94 94 GLU 95 95 GLY 96 96 ALA 97 97 VAL 98 98 LEU 99 99 THR 100 100 LEU 101 101 ALA 102 102 ALA 103 103 ASP 104 104 LEU 105 105 SER 106 106 SER 107 107 ALA 108 108 THR 109 109 LEU 110 110 ASP 111 111 ILE 112 112 SER 113 113 LYS 114 114 GLN 115 115 TRP 116 116 SER 117 117 ASN 118 118 VAL 119 119 PHE 120 120 ASN 121 121 ILE 122 122 LEU 123 123 ARG 124 124 GLU 125 125 ASN 126 126 ASP 127 127 PHE 128 128 GLU 129 129 PRO 130 130 LYS 131 131 PHE 132 132 LEU 133 133 CYS 134 134 GLU 135 135 VAL 136 136 LYS 137 137 LEU 138 138 ALA 139 139 PHE 140 140 LYS 141 141 CYS 142 142 ASP 143 143 GLY 144 144 GLU 145 145 ILE 146 146 LYS 147 147 THR 148 148 PHE 149 149 SER 150 150 ASP 151 151 LEU 152 152 GLN 153 153 SER 154 154 LEU 155 155 ARG 156 156 LYS 157 157 PHE 158 158 ALA 159 159 SER 160 160 GLN 161 161 LYS 162 162 SER 163 163 SER 164 164 MET 165 165 LYS 166 166 GLU 167 167 LEU 168 168 LEU 169 169 LYS 170 170 ASP 171 171 VAL 172 172 LEU 173 173 PRO 174 174 GLN 175 175 LYS 176 176 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LR6 "Nmr Structure Of A Line-1 Type Transposase Domain-containing Protein 1 (l1td1) From Homo Sapiens" 50.00 88 100.00 100.00 4.33e-53 DBJ BAA91878 "unnamed protein product [Homo sapiens]" 50.57 440 97.75 98.88 4.90e-50 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $L1TD1 Humans 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 $L1TD1 'recombinant technology' . Escherichia coli . pSpeedET 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 $L1TD1 1.2 mM '[U-98% 13C; U-98% 15N]' 'sodium azide' 5 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ 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_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_UNIO _Saveframe_category software _Name UNIO _Version . loop_ _Vendor _Address _Electronic_address 'UNIO Herrmann and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'structure solution' stop_ _Details . save_ save_cara _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_APSY_5D-HACACONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 5D-HACACONH' _Sample_label $sample_1 save_ save_APSY_5D-CBCACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'APSY 5D-CBCACONH' _Sample_label $sample_1 save_ save_ASPY_4D-HACANH_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'ASPY 4D-HACANH' _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' 0.185 . M pH 6.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' 'APSY 5D-HACACONH' 'ASPY 4D-HACANH' 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 L1TD1 _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 3 3 LEU HA H 4.251 0.009 1 2 3 3 LEU HB2 H 1.510 0.009 2 3 3 3 LEU HB3 H 1.510 0.009 2 4 3 3 LEU HD1 H 0.624 0.009 . 5 3 3 LEU HD2 H 0.731 0.009 . 6 3 3 LEU CA C 55.335 0.18 1 7 3 3 LEU CB C 42.301 0.18 1 8 3 3 LEU CD1 C 23.803 0.18 2 9 3 3 LEU CD2 C 25.038 0.18 2 10 4 4 MET H H 8.312 0.009 1 11 4 4 MET HA H 4.422 0.009 1 12 4 4 MET HB2 H 1.923 0.009 2 13 4 4 MET HB3 H 2.049 0.009 2 14 4 4 MET HG2 H 2.435 0.009 2 15 4 4 MET HG3 H 2.435 0.009 2 16 4 4 MET HE H 1.967 0.009 . 17 4 4 MET CA C 55.404 0.18 1 18 4 4 MET CB C 33.059 0.18 1 19 4 4 MET CG C 32.123 0.18 1 20 4 4 MET CE C 17.089 0.18 1 21 4 4 MET N N 121.761 0.13 1 22 5 5 ASP H H 8.357 0.009 1 23 5 5 ASP HA H 4.579 0.009 1 24 5 5 ASP HB2 H 2.632 0.009 2 25 5 5 ASP HB3 H 2.724 0.009 2 26 5 5 ASP CA C 54.696 0.18 1 27 5 5 ASP CB C 41.307 0.18 1 28 5 5 ASP N N 122.449 0.13 1 29 6 6 GLU H H 8.485 0.009 1 30 6 6 GLU HA H 4.274 0.009 1 31 6 6 GLU HB2 H 2.099 0.009 2 32 6 6 GLU HB3 H 1.934 0.009 2 33 6 6 GLU HG2 H 2.254 0.009 2 34 6 6 GLU HG3 H 2.254 0.009 2 35 6 6 GLU CA C 56.907 0.18 1 36 6 6 GLU CB C 30.047 0.18 1 37 6 6 GLU CG C 36.513 0.18 1 38 6 6 GLU N N 121.856 0.13 1 39 7 7 GLY H H 8.376 0.009 1 40 7 7 GLY HA2 H 3.714 0.009 2 41 7 7 GLY HA3 H 3.714 0.009 2 42 7 7 GLY CA C 45.538 0.18 1 43 7 7 GLY N N 110.268 0.13 1 44 8 8 ALA H H 7.902 0.009 1 45 8 8 ALA HA H 4.523 0.009 1 46 8 8 ALA HB H 1.199 0.009 . 