data_30423 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of human BOK ; _BMRB_accession_number 30423 _BMRB_flat_file_name bmr30423.str _Entry_type original _Submission_date 2018-03-01 _Accession_date 2018-03-01 _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 Royappa G. . . 2 Zheng J. . . 3 Moldoveanu T. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 903 "13C chemical shifts" 535 "15N chemical shifts" 163 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-06-25 update author 'update entry citation' 2018-05-04 original author 'original release' stop_ _Original_release_date 2018-04-10 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Intrinsic Instability of BOK Enables Membrane Permeabilization in Apoptosis. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29768206 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zheng Janet H. . 2 Grace Christy R. . 3 Guibao Cristina D. . 4 McNamara Dan E. . 5 Llambi Fabien . . 6 Wang Yue-Ming M. . 7 Chen Taosheng . . 8 Moldoveanu Tudor . . stop_ _Journal_abbreviation 'Cell Rep.' _Journal_name_full 'Cell reports' _Journal_volume 23 _Journal_issue 7 _Journal_ISSN 2211-1247 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2083 _Page_last 2094 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Bcl-2-related ovarian killer protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _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 17186.006 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 158 _Mol_residue_sequence ; MSPTDKELVAQAKALGREYV HARLLRAGLSWSAPERAAPV PGRLAEVAAVLLRLGDELEM IRPSVYRNVARQLHISLQSE RVVTDAFLAVAGHIFSAGIT WGKVVSLYAVAAGLAVDAVR QAQPAMVHALVDALGEFVRK TLATWLRRRGGWTDVLKC ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 20 MET 2 21 SER 3 22 PRO 4 23 THR 5 24 ASP 6 25 LYS 7 26 GLU 8 27 LEU 9 28 VAL 10 29 ALA 11 30 GLN 12 31 ALA 13 32 LYS 14 33 ALA 15 34 LEU 16 35 GLY 17 36 ARG 18 37 GLU 19 38 TYR 20 39 VAL 21 40 HIS 22 41 ALA 23 42 ARG 24 43 LEU 25 44 LEU 26 45 ARG 27 46 ALA 28 47 GLY 29 48 LEU 30 49 SER 31 50 TRP 32 51 SER 33 52 ALA 34 53 PRO 35 54 GLU 36 55 ARG 37 56 ALA 38 57 ALA 39 58 PRO 40 59 VAL 41 60 PRO 42 61 GLY 43 62 ARG 44 63 LEU 45 64 ALA 46 65 GLU 47 66 VAL 48 67 ALA 49 68 ALA 50 69 VAL 51 70 LEU 52 71 LEU 53 72 ARG 54 73 LEU 55 74 GLY 56 75 ASP 57 76 GLU 58 77 LEU 59 78 GLU 60 79 MET 61 80 ILE 62 81 ARG 63 82 PRO 64 83 SER 65 84 VAL 66 85 TYR 67 86 ARG 68 87 ASN 69 88 VAL 70 89 ALA 71 90 ARG 72 91 GLN 73 92 LEU 74 93 HIS 75 94 ILE 76 95 SER 77 96 LEU 78 97 GLN 79 98 SER 80 99 GLU 81 100 ARG 82 101 VAL 83 102 VAL 84 103 THR 85 104 ASP 86 105 ALA 87 106 PHE 88 107 LEU 89 108 ALA 90 109 VAL 91 110 ALA 92 111 GLY 93 112 HIS 94 113 ILE 95 114 PHE 96 115 SER 97 116 ALA 98 117 GLY 99 118 ILE 100 119 THR 