47 8 8 ALA CA C 51.850 0.18 1 48 8 8 ALA CB C 20.732 0.18 1 49 8 8 ALA N N 123.141 0.13 1 50 9 9 VAL H H 8.113 0.009 1 51 9 9 VAL HA H 4.219 0.009 1 52 9 9 VAL HB H 1.957 0.009 1 53 9 9 VAL HG1 H 0.884 0.009 . 54 9 9 VAL HG2 H 0.884 0.009 . 55 9 9 VAL CA C 61.901 0.18 1 56 9 9 VAL CB C 33.936 0.18 1 57 9 9 VAL CG1 C 21.410 0.18 2 58 9 9 VAL CG2 C 21.409 0.18 2 59 9 9 VAL N N 120.521 0.13 1 60 10 10 LEU H H 8.577 0.009 1 61 10 10 LEU HA H 4.659 0.009 1 62 10 10 LEU HB2 H 1.338 0.009 2 63 10 10 LEU HB3 H 1.446 0.009 2 64 10 10 LEU HG H 1.073 0.009 1 65 10 10 LEU HD1 H 0.572 0.009 . 66 10 10 LEU HD2 H 0.487 0.009 . 67 10 10 LEU CA C 54.202 0.18 1 68 10 10 LEU CB C 43.815 0.18 1 69 10 10 LEU CG C 23.825 0.18 1 70 10 10 LEU CD1 C 25.020 0.18 2 71 10 10 LEU CD2 C 25.944 0.18 2 72 10 10 LEU N N 128.790 0.13 1 73 11 11 THR HA H 5.349 0.009 1 74 11 11 THR HB H 3.854 0.009 1 75 11 11 THR HG2 H 1.096 0.009 . 76 11 11 THR CA C 60.386 0.18 1 77 11 11 THR CB C 72.001 0.18 1 78 11 11 THR CG2 C 21.634 0.18 1 79 12 12 LEU HA H 4.461 0.009 1 80 12 12 LEU HB2 H 1.530 0.009 2 81 12 12 LEU HB3 H 1.530 0.009 2 82 12 12 LEU HG H 1.549 0.009 1 83 12 12 LEU HD1 H 0.596 0.009 . 84 12 12 LEU HD2 H 0.524 0.009 . 85 12 12 LEU CA C 54.421 0.18 1 86 12 12 LEU CB C 43.433 0.18 1 87 12 12 LEU CG C 27.506 0.18 1 88 12 12 LEU CD1 C 25.274 0.18 2 89 12 12 LEU CD2 C 24.468 0.18 2 90 13 13 ALA H H 8.394 0.009 1 91 13 13 ALA HA H 4.311 0.009 1 92 13 13 ALA HB H 1.442 0.009 . 93 13 13 ALA CA C 51.973 0.18 1 94 13 13 ALA CB C 20.258 0.18 1 95 13 13 ALA N N 125.942 0.13 1 96 14 14 ALA H H 8.760 0.009 1 97 14 14 ALA HA H 4.121 0.009 1 98 14 14 ALA HB H 1.418 0.009 . 99 14 14 ALA CA C 54.677 0.18 1 100 14 14 ALA CB C 18.366 0.18 1 101 14 14 ALA N N 125.619 0.13 1 102 15 15 ASP H H 7.835 0.009 1 103 15 15 ASP HA H 4.482 0.009 1 104 15 15 ASP HB2 H 2.534 0.009 2 105 15 15 ASP HB3 H 2.999 0.009 2 106 15 15 ASP CA C 52.858 0.18 1 107 15 15 ASP CB C 40.064 0.18 1 108 15 15 ASP N N 114.584 0.13 1 109 16 16 LEU H H 8.165 0.009 1 110 16 16 LEU HA H 3.667 0.009 1 111 16 16 LEU HB2 H 1.590 0.009 2 112 16 16 LEU HB3 H 1.590 0.009 2 113 16 16 LEU HG H 1.531 0.009 1 114 16 16 LEU HD1 H 0.859 0.009 . 115 16 16 LEU HD2 H 0.859 0.009 . 116 16 16 LEU CA C 56.389 0.18 1 117 16 16 LEU CB C 40.261 0.18 1 118 16 16 LEU CG C 27.582 0.18 1 119 16 16 LEU CD1 C 24.070 0.18 2 120 16 16 LEU CD2 C 24.073 0.18 2 121 16 16 LEU N N 115.700 0.13 1 122 17 17 SER H H 8.101 0.009 1 123 17 17 SER HA H 4.389 0.009 1 124 17 17 SER HB2 H 3.859 0.009 2 125 17 17 SER HB3 H 3.728 0.009 2 126 17 17 SER CA C 59.732 0.18 1 127 17 17 SER CB C 64.092 0.18 1 128 17 17 SER N N 112.160 0.13 1 129 18 18 SER H H 7.450 0.009 1 130 18 18 SER HA H 5.024 0.009 1 131 18 18 SER HB2 H 3.823 0.009 2 132 18 18 SER HB3 H 3.711 0.009 2 133 18 18 SER CA C 56.996 0.18 1 134 18 18 SER CB C 65.549 0.18 1 135 18 18 SER N N 114.973 0.13 1 136 19 19 ALA H H 8.749 0.009 1 137 19 19 ALA HA H 4.993 0.009 1 138 19 19 ALA HB H 1.076 0.009 . 139 19 19 ALA CA C 50.637 0.18 1 140 19 19 ALA CB C 23.521 0.18 1 141 19 19 ALA N N 122.800 0.13 1 142 20 20 THR H H 8.568 0.009 1 143 20 20 THR HA H 5.016 0.009 1 144 20 20 THR HB H 3.873 0.009 1 145 20 20 THR HG2 H 1.074 0.009 . 146 20 20 THR CA C 61.219 0.18 1 147 20 20 THR CB C 71.159 0.18 1 148 20 20 THR CG2 C 21.764 0.18 1 149 20 20 THR N N 115.578 0.13 1 150 21 21 LEU H H 8.877 0.009 1 151 21 21 LEU HA H 4.721 0.009 1 152 21 21 LEU HB2 H 1.371 0.009 2 153 21 21 LEU HB3 H 1.152 0.009 2 154 21 21 LEU HG H 1.249 0.009 1 155 21 21 LEU HD1 H 0.521 0.009 . 156 21 21 LEU HD2 H 0.521 0.009 . 157 21 21 LEU CA C 53.679 0.18 1 158 21 21 LEU CB C 44.900 0.18 1 159 21 21 LEU CG C 27.169 0.18 1 160 21 21 LEU CD1 C 25.542 0.18 2 161 21 21 LEU N N 126.796 0.13 1 162 22 22 ASP H H 8.466 0.009 1 163 22 22 ASP HA H 4.757 0.009 1 164 22 22 ASP HB2 H 2.407 0.009 2 165 22 22 ASP HB3 H 2.557 0.009 2 166 22 22 ASP CA C 54.017 0.18 1 167 22 22 ASP CB C 41.983 0.18 1 168 22 22 ASP N N 124.700 0.13 1 169 23 23 ILE H H 7.825 0.009 1 170 23 23 ILE HA H 4.031 0.009 1 171 23 23 ILE HB H 1.552 0.009 1 172 23 23 ILE HG12 H 0.559 0.009 2 173 23 23 ILE HG13 H 0.891 0.009 2 174 23 23 ILE HG2 H 0.674 0.009 . 