101 120 TRP 102 121 GLY 103 122 LYS 104 123 VAL 105 124 VAL 106 125 SER 107 126 LEU 108 127 TYR 109 128 ALA 110 129 VAL 111 130 ALA 112 131 ALA 113 132 GLY 114 133 LEU 115 134 ALA 116 135 VAL 117 136 ASP 118 137 ALA 119 138 VAL 120 139 ARG 121 140 GLN 122 141 ALA 123 142 GLN 124 143 PRO 125 144 ALA 126 145 MET 127 146 VAL 128 147 HIS 129 148 ALA 130 149 LEU 131 150 VAL 132 151 ASP 133 152 ALA 134 153 LEU 135 154 GLY 136 155 GLU 137 156 PHE 138 157 VAL 139 158 ARG 140 159 LYS 141 160 THR 142 161 LEU 143 162 ALA 144 163 THR 145 164 TRP 146 165 LEU 147 166 ARG 148 167 ARG 149 168 ARG 150 169 GLY 151 170 GLY 152 171 TRP 153 172 THR 154 173 ASP 155 174 VAL 156 175 LEU 157 176 LYS 158 177 CYS 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 _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'BOK, BCL2L9' 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' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.5 mM [U-99% 13C; U-99% 15N] hBOK, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-99% 13C; U-99% 15N]' NaCl 150 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CARA _Version 1.9 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name TOPSPIN _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceII _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D-15N-NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-15N-NOESY _Sample_label $sample_1 save_ save_3D-13C-NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-13C-NOESY _Sample_label $sample_1 save_ save_3D-NOESY-aro_3 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-NOESY-aro _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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' 150 . mM pH 6.8 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.000 external indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 external indirect . . . 0.10132912 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details 'The offset for the nitrogen shift is 0.67ppm.' loop_ _Experiment_label 3D-15N-NOESY 3D-13C-NOESY 3D-NOESY-aro '3D CBCA(CO)NH' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 20 1 MET HE H 2.100 0.020 1 2 20 1 MET CA C 56.062 0.3 1 3 20 1 MET CB C 33.672 0.3 1 4 20 1 MET CE C 17.246 0.3 1 5 20 1 MET N N 120.938 0.3 1 6 21 2 SER H H 8.531 0.020 1 7 21 2 SER HA H 4.551 0.020 1 8 21 2 SER HB2 H 3.801 0.020 1 9 21 2 SER HB3 H 3.801 0.020 1 10 21 2 SER CA C 55.999 0.3 1 11 21 2 SER CB C 63.623 0.3 1 12 21 2 SER N N 118.646 0.3 1 13 22 3 PRO HA H 4.614 0.020 1 14 22 3 PRO HB2 H 2.403 0.020 2 15 22 3 PRO HB3 H 1.870 0.020 2 16 22 3 PRO HG2 H 2.037 0.020 1 17 22 3 PRO HG3 H 2.037 0.020 1 18 22 3 PRO HD2 H 3.470 0.020 1 19 22 3 PRO HD3 H 3.470 0.020 1 20 22 3 PRO CA C 63.394 0.3 1 21 22 3 PRO CB C 32.395 0.3 1 22 22 3 PRO CG C 27.952 0.3 1 23 22 3 PRO CD C 50.558 0.3 1 24 23 4 THR H H 8.392 0.020 1 25 23 4 THR HA H 4.327 0.020 1 26 23 4 THR HB H 4.586 0.020 1 27 23 4 THR HG2 H 1.358 0.020 1 28 23 4 THR CA C 61.633 0.3 1 29 23 4 THR CB C 71.279 0.3 1 30 23 4 THR CG2 C 22.387 0.3 1 31 23 4 THR N N 112.514 0.3 1 32 24 5 ASP H H 8.808 0.020 1 33 24 5 ASP HA H 4.250 0.020 1 34 24 5 ASP HB2 H 2.712 0.020 2 35 24 5 ASP HB3 H 2.497 0.020 2 36 24 5 ASP CA C 58.298 0.3 1 37 24 5 ASP CB C 39.864 0.3 1 38 24 5 ASP N N 122.159 0.3 1 39 25 6 LYS H H 8.161 0.020 1 40 25 6 LYS HA H 3.905 0.020 1 41 25 6 LYS HB2 H 1.873 0.020 2 42 25 6 LYS HB3 H 1.804 0.020 2 43 25 6 LYS HG2 H 1.557 0.020 2 44 25 6 LYS HG3 H 1.410 0.020 2 45 25 6 LYS HD2 H 1.688 0.020 1 46 25 6 LYS HD3 H 1.688 0.020 1 47 25 6 LYS HE2 H 3.005 0.020 1 48 25 6 LYS HE3 H 3.005 0.020 1 49 25 6 LYS CA C 60.634 0.3 1 50 25 6 LYS CB C 32.773 0.3 1 51 25 6 LYS CG C 25.488 0.3 1 52 25 6 LYS CD C 30.043 0.3 1 53 25 6 LYS CE C 42.497 0.3 1 54 25 6 LYS N N 117.637 0.3 1 55 26 7 GLU H H 7.775 0.020 1 56 26 7 GLU HA H 4.210 0.020 1 57 26 7 GLU HB2 H 2.079 0.020 1 58 26 7 GLU HB3 H 2.079 0.020 1 59 26 7 GLU HG2 H 2.319 0.020 1 60 26 7 GLU HG3 H 2.319 0.020 1 61 26 7 GLU CA C 59.549 0.3 1 62 26 7 GLU CB C 30.033 0.3 1 63 26 7 GLU CG C 36.971 0.3 1 64 26 7 GLU N N 120.633 0.3 1 65 27 8 LEU H H 8.451 0.020 1 66 27 8 LEU HA H 4.402 0.020 1 67 27 8 LEU HB2 H 2.138 0.020 2 68 27 8 LEU HB3 H 1.319 0.020 2 69 27 8 LEU HG H 1.454 0.020 1 70 27 8 LEU HD1 H 0.932 0.020 2 71 27 8 LEU HD2 H 0.839 0.020 2 72 27 8 LEU CA C 58.905 0.3 1 73 27 8 LEU CB C 42.832 0.3 1 74 27 8 LEU CG C 27.079 0.3 1 75 27 8 LEU CD1 C 24.496 0.3 1 76 27 8 LEU CD2 C 27.160 0.3 1 77 27 8 LEU N N 119.140 0.3 1 78 28 9 VAL H H 8.419 0.020 1 79 28 9 VAL HA H 3.652 0.020 1 80 28 9 VAL HB H 2.165 0.020 1 81 28 9 VAL HG1 H 1.071 0.020 2 82 28 9 VAL HG2 H 0.948 0.020 2 83 28 9 VAL CA C 67.217 0.3 1 84 28 9 VAL CB C 32.323 0.3 1 85 28 9 VAL CG1 C 23.405 0.3 1 86 28 9 VAL CG2 C 21.531 0.3 1 87 28 9 VAL N N 120.303 0.3 1 88 29 10 ALA H H 8.102 0.020 1 89 29 10 ALA HA H 4.138 0.020 1 90 29 10 ALA HB H 1.599 0.020 1 91 29 10 ALA CA C 55.994 0.3 1 92 29 10 ALA CB C 18.537 0.3 1 93 29 10 ALA N N 123.430 0.3 1 94 30 11 GLN H H 8.883 0.020 1 95 30 11 GLN HA H 3.881 0.020 1 96 30 11 GLN HB2 H 2.455 0.020 1 97 30 11 GLN HB3 H 2.455 0.020 1 98 30 11 GLN HG2 H 2.985 0.020 2 99 30 11 GLN HG3 H 2.354 0.020 2 100 30 11 GLN HE21 H 7.510 0.020 1 101 30 11 GLN HE22 H 6.768 0.020 1 102 30 11 GLN CA C 59.210 0.3 1 103 30 11 GLN CB C 28.872 0.3 1 104 30 11 GLN CG C 34.797 0.3 1 105 30 11 GLN N N 118.135 0.3 1 106 30 11 GLN NE2 N 108.089 0.3 1 107 31 12 ALA H H 8.368 0.020 1 108 31 12 ALA HA H 3.682 0.020 1 109 31 12 ALA HB H 1.969 0.020 