175 23 23 ILE HD1 H -0.026 0.009 . 176 23 23 ILE CA C 59.629 0.18 1 177 23 23 ILE CB C 38.062 0.18 1 178 23 23 ILE CG1 C 27.089 0.18 1 179 23 23 ILE CG2 C 17.612 0.18 1 180 23 23 ILE CD1 C 11.194 0.18 1 181 23 23 ILE N N 124.629 0.13 1 182 24 24 SER H H 8.637 0.009 1 183 24 24 SER HA H 4.398 0.009 1 184 24 24 SER HB2 H 4.106 0.009 2 185 24 24 SER HB3 H 4.336 0.009 2 186 24 24 SER CA C 58.184 0.18 1 187 24 24 SER CB C 64.557 0.18 1 188 24 24 SER N N 125.361 0.13 1 189 25 25 LYS H H 8.840 0.009 1 190 25 25 LYS HA H 4.181 0.009 1 191 25 25 LYS HB2 H 1.841 0.009 2 192 25 25 LYS HB3 H 1.788 0.009 2 193 25 25 LYS HG2 H 1.499 0.009 2 194 25 25 LYS HG3 H 1.499 0.009 2 195 25 25 LYS HD2 H 1.685 0.009 2 196 25 25 LYS HD3 H 1.685 0.009 2 197 25 25 LYS HE2 H 2.989 0.009 2 198 25 25 LYS HE3 H 2.989 0.009 2 199 25 25 LYS CA C 58.427 0.18 1 200 25 25 LYS CB C 32.042 0.18 1 201 25 25 LYS CG C 24.879 0.18 1 202 25 25 LYS CD C 28.791 0.18 1 203 25 25 LYS CE C 42.249 0.18 1 204 25 25 LYS N N 124.630 0.13 1 205 26 26 GLN H H 8.330 0.009 1 206 26 26 GLN HA H 4.066 0.009 1 207 26 26 GLN HB2 H 1.760 0.009 2 208 26 26 GLN HB3 H 1.867 0.009 2 209 26 26 GLN HG2 H 2.209 0.009 2 210 26 26 GLN HG3 H 2.238 0.009 2 211 26 26 GLN HE21 H 7.381 0.009 2 212 26 26 GLN HE22 H 6.893 0.009 2 213 26 26 GLN CA C 59.321 0.18 1 214 26 26 GLN CB C 28.773 0.18 1 215 26 26 GLN CG C 34.544 0.18 1 216 26 26 GLN N N 117.379 0.13 1 217 26 26 GLN NE2 N 112.522 0.13 1 218 27 27 TRP H H 7.434 0.009 1 219 27 27 TRP HA H 4.561 0.009 1 220 27 27 TRP HB2 H 3.340 0.009 2 221 27 27 TRP HB3 H 3.278 0.009 2 222 27 27 TRP HD1 H 7.365 0.009 1 223 27 27 TRP HE1 H 10.245 0.009 1 224 27 27 TRP HE3 H 7.576 0.009 1 225 27 27 TRP HZ2 H 7.325 0.009 1 226 27 27 TRP HZ3 H 6.859 0.009 1 227 27 27 TRP HH2 H 6.710 0.009 1 228 27 27 TRP CA C 60.228 0.18 1 229 27 27 TRP CB C 30.121 0.18 1 230 27 27 TRP CD1 C 127.577 0.18 1 231 27 27 TRP CE3 C 119.558 0.18 1 232 27 27 TRP CZ2 C 114.947 0.18 1 233 27 27 TRP CZ3 C 121.991 0.18 1 234 27 27 TRP CH2 C 123.308 0.18 1 235 27 27 TRP N N 118.412 0.13 1 236 27 27 TRP NE1 N 129.932 0.13 1 237 28 28 SER H H 9.003 0.009 1 238 28 28 SER HA H 4.009 0.009 1 239 28 28 SER HB2 H 4.172 0.009 2 240 28 28 SER HB3 H 4.172 0.009 2 241 28 28 SER CA C 62.130 0.18 1 242 28 28 SER CB C 62.273 0.18 1 243 28 28 SER N N 117.604 0.13 1 244 29 29 ASN H H 8.653 0.009 1 245 29 29 ASN HA H 4.595 0.009 1 246 29 29 ASN HB2 H 3.006 0.009 2 247 29 29 ASN HB3 H 2.664 0.009 2 248 29 29 ASN HD21 H 7.638 0.009 2 249 29 29 ASN HD22 H 6.900 0.009 2 250 29 29 ASN CA C 55.824 0.18 1 251 29 29 ASN CB C 38.163 0.18 1 252 29 29 ASN N N 121.383 0.13 1 253 29 29 ASN ND2 N 112.333 0.13 1 254 30 30 VAL CA C 56.222 0.18 1 255 30 30 VAL CB C 29.494 0.18 1 256 30 30 VAL CG1 C 21.907 0.18 2 257 30 30 VAL CG2 C 22.908 0.18 2 258 31 31 PHE H H 8.551 0.009 1 259 31 31 PHE HA H 3.517 0.009 1 260 31 31 PHE HB2 H 3.030 0.009 2 261 31 31 PHE HB3 H 3.455 0.009 2 262 31 31 PHE HD1 H 6.579 0.009 3 263 31 31 PHE HD2 H 6.625 0.009 3 264 31 31 PHE CA C 62.835 0.18 1 265 31 31 PHE CB C 40.156 0.18 1 266 31 31 PHE CD1 C 132.405 0.18 3 267 31 31 PHE CD2 C 132.410 0.18 3 268 31 31 PHE N N 121.135 0.13 1 269 32 32 ASN H H 8.651 0.009 1 270 32 32 ASN HA H 4.368 0.009 1 271 32 32 ASN HB2 H 2.919 0.009 2 272 32 32 ASN HB3 H 2.919 0.009 2 273 32 32 ASN HD21 H 6.904 0.009 2 274 32 32 ASN HD22 H 7.613 0.009 2 275 32 32 ASN CA C 57.015 0.18 1 276 32 32 ASN CB C 38.839 0.18 1 277 32 32 ASN N N 117.099 0.13 1 278 32 32 ASN ND2 N 114.446 0.13 1 279 33 33 ILE H H 7.711 0.009 1 280 33 33 ILE HA H 3.789 0.009 1 281 33 33 ILE HB H 1.678 0.009 1 282 33 33 ILE HG12 H 1.670 0.009 2 283 33 33 ILE HG13 H 1.160 0.009 2 284 33 33 ILE HG2 H 0.736 0.009 . 285 33 33 ILE HD1 H 0.797 0.009 . 