1 110 31 12 ALA CA C 55.109 0.3 1 111 31 12 ALA CB C 20.687 0.3 1 112 31 12 ALA N N 121.048 0.3 1 113 32 13 LYS H H 8.279 0.020 1 114 32 13 LYS HA H 3.885 0.020 1 115 32 13 LYS HB2 H 1.946 0.020 1 116 32 13 LYS HB3 H 1.946 0.020 1 117 32 13 LYS HE2 H 3.173 0.020 1 118 32 13 LYS HE3 H 3.173 0.020 1 119 32 13 LYS CA C 60.875 0.3 1 120 32 13 LYS CB C 32.564 0.3 1 121 32 13 LYS CG C 27.134 0.3 1 122 32 13 LYS CD C 29.500 0.3 1 123 32 13 LYS N N 117.113 0.3 1 124 33 14 ALA H H 7.955 0.020 1 125 33 14 ALA HA H 4.080 0.020 1 126 33 14 ALA HB H 1.465 0.020 1 127 33 14 ALA CA C 55.895 0.3 1 128 33 14 ALA CB C 18.458 0.3 1 129 33 14 ALA N N 123.631 0.3 1 130 34 15 LEU H H 8.628 0.020 1 131 34 15 LEU HA H 3.792 0.020 1 132 34 15 LEU HB2 H 1.654 0.020 2 133 34 15 LEU HB3 H 0.800 0.020 2 134 34 15 LEU HG H 1.409 0.020 1 135 34 15 LEU HD1 H 0.570 0.020 2 136 34 15 LEU HD2 H -0.400 0.020 2 137 34 15 LEU CA C 57.778 0.3 1 138 34 15 LEU CB C 41.959 0.3 1 139 34 15 LEU CG C 26.654 0.3 1 140 34 15 LEU CD1 C 24.216 0.3 1 141 34 15 LEU CD2 C 24.772 0.3 1 142 34 15 LEU N N 117.798 0.3 1 143 35 16 GLY H H 8.446 0.020 1 144 35 16 GLY HA2 H 3.844 0.020 2 145 35 16 GLY HA3 H 3.561 0.020 2 146 35 16 GLY CA C 48.064 0.3 1 147 35 16 GLY N N 107.881 0.3 1 148 36 17 ARG H H 8.644 0.020 1 149 36 17 ARG HA H 3.881 0.020 1 150 36 17 ARG HB2 H 2.093 0.020 1 151 36 17 ARG HB3 H 2.093 0.020 1 152 36 17 ARG HG2 H 1.909 0.020 1 153 36 17 ARG HG3 H 1.909 0.020 1 154 36 17 ARG HD2 H 3.345 0.020 2 155 36 17 ARG HD3 H 3.187 0.020 2 156 36 17 ARG HE H 7.763 0.020 1 157 36 17 ARG CA C 61.170 0.3 1 158 36 17 ARG CB C 30.024 0.3 1 159 36 17 ARG CG C 27.053 0.3 1 160 36 17 ARG CD C 43.952 0.3 1 161 36 17 ARG N N 120.901 0.3 1 162 37 18 GLU H H 7.841 0.020 1 163 37 18 GLU HA H 4.114 0.020 1 164 37 18 GLU HB2 H 2.038 0.020 1 165 37 18 GLU HB3 H 2.038 0.020 1 166 37 18 GLU HG2 H 2.386 0.020 2 167 37 18 GLU HG3 H 2.173 0.020 2 168 37 18 GLU CA C 59.331 0.3 1 169 37 18 GLU CB C 29.658 0.3 1 170 37 18 GLU CG C 35.805 0.3 1 171 37 18 GLU N N 117.852 0.3 1 172 38 19 TYR H H 8.920 0.020 1 173 38 19 TYR HA H 3.967 0.020 1 174 38 19 TYR HB2 H 3.381 0.020 2 175 38 19 TYR HB3 H 2.961 0.020 2 176 38 19 TYR HD1 H 6.721 0.020 1 177 38 19 TYR HD2 H 6.721 0.020 1 178 38 19 TYR HE1 H 6.591 0.020 1 179 38 19 TYR HE2 H 6.591 0.020 1 180 38 19 TYR CA C 61.522 0.3 1 181 38 19 TYR CB C 40.177 0.3 1 182 38 19 TYR CD1 C 132.726 0.3 1 183 38 19 TYR CE1 C 118.164 0.3 1 184 38 19 TYR N N 122.642 0.3 1 185 39 20 VAL H H 8.881 0.020 1 186 39 20 VAL HA H 3.464 0.020 1 187 39 20 VAL HB H 2.103 0.020 1 188 39 20 VAL HG1 H 0.837 0.020 2 189 39 20 VAL HG2 H 0.648 0.020 2 190 39 20 VAL CA C 67.795 0.3 1 191 39 20 VAL CB C 31.467 0.3 1 192 39 20 VAL CG1 C 22.535 0.3 1 193 39 20 