286 33 33 ILE CA C 64.520 0.18 1 287 33 33 ILE CB C 38.339 0.18 1 288 33 33 ILE CG1 C 29.455 0.18 1 289 33 33 ILE CG2 C 18.285 0.18 1 290 33 33 ILE CD1 C 13.829 0.18 1 291 33 33 ILE N N 120.541 0.13 1 292 34 34 LEU H H 8.126 0.009 1 293 34 34 LEU HA H 3.858 0.009 1 294 34 34 LEU HB2 H 0.703 0.009 2 295 34 34 LEU HB3 H 1.610 0.009 2 296 34 34 LEU HG H 1.425 0.009 1 297 34 34 LEU HD1 H 0.051 0.009 . 298 34 34 LEU HD2 H -0.424 0.009 . 299 34 34 LEU CA C 57.819 0.18 1 300 34 34 LEU CB C 40.665 0.18 1 301 34 34 LEU CG C 26.278 0.18 1 302 34 34 LEU CD1 C 27.338 0.18 2 303 34 34 LEU CD2 C 21.266 0.18 2 304 34 34 LEU N N 121.099 0.13 1 305 35 35 ARG H H 8.756 0.009 1 306 35 35 ARG HA H 3.856 0.009 1 307 35 35 ARG HB2 H 1.360 0.009 2 308 35 35 ARG HB3 H 2.014 0.009 2 309 35 35 ARG HG3 H 1.655 0.009 2 310 35 35 ARG HD2 H 3.155 0.009 2 311 35 35 ARG HD3 H 3.358 0.009 2 312 35 35 ARG HE H 7.483 0.009 1 313 35 35 ARG CA C 59.121 0.18 1 314 35 35 ARG CB C 29.849 0.18 1 315 35 35 ARG CG C 26.274 0.18 1 316 35 35 ARG CD C 44.157 0.18 1 317 35 35 ARG N N 122.638 0.13 1 318 35 35 ARG NE N 84.209 0.13 1 319 36 36 GLU H H 8.423 0.009 1 320 36 36 GLU HA H 4.110 0.009 1 321 36 36 GLU HB2 H 2.075 0.009 2 322 36 36 GLU HB3 H 2.075 0.009 2 323 36 36 GLU HG2 H 2.375 0.009 2 324 36 36 GLU HG3 H 2.375 0.009 2 325 36 36 GLU CA C 58.210 0.18 1 326 36 36 GLU CB C 29.729 0.18 1 327 36 36 GLU CG C 36.351 0.18 1 328 36 36 GLU N N 120.533 0.13 1 329 37 37 ASN H H 7.163 0.009 1 330 37 37 ASN HA H 4.838 0.009 1 331 37 37 ASN HB2 H 3.097 0.009 2 332 37 37 ASN HB3 H 2.504 0.009 2 333 37 37 ASN HD21 H 7.616 0.009 2 334 37 37 ASN HD22 H 8.314 0.009 2 335 37 37 ASN CA C 53.744 0.18 1 336 37 37 ASN CB C 40.546 0.18 1 337 37 37 ASN N N 115.321 0.13 1 338 37 37 ASN ND2 N 119.631 0.13 1 339 38 38 ASP H H 7.542 0.009 1 340 38 38 ASP HA H 4.685 0.009 1 341 38 38 ASP HB2 H 2.892 0.009 2 342 38 38 ASP HB3 H 2.581 0.009 2 343 38 38 ASP CA C 56.511 0.18 1 344 38 38 ASP CB C 38.202 0.18 1 345 38 38 ASP N N 111.921 0.13 1 346 39 39 PHE H H 8.078 0.009 1 347 39 39 PHE HA H 4.584 0.009 1 348 39 39 PHE HB2 H 3.313 0.009 2 349 39 39 PHE HB3 H 2.547 0.009 2 350 39 39 PHE HD1 H 6.901 0.009 3 351 39 39 PHE HD2 H 6.901 0.009 3 352 39 39 PHE HE1 H 7.244 0.009 3 353 39 39 PHE HE2 H 7.244 0.009 3 354 39 39 PHE CA C 59.418 0.18 1 355 39 39 PHE CB C 38.965 0.18 1 356 39 39 PHE CD1 C 132.884 0.18 3 357 39 39 PHE CE1 C 131.249 0.18 3 358 39 39 PHE N N 114.378 0.13 1 359 40 40 GLU H H 8.733 0.009 1 360 40 40 GLU HA H 3.908 0.009 1 361 40 40 GLU HB2 H 2.042 0.009 2 362 40 40 GLU HB3 H 2.042 0.009 2 363 40 40 GLU CA C 56.255 0.18 1 364 40 40 GLU CB C 28.726 0.18 1 365 40 40 GLU N N 115.531 0.13 1 366 41 41 PRO HA H 5.293 0.009 1 367 41 41 PRO HB2 H 1.473 0.009 2 368 41 41 PRO HB3 H 1.473 0.009 2 369 41 41 PRO HG2 H 1.291 0.009 2 370 41 41 PRO HG3 H 0.906 0.009 2 371 41 41 PRO HD2 H 3.391 0.009 2 372 41 41 PRO HD3 H 2.777 0.009 2 373 41 41 PRO CA C 61.899 0.18 1 374 41 41 PRO CB C 33.151 0.18 1 375 41 41 PRO CG C 26.504 0.18 1 376 41 41 PRO CD C 50.146 0.18 1 377 42 42 LYS H H 9.144 0.009 1 378 42 42 LYS HA H 4.700 0.009 1 379 42 42 LYS HB2 H 1.666 0.009 2 380 42 42 LYS HB3 H 1.666 0.009 2 381 42 42 LYS HG2 H 0.875 0.009 2 382 42 42 LYS HG3 H 0.875 0.009 2 383 42 42 LYS HD2 H 0.639 0.009 2 384 42 42 LYS HD3 H 0.639 0.009 2 385 42 42 LYS CA C 55.476 0.18 1 386 42 42 LYS CB C 36.723 0.18 1 387 42 42 LYS CG C 21.687 0.18 1 388 42 42 LYS CD C 26.367 0.18 1 389 42 42 LYS N N 118.255 0.13 1 390 43 43 PHE H H 9.085 0.009 1 391 43 43 PHE HA H 5.445 0.009 1 392 43 43 PHE HB2 H 2.656 0.009 2 393 43 43 PHE HB3 H 2.612 0.009 2 394 43 43 PHE HD1 H 6.830 0.009 3 395 43 43 PHE HD2 H 6.830 0.009 3 396 43 43 PHE HE1 H 6.604 0.009 3 397 43 43 PHE HE2 H 6.604 0.009 3 398 43 43 PHE CA C 57.496 0.18 1 399 43 43 PHE CB C 41.129 0.18 1 400 43 43 PHE CD2 C 131.747 0.18 3 401 43 43 PHE CE2 C 131.410 0.18 3 402 43 43 PHE N N 122.245 0.13 1 403 44 44 LEU H H 9.069 0.009 1 404 44 44 LEU HA H 4.813 0.009 1 405 44 44 LEU HB2 H 1.431 0.009 2 406 44 44 LEU HB3 H 1.471 0.009 2 407 44 44 LEU HD1 H 0.718 0.009 . 408 44 44 LEU HD2 H 0.741 0.009 . 409 44 44 LEU CA C 53.210 0.18 1 410 44 44 LEU CB C 44.365 0.18 1 411 44 44 LEU CD1 C 26.115 0.18 2 412 44 44 LEU CD2 C 24.039 0.18 2 413 44 44 LEU N N 124.272 0.13 1 414 45 45 CYS H H 8.819 0.009 1 415 45 45 CYS HA H 5.190 0.009 1 416 45 45 CYS HB2 H 2.446 0.009 2 417 45 45 CYS HB3 H 2.446 0.009 2 418 45 45 CYS CA C 56.881 0.18 1 419 45 45 CYS CB C 30.509 0.18 1 420 45 45 CYS N N 120.218 0.13 1 421 46 46 GLU H H 8.652 0.009 1 422 46 46 GLU HA H 4.602 0.009 1 423 46 46 GLU HB2 H 1.980 0.009 2 424 46 46 GLU HB3 H 1.817 0.009 2 425 46 46 GLU HG2 H 2.043 0.009 2 426 46 46 GLU HG3 H 2.043 0.009 2 427 46 46 GLU CA C 55.198 0.18 1 428 46 46 GLU CB C 32.378 0.18 1 429 46 46 GLU CG C 36.216 0.18 1 430 46 46 GLU N N 127.444 0.13 1 431 47 47 VAL H H 8.455 0.009 1 432 47 47 VAL HA H 4.732 0.009 1 433 47 47 VAL HB H 1.586 0.009 1 434 47 47 VAL HG1 H 0.436 0.009 . 435 47 47 VAL HG2 H 0.543 0.009 . 436 47 47 VAL CA C 61.110 0.18 1 437 47 47 VAL CB C 33.464 0.18 1 438 47 47 VAL CG1 C 21.679 0.18 2 439 47 47 VAL CG2 C 22.208 0.18 2 440 47 47 VAL N N 126.664 0.13 1 441 48 48 LYS H H 8.680 0.009 1 442 48 48 LYS HA H 4.867 0.009 1 443 48 48 LYS HB2 H 1.546 0.009 2 444 48 48 LYS HB3 H 1.384 0.009 2 445 48 48 LYS HG2 H 1.203 0.009 2 446 48 48 LYS HG3 H 1.203 0.009 2 447 48 48 LYS HD2 H 1.384 0.009 2 448 48 48 LYS HD3 H 1.384 0.009 2 449 48 48 LYS HE2 H 2.724 0.009 2 450 48 48 LYS HE3 H 2.724 0.009 2 451 48 48 LYS CA C 54.152 0.18 1 452 48 48 LYS CB C 36.771 0.18 1 453 48 48 LYS CG C 25.310 0.18 1 454 48 48 LYS CD C 29.874 0.18 1 455 48 48 LYS CE C 42.306 0.18 1 456 48 48 LYS N N 124.434 0.13 1 457 49 49 LEU H H 8.699 0.009 1 458 49 49 LEU HA H 4.911 0.009 1 459 49 49 LEU HB2 H 1.819 0.009 2 460 49 49 LEU HB3 H 1.354 0.009 2 461 49 49 LEU HG H 1.525 0.009 1 462 49 49 LEU HD1 H 0.844 0.009 . 463 49 49 LEU HD2 H 0.563 0.009 . 464 49 49 LEU CA C 53.967 0.18 1 465 49 49 LEU CB C 45.981 0.18 1 466 49 49 LEU CG C 28.124 0.18 1 467 49 49 LEU CD1 C 27.276 0.18 2 468 49 49 LEU CD2 C 23.676 0.18 2 469 49 49 LEU N N 124.048 0.13 1 470 50 50 ALA H H 9.203 0.009 1 471 50 50 ALA HA H 5.840 0.009 1 472 50 50 ALA HB H 1.099 0.009 . 473 50 50 ALA CA C 49.275 0.18 1 474 50 50 ALA CB C 23.034 0.18 1 475 50 50 ALA N N 130.149 0.13 1 476 51 51 PHE H H 8.440 0.009 1 477 51 51 PHE HA H 4.811 0.009 1 478 51 51 PHE HB2 H 3.335 0.009 2 479 51 51 PHE HB3 H 2.892 0.009 2 480 51 51 PHE HD1 H 6.905 0.009 3 481 51 51 PHE HD2 H 6.905 0.009 3 482 51 51 PHE HE1 H 7.501 0.009 3 483 51 51 PHE HE2 H 7.501 0.009 3 484 51 51 PHE CA C 56.735 0.18 1 485 51 51 PHE CB C 39.262 0.18 1 486 51 51 PHE CD1 C 132.800 0.18 3 487 51 51 PHE CD2 C 132.800 0.18 3 488 51 51 PHE CE1 C 132.661 0.18 3 489 51 51 PHE CE2 C 132.660 0.18 3 490 51 51 PHE N N 115.001 0.13 1 491 52 52 LYS H H 8.931 0.009 1 492 52 52 LYS HA H 4.904 0.009 1 493 52 52 LYS HB2 H 1.568 0.009 2 494 52 52 LYS HB3 H 1.673 0.009 2 495 52 52 LYS HG2 H 1.157 0.009 2 496 52 52 LYS HG3 H 1.157 0.009 2 497 52 52 LYS HD2 H 1.515 0.009 2 498 52 52 LYS HD3 H 1.515 0.009 2 499 52 52 LYS HE2 H 2.777 0.009 2 500 52 52 LYS HE3 H 2.777 0.009 2 501 52 52 LYS CA C 55.370 0.18 1 502 52 52 LYS CB C 34.075 0.18 1 503 52 52 LYS CG C 25.079 0.18 1 504 52 52 LYS CD C 29.577 0.18 1 505 52 52 LYS CE C 41.881 0.18 1 506 52 52 LYS N N 122.139 0.13 1 507 53 53 CYS H H 9.183 0.009 1 508 53 53 CYS HA H 4.801 0.009 1 509 53 53 CYS HB2 H 2.996 0.009 2 510 53 53 CYS HB3 H 2.814 0.009 2 511 53 53 CYS CA C 58.656 0.18 1 512 53 53 CYS CB C 28.954 0.18 1 513 53 53 CYS N N 125.893 0.13 1 514 54 54 ASP H H 9.712 0.009 1 515 54 54 ASP HA H 4.356 0.009 1 516 54 54 ASP HB2 H 2.819 0.009 2 517 54 54 ASP HB3 H 2.977 0.009 2 518 54 54 ASP CA C 55.789 0.18 1 519 54 54 ASP CB C 39.842 0.18 1 520 54 54 ASP N N 131.027 0.13 1 521 55 55 GLY H H 8.707 0.009 1 522 55 55 GLY HA2 H 3.518 0.009 2 523 55 55 GLY HA3 H 4.162 0.009 2 524 55 55 GLY CA C 45.685 0.18 1 525 55 55 GLY N N 104.172 0.13 1 526 56 56 GLU H H 7.709 0.009 1 527 56 56 GLU HA H 4.639 0.009 1 528 56 56 GLU HB2 H 1.929 0.009 2 529 56 56 GLU HB3 H 1.852 0.009 2 530 56 56 GLU HG2 H 2.132 0.009 2 531 56 56 GLU HG3 H 2.132 0.009 2 532 56 56 GLU CA C 54.069 0.18 1 533 56 56 GLU CB C 33.498 0.18 1 534 56 56 GLU CG C 36.022 0.18 1 535 56 56 GLU N N 120.557 0.13 1 536 57 57 ILE H H 8.502 0.009 1 537 57 57 ILE HA H 4.356 0.009 1 538 57 57 ILE HB H 1.702 0.009 1 539 57 57 ILE HG12 H 1.360 0.009 2 540 57 57 ILE HG13 H 1.130 0.009 2 541 57 57 ILE HG2 H 0.571 0.009 . 