VAL CG2 C 22.026 0.3 1 194 39 20 VAL N N 116.082 0.3 1 195 40 21 HIS H H 8.556 0.020 1 196 40 21 HIS HA H 4.179 0.020 1 197 40 21 HIS HB2 H 3.344 0.020 1 198 40 21 HIS HB3 H 3.344 0.020 1 199 40 21 HIS HD2 H 7.186 0.020 1 200 40 21 HIS HE1 H 8.490 0.020 1 201 40 21 HIS CA C 60.185 0.3 1 202 40 21 HIS CB C 28.975 0.3 1 203 40 21 HIS CD2 C 119.780 0.3 1 204 40 21 HIS CE1 C 137.040 0.3 1 205 40 21 HIS N N 117.342 0.3 1 206 41 22 ALA H H 7.956 0.020 1 207 41 22 ALA HA H 3.950 0.020 1 208 41 22 ALA HB H 1.454 0.020 1 209 41 22 ALA CA C 55.772 0.3 1 210 41 22 ALA CB C 19.296 0.3 1 211 41 22 ALA N N 119.560 0.3 1 212 42 23 ARG H H 8.006 0.020 1 213 42 23 ARG HA H 3.947 0.020 1 214 42 23 ARG HB2 H 1.926 0.020 2 215 42 23 ARG HB3 H 1.864 0.020 2 216 42 23 ARG HG2 H 1.800 0.020 2 217 42 23 ARG HG3 H 1.456 0.020 2 218 42 23 ARG HD2 H 3.372 0.020 2 219 42 23 ARG HD3 H 3.138 0.020 2 220 42 23 ARG HE H 7.036 0.020 1 221 42 23 ARG CA C 57.456 0.3 1 222 42 23 ARG CB C 28.924 0.3 1 223 42 23 ARG CG C 27.143 0.3 1 224 42 23 ARG CD C 43.927 0.3 1 225 42 23 ARG N N 117.253 0.3 1 226 43 24 LEU H H 8.823 0.020 1 227 43 24 LEU HA H 3.931 0.020 1 228 43 24 LEU HB2 H 2.012 0.020 2 229 43 24 LEU HB3 H 1.272 0.020 2 230 43 24 LEU HG H 1.739 0.020 1 231 43 24 LEU HD1 H 0.721 0.020 2 232 43 24 LEU HD2 H 0.679 0.020 2 233 43 24 LEU CA C 59.191 0.3 1 234 43 24 LEU CB C 41.144 0.3 1 235 43 24 LEU CG C 27.235 0.3 1 236 43 24 LEU CD1 C 25.468 0.3 1 237 43 24 LEU CD2 C 27.692 0.3 1 238 43 24 LEU N N 122.579 0.3 1 239 44 25 LEU H H 7.997 0.020 1 240 44 25 LEU HA H 4.152 0.020 1 241 44 25 LEU HB2 H 1.674 0.020 2 242 44 25 LEU HB3 H 1.578 0.020 2 243 44 25 LEU HG H 1.601 0.020 1 244 44 25 LEU HD1 H 0.860 0.020 2 245 44 25 LEU HD2 H 0.780 0.020 2 246 44 25 LEU CA C 58.427 0.3 1 247 44 25 LEU CB C 42.061 0.3 1 248 44 25 LEU CG C 27.409 0.3 1 249 44 25 LEU CD1 C 24.178 0.3 1 250 44 25 LEU CD2 C 24.764 0.3 1 251 44 25 LEU N N 119.730 0.3 1 252 45 26 ARG H H 7.716 0.020 1 253 45 26 ARG HA H 4.040 0.020 1 254 45 26 ARG HB2 H 1.957 0.020 1 255 45 26 ARG HB3 H 1.957 0.020 1 256 45 26 ARG HG2 H 1.784 0.020 1 257 45 26 ARG HG3 H 1.784 0.020 1 258 45 26 ARG HD2 H 3.158 0.020 1 259 45 26 ARG HD3 H 3.158 0.020 1 260 45 26 ARG HE H 7.297 0.020 1 261 45 26 ARG CA C 59.384 0.3 1 262 45 26 ARG CB C 30.605 0.3 1 263 45 26 ARG CG C 27.115 0.3 1 264 45 26 ARG CD C 43.954 0.3 1 265 45 26 ARG N N 120.221 0.3 1 266 46 27 ALA H H 7.391 0.020 1 267 46 27 ALA HA H 4.417 0.020 1 268 46 27 ALA HB H 1.519 0.020 1 269 46 27 ALA CA C 52.335 0.3 1 270 46 27 ALA CB C 19.705 0.3 1 271 46 27 ALA N N 118.978 0.3 1 272 47 28 GLY H H 7.963 0.020 1 273 47 28 GLY HA2 H 4.067 0.020 2 274 47 28 GLY HA3 H 3.840 0.020 2 275 47 28 GLY CA C 46.226 0.3 1 276 47 28 GLY N N 107.592 