542 57 57 ILE HD1 H 0.636 0.009 . 543 57 57 ILE CA C 59.809 0.18 1 544 57 57 ILE CB C 36.876 0.18 1 545 57 57 ILE CG1 C 27.484 0.18 1 546 57 57 ILE CG2 C 17.506 0.18 1 547 57 57 ILE CD1 C 11.280 0.18 1 548 57 57 ILE N N 123.029 0.13 1 549 58 58 LYS H H 8.755 0.009 1 550 58 58 LYS HA H 4.190 0.009 1 551 58 58 LYS HB2 H 0.878 0.009 2 552 58 58 LYS HB3 H 0.557 0.009 2 553 58 58 LYS HG2 H 1.075 0.009 2 554 58 58 LYS HG3 H 0.883 0.009 2 555 58 58 LYS HD2 H 1.381 0.009 2 556 58 58 LYS HD3 H 1.191 0.009 2 557 58 58 LYS HE2 H 2.410 0.009 2 558 58 58 LYS HE3 H 2.724 0.009 2 559 58 58 LYS CA C 52.259 0.18 1 560 58 58 LYS CB C 33.114 0.18 1 561 58 58 LYS CG C 23.747 0.18 1 562 58 58 LYS CD C 27.250 0.18 1 563 58 58 LYS CE C 41.683 0.18 1 564 58 58 LYS N N 130.275 0.13 1 565 59 59 THR H H 7.369 0.009 1 566 59 59 THR HA H 5.100 0.009 1 567 59 59 THR HB H 3.534 0.009 1 568 59 59 THR HG2 H 0.871 0.009 . 569 59 59 THR CA C 60.409 0.18 1 570 59 59 THR CB C 70.886 0.18 1 571 59 59 THR CG2 C 22.020 0.18 1 572 59 59 THR N N 112.811 0.13 1 573 60 60 PHE H H 9.162 0.009 1 574 60 60 PHE HA H 4.768 0.009 1 575 60 60 PHE HB2 H 2.745 0.009 2 576 60 60 PHE HB3 H 3.370 0.009 2 577 60 60 PHE HD1 H 7.087 0.009 3 578 60 60 PHE HD2 H 7.087 0.009 3 579 60 60 PHE HE1 H 6.710 0.009 3 580 60 60 PHE HE2 H 6.710 0.009 3 581 60 60 PHE HZ H 6.106 0.009 1 582 60 60 PHE CA C 57.623 0.18 1 583 60 60 PHE CB C 44.138 0.18 1 584 60 60 PHE CD1 C 131.737 0.18 3 585 60 60 PHE CD2 C 131.734 0.18 3 586 60 60 PHE CE2 C 131.740 0.18 3 587 60 60 PHE CZ C 129.368 0.18 1 588 60 60 PHE N N 121.789 0.13 1 589 61 61 SER H H 9.572 0.009 1 590 61 61 SER HA H 4.876 0.009 1 591 61 61 SER HB2 H 3.874 0.009 2 592 61 61 SER HB3 H 4.104 0.009 2 593 61 61 SER CA C 58.232 0.18 1 594 61 61 SER CB C 64.611 0.18 1 595 61 61 SER N N 116.498 0.13 1 596 62 62 ASP H H 7.787 0.009 1 597 62 62 ASP HA H 5.076 0.009 1 598 62 62 ASP HB2 H 2.945 0.009 2 599 62 62 ASP HB3 H 2.945 0.009 2 600 62 62 ASP CA C 53.246 0.18 1 601 62 62 ASP CB C 44.175 0.18 1 602 62 62 ASP N N 117.813 0.13 1 603 63 63 LEU H H 8.906 0.009 1 604 63 63 LEU HA H 3.823 0.009 1 605 63 63 LEU HB2 H 1.467 0.009 2 606 63 63 LEU HB3 H 1.508 0.009 2 607 63 63 LEU HD1 H -0.028 0.009 . 608 63 63 LEU HD2 H -0.028 0.009 . 609 63 63 LEU CA C 56.818 0.18 1 610 63 63 LEU CB C 41.975 0.18 1 611 63 63 LEU N N 122.385 0.13 1 612 64 64 GLN H H 8.602 0.009 1 613 64 64 GLN HA H 4.010 0.009 1 614 64 64 GLN HB2 H 2.178 0.009 2 615 64 64 GLN HB3 H 2.085 0.009 2 616 64 64 GLN HG2 H 2.418 0.009 2 617 64 64 GLN HG3 H 2.418 0.009 2 618 64 64 GLN CA C 59.379 0.18 1 619 64 64 GLN CB C 27.595 0.18 1 620 64 64 GLN CG C 33.912 0.18 1 621 64 64 GLN N N 121.981 0.13 1 622 65 65 SER H H 9.019 0.009 1 623 65 65 SER HA H 4.220 0.009 1 624 65 65 SER HB2 H 4.014 0.009 2 625 65 65 SER HB3 H 4.014 0.009 2 626 65 65 SER CA C 62.205 0.18 1 627 65 65 SER CB C 62.355 0.18 1 628 65 65 SER N N 118.758 0.13 1 629 66 66 LEU H H 7.099 0.009 1 630 66 66 LEU HA H 3.181 0.009 1 631 66 66 LEU HB2 H 0.982 0.009 2 632 66 66 LEU HB3 H 1.715 0.009 2 633 66 66 LEU HG H 1.058 0.009 1 634 66 66 LEU HD1 H 0.546 0.009 . 635 66 66 LEU HD2 H 0.443 0.009 . 636 66 66 LEU CA C 58.139 0.18 1 637 66 66 LEU CB C 41.269 0.18 1 638 66 66 LEU CG C 27.699 0.18 1 639 66 66 LEU CD1 C 26.201 0.18 2 640 66 66 LEU CD2 C 24.284 0.18 2 641 66 66 LEU N N 125.879 0.13 1 642 67 67 ARG H H 8.449 0.009 1 643 67 67 ARG HA H 3.611 0.009 1 644 67 67 ARG HB2 H 1.717 0.009 2 645 67 67 ARG HB3 H 1.957 0.009 2 646 67 67 ARG HG2 H 1.561 0.009 2 647 67 67 ARG HG3 H 1.450 0.009 2 648 67 67 ARG HD2 H 3.058 0.009 2 649 67 67 ARG HD3 H 3.058 0.009 2 650 67 67 ARG HE H 7.240 0.009 1 651 67 67 ARG CA C 59.995 0.18 1 652 67 67 ARG CB C 29.825 0.18 1 653 67 67 ARG CG C 27.449 0.18 1 654 67 67 ARG CD C 43.442 0.18 1 655 67 67 ARG N N 121.270 0.13 1 656 67 67 ARG NE N 84.701 0.13 1 657 68 68 LYS H H 7.998 0.009 1 658 68 68 LYS HA H 3.951 0.009 1 659 68 68 LYS HB2 H 1.935 0.009 2 660 68 68 LYS HB3 H 1.893 0.009 2 661 68 68 LYS HG2 H 1.422 0.009 2 662 68 68 LYS HG3 H 1.521 0.009 2 663 68 68 LYS HD2 H 1.677 0.009 2 664 68 68 LYS HD3 H 1.677 0.009 2 665 68 68 LYS HE2 H 2.923 0.009 2 666 68 68 LYS HE3 H 2.923 0.009 2 667 68 68 LYS CA C 59.482 0.18 1 668 68 68 LYS CB C 32.293 0.18 1 669 68 68 LYS CG C 25.350 0.18 1 670 68 68 LYS CD C 29.450 0.18 1 671 68 68 LYS CE C 42.319 0.18 1 672 68 68 LYS N N 120.624 0.13 1 673 69 69 PHE H H 7.783 0.009 1 674 69 69 PHE HA H 4.256 0.009 1 675 69 69 PHE HB2 H 3.448 0.009 2 676 69 69 PHE HB3 H 3.018 0.009 2 677 69 69 PHE HD1 H 7.232 0.009 3 678 69 69 PHE HD2 H 7.232 0.009 3 679 69 69 PHE HE1 H 7.469 0.009 3 680 69 69 PHE HE2 H 7.469 0.009 3 681 69 69 PHE CA C 61.215 0.18 1 682 69 69 PHE CB C 40.171 0.18 1 683 69 69 PHE CD1 C 132.580 0.18 3 684 69 69 PHE CD2 C 132.581 0.18 3 685 69 69 PHE CE2 C 131.692 0.18 3 686 69 69 PHE N N 122.104 0.13 1 687 70 70 ALA H H 8.801 0.009 1 688 70 70 ALA HA H 3.732 0.009 1 689 70 70 ALA HB H 1.129 0.009 . 690 70 70 ALA CA C 54.455 0.18 1 691 70 70 ALA CB C 18.697 0.18 1 692 70 70 ALA N N 121.297 0.13 1 693 71 71 SER H H 7.669 0.009 1 694 71 71 SER HA H 3.948 0.009 1 695 71 71 SER HB2 H 3.939 0.009 2 696 71 71 SER CA C 60.995 0.18 1 697 71 71 SER CB C 63.451 0.18 1 698 71 71 SER N N 109.734 0.13 1 699 72 72 GLN H H 7.160 0.009 1 700 72 72 GLN HA H 4.307 0.009 1 701 72 72 GLN HB2 H 2.173 0.009 2 702 72 72 GLN HB3 H 1.920 0.009 2 703 72 72 GLN HG2 H 2.273 0.009 2 704 72 72 GLN HG3 H 2.415 0.009 2 705 72 72 GLN HE21 H 7.593 0.009 2 706 72 72 GLN HE22 H 6.802 0.009 2 707 72 72 GLN CA C 55.144 0.18 1 708 72 72 GLN CB C 29.619 0.18 1 709 72 72 GLN CG C 34.030 0.18 1 710 72 72 GLN N N 118.485 0.13 1 711 72 72 GLN NE2 N 113.153 0.13 1 712 73 73 LYS H H 7.288 0.009 1 713 73 73 LYS HA H 4.597 0.009 1 714 73 73 LYS HB2 H 1.632 0.009 2 715 73 73 LYS HB3 H 1.430 0.009 2 716 73 73 LYS HG2 H 1.055 0.009 2 717 73 73 LYS HG3 H 1.055 0.009 2 718 73 73 LYS HD2 H 1.468 0.009 2 719 73 73 LYS HD3 H 1.468 0.009 2 720 73 73 LYS HE2 H 2.935 0.009 2 721 73 73 LYS HE3 H 2.741 0.009 2 722 73 73 LYS CA C 53.219 0.18 1 723 73 73 LYS CB C 33.143 0.18 1 724 73 73 LYS CG C 23.568 0.18 1 725 73 73 LYS CD C 28.635 0.18 1 726 73 73 LYS CE C 42.277 0.18 1 727 73 73 LYS N N 121.680 0.13 1 728 74 74 SER HB2 H 3.986 0.009 2 729 74 74 SER HB3 H 3.918 0.009 2 730 74 74 SER CA C 62.000 0.18 1 731 74 74 SER CB C 62.392 0.18 1 732 75 75 SER H H 8.439 0.009 1 733 75 75 SER HA H 4.299 0.009 1 734 75 75 SER HB2 H 3.952 0.009 2 735 75 75 SER HB3 H 4.035 0.009 2 736 75 75 SER CA C 59.939 0.18 1 737 75 75 SER CB C 62.592 0.18 1 738 75 75 SER N N 115.269 0.13 1 739 76 76 MET H H 7.377 0.009 1 740 76 76 MET HA H 4.338 0.009 1 741 76 76 MET HB2 H 1.917 0.009 2 742 76 76 MET HB3 H 2.094 0.009 2 743 76 76 MET HG2 H 2.441 0.009 2 744 76 76 MET HG3 H 2.059 0.009 2 745 76 76 MET HE H 1.221 0.009 . 746 76 76 MET CA C 57.159 0.18 1 747 76 76 MET CB C 34.819 0.18 1 748 76 76 MET CG C 33.219 0.18 1 749 76 76 MET CE C 17.489 0.18 1 750 76 76 MET N N 119.989 0.13 1 751 77 77 LYS H H 8.013 0.009 1 752 77 77 LYS HA H 3.613 0.009 1 753 77 77 LYS HB2 H 1.883 0.009 2 754 77 77 LYS HB3 H 1.786 0.009 2 755 77 77 LYS HG2 H 1.451 0.009 2 756 77 77 LYS HG3 H 1.569 0.009 2 757 77 77 LYS HD2 H 1.962 0.009 2 758 77 77 LYS HD3 H 1.578 0.009 2 759 77 77 LYS CA C 60.133 0.18 1 760 77 77 LYS CB C 32.259 0.18 1 761 77 77 LYS CG C 27.500 0.18 1 762 77 77 LYS CD C 29.707 0.18 1 763 77 77 LYS N N 121.432 0.13 1 764 78 78 GLU H H 8.089 0.009 1 765 78 78 GLU HA H 4.129 0.009 1 766 78 78 GLU HB2 H 2.025 0.009 2 767 78 78 GLU HB3 H 1.882 0.009 2 768 78 78 GLU HG2 H 2.243 0.009 2 769 78 78 GLU HG3 H 2.243 0.009 2 770 78 78 GLU CA C 57.530 0.18 1 771 78 78 GLU CB C 29.525 0.18 1 772 78 78 GLU CG C 35.994 0.18 1 773 78 78 GLU N N 117.200 0.13 1 774 79 79 LEU H H 7.437 0.009 1 775 79 79 LEU HA H 4.024 0.009 1 776 79 79 LEU HB2 H 1.688 0.009 2 777 79 79 LEU HB3 H 1.336 0.009 2 778 79 79 LEU HG H 1.615 0.009 1 779 79 79 LEU HD1 H 0.846 0.009 . 