0.3 1 277 48 29 LEU H H 7.967 0.020 1 278 48 29 LEU HA H 4.655 0.020 1 279 48 29 LEU HB2 H 1.628 0.020 2 280 48 29 LEU HB3 H 1.470 0.020 2 281 48 29 LEU HG H 1.538 0.020 1 282 48 29 LEU HD1 H 0.913 0.020 2 283 48 29 LEU HD2 H 0.884 0.020 2 284 48 29 LEU CA C 53.499 0.3 1 285 48 29 LEU CB C 44.259 0.3 1 286 48 29 LEU CG C 26.664 0.3 1 287 48 29 LEU CD1 C 28.020 0.3 1 288 48 29 LEU CD2 C 23.086 0.3 1 289 48 29 LEU N N 120.273 0.3 1 290 49 30 SER H H 8.211 0.020 1 291 49 30 SER HA H 4.511 0.020 1 292 49 30 SER HB2 H 3.746 0.020 1 293 49 30 SER HB3 H 3.746 0.020 1 294 49 30 SER CA C 58.325 0.3 1 295 49 30 SER CB C 64.704 0.3 1 296 49 30 SER N N 114.515 0.3 1 297 50 31 TRP H H 8.167 0.020 1 298 50 31 TRP HA H 4.679 0.020 1 299 50 31 TRP HB2 H 3.196 0.020 2 300 50 31 TRP HB3 H 3.051 0.020 2 301 50 31 TRP HD1 H 7.185 0.020 1 302 50 31 TRP HE1 H 10.072 0.020 1 303 50 31 TRP HE3 H 7.361 0.020 1 304 50 31 TRP HZ2 H 7.279 0.020 1 305 50 31 TRP HZ3 H 6.972 0.020 1 306 50 31 TRP HH2 H 7.026 0.020 1 307 50 31 TRP CA C 58.233 0.3 1 308 50 31 TRP CB C 31.646 0.3 1 309 50 31 TRP CD1 C 126.961 0.3 1 310 50 31 TRP CE3 C 121.237 0.3 1 311 50 31 TRP CZ2 C 114.715 0.3 1 312 50 31 TRP CZ3 C 120.818 0.3 1 313 50 31 TRP CH2 C 124.034 0.3 1 314 50 31 TRP N N 123.382 0.3 1 315 50 31 TRP NE1 N 129.651 0.3 1 316 51 32 SER H H 7.801 0.020 1 317 51 32 SER HA H 4.697 0.020 1 318 51 32 SER HB2 H 4.149 0.020 1 319 51 32 SER HB3 H 4.149 0.020 1 320 51 32 SER CA C 57.513 0.3 1 321 51 32 SER CB C 64.644 0.3 1 322 51 32 SER N N 120.858 0.3 1 323 52 33 ALA H H 7.666 0.020 1 324 52 33 ALA HA H 4.083 0.020 1 325 52 33 ALA HB H 1.059 0.020 1 326 52 33 ALA CA C 50.542 0.3 1 327 52 33 ALA CB C 18.761 0.3 1 328 52 33 ALA N N 126.616 0.3 1 329 53 34 PRO HA H 4.238 0.020 1 330 53 34 PRO HB2 H 2.185 0.020 2 331 53 34 PRO HB3 H 1.835 0.020 2 332 53 34 PRO HG2 H 1.924 0.020 1 333 53 34 PRO HG3 H 1.924 0.020 1 334 53 34 PRO HD2 H 3.610 0.020 1 335 53 34 PRO HD3 H 3.610 0.020 1 336 53 34 PRO CA C 64.013 0.3 1 337 53 34 PRO CB C 32.023 0.3 1 338 53 34 PRO CG C 27.577 0.3 1 339 53 34 PRO CD C 50.783 0.3 1 340 54 35 GLU H H 8.362 0.020 1 341 54 35 GLU HA H 4.167 0.020 1 342 54 35 GLU HB2 H 1.959 0.020 2 343 54 35 GLU HB3 H 1.869 0.020 2 344 54 35 GLU HG2 H 2.216 0.020 1 345 54 35 GLU HG3 H 2.216 0.020 1 346 54 35 GLU CA C 57.198 0.3 1 347 54 35 GLU CB C 30.132 0.3 1 348 54 35 GLU CG C 36.428 0.3 1 349 54 35 GLU N N 118.820 0.3 1 350 55 36 ARG H H 8.163 0.020 1 351 55 36 ARG HA H 4.205 0.020 1 352 55 36 ARG HB2 H 1.794 0.020 2 353 55 36 ARG HB3 H 1.665 0.020 2 354 55 36 ARG HG2 H 1.535 0.020 1 355 55 36 ARG HG3 H 1.535 0.020 1 356 55 36 ARG HD2 H 3.114 0.020 1 357 55 36 ARG HD3 H 3.114 0.020 1 358 55 36 ARG HE H 7.225 0.020 1 359 55 36 ARG CA C 56.585 0