780 79 79 LEU HD2 H 0.746 0.009 . 781 79 79 LEU CA C 57.082 0.18 1 782 79 79 LEU CB C 42.871 0.18 1 783 79 79 LEU CG C 26.580 0.18 1 784 79 79 LEU CD1 C 25.010 0.18 2 785 79 79 LEU CD2 C 23.698 0.18 2 786 79 79 LEU N N 119.315 0.13 1 787 80 80 LEU H H 7.560 0.009 1 788 80 80 LEU HA H 4.296 0.009 1 789 80 80 LEU HB2 H 1.466 0.009 2 790 80 80 LEU HB3 H 1.452 0.009 2 791 80 80 LEU HG H 1.382 0.009 1 792 80 80 LEU HD1 H 0.781 0.009 . 793 80 80 LEU HD2 H 0.509 0.009 . 794 80 80 LEU CA C 53.874 0.18 1 795 80 80 LEU CB C 41.708 0.18 1 796 80 80 LEU CG C 27.199 0.18 1 797 80 80 LEU CD1 C 21.164 0.18 2 798 80 80 LEU CD2 C 23.330 0.18 2 799 80 80 LEU N N 114.760 0.13 1 800 81 81 LYS H H 7.054 0.009 1 801 81 81 LYS HA H 3.912 0.009 1 802 81 81 LYS HB2 H 1.820 0.009 2 803 81 81 LYS HB3 H 1.820 0.009 2 804 81 81 LYS HG2 H 1.372 0.009 2 805 81 81 LYS HG3 H 1.257 0.009 2 806 81 81 LYS HD2 H 1.601 0.009 2 807 81 81 LYS HD3 H 1.601 0.009 2 808 81 81 LYS HE2 H 2.947 0.009 2 809 81 81 LYS HE3 H 2.947 0.009 2 810 81 81 LYS CA C 59.201 0.18 1 811 81 81 LYS CB C 32.409 0.18 1 812 81 81 LYS CG C 23.703 0.18 1 813 81 81 LYS CD C 29.741 0.18 1 814 81 81 LYS CE C 42.340 0.18 1 815 81 81 LYS N N 120.468 0.13 1 816 82 82 ASP H H 8.456 0.009 1 817 82 82 ASP HA H 4.693 0.009 1 818 82 82 ASP HB2 H 2.682 0.009 2 819 82 82 ASP HB3 H 2.409 0.009 2 820 82 82 ASP CA C 55.118 0.18 1 821 82 82 ASP CB C 41.445 0.18 1 822 82 82 ASP N N 118.031 0.13 1 823 83 83 VAL H H 7.427 0.009 1 824 83 83 VAL HA H 4.192 0.009 1 825 83 83 VAL HB H 2.042 0.009 1 826 83 83 VAL HG1 H 0.763 0.009 . 827 83 83 VAL HG2 H 0.782 0.009 . 828 83 83 VAL CA C 61.812 0.18 1 829 83 83 VAL CB C 32.753 0.18 1 830 83 83 VAL CG1 C 21.668 0.18 2 831 83 83 VAL CG2 C 21.391 0.18 2 832 83 83 VAL N N 115.842 0.13 1 833 84 84 LEU H H 7.461 0.009 1 834 84 84 LEU HA H 4.542 0.009 1 835 84 84 LEU HB2 H 1.436 0.009 2 836 84 84 LEU HB3 H 1.279 0.009 2 837 84 84 LEU HG H 1.523 0.009 1 838 84 84 LEU HD1 H 0.685 0.009 . 839 84 84 LEU HD2 H 0.685 0.009 . 840 84 84 LEU CA C 52.038 0.18 1 841 84 84 LEU CB C 42.140 0.18 1 842 84 84 LEU CG C 26.637 0.18 1 843 84 84 LEU CD1 C 23.960 0.18 2 844 84 84 LEU CD2 C 23.957 0.18 2 845 84 84 LEU N N 123.084 0.13 1 846 85 85 PRO HA H 4.336 0.009 1 847 85 85 PRO HB2 H 2.217 0.009 2 848 85 85 PRO HB3 H 1.803 0.009 2 849 85 85 PRO HG2 H 1.847 0.009 2 850 85 85 PRO HG3 H 1.847 0.009 2 851 85 85 PRO HD2 H 3.452 0.009 2 852 85 85 PRO HD3 H 3.352 0.009 2 853 85 85 PRO CA C 62.853 0.18 1 854 85 85 PRO CB C 32.178 0.18 1 855 85 85 PRO CG C 27.425 0.18 1 856 85 85 PRO CD C 50.201 0.18 1 857 86 86 GLN H H 8.460 0.009 1 858 86 86 GLN HA H 4.144 0.009 1 859 86 86 GLN HB2 H 1.864 0.009 2 860 86 86 GLN HB3 H 2.031 0.009 2 861 86 86 GLN HG2 H 2.308 0.009 2 862 86 86 GLN HG3 H 2.308 0.009 2 863 86 86 GLN HE21 H 7.580 0.009 2 864 86 86 GLN HE22 H 6.798 0.009 2 865 86 86 GLN CA C 55.689 0.18 1 866 86 86 GLN CB C 29.618 0.18 1 867 86 86 GLN CG C 33.828 0.18 1 868 86 86 GLN N N 121.533 0.13 1 869 86 86 GLN NE2 N 113.849 0.13 1 870 87 87 LYS H H 8.168 0.009 1 871 87 87 LYS HA H 4.246 0.009 1 872 87 87 LYS HB2 H 1.756 0.009 2 873 87 87 LYS HB3 H 1.658 0.009 2 874 87 87 LYS HG2 H 1.346 0.009 2 875 87 87 LYS HG3 H 1.346 0.009 2 876 87 87 LYS HD2 H 1.612 0.009 2 877 87 87 LYS HD3 H 1.612 0.009 2 878 87 87 LYS CA C 56.241 0.18 1 879 87 87 LYS CB C 33.528 0.18 1 880 87 87 LYS CG C 24.546 0.18 1 881 87 87 LYS CD C 29.330 0.18 1 882 87 87 LYS N N 123.688 0.13 1 883 88 88 GLU H H 8.043 0.009 1 884 88 88 GLU HA H 4.044 0.009 1 885 88 88 GLU HB2 H 1.969 0.009 2 886 88 88 GLU HB3 H 1.811 0.009 2 887 88 88 GLU HG2 H 2.131 0.009 2 888 88 88 GLU HG3 H 2.131 0.009 2 889 88 88 GLU CA C 57.996 0.18 1 890 88 88 GLU CB C 31.170 0.18 1 891 88 88 GLU CG C 36.791 0.18 1 892 88 88 GLU N N 128.983 0.13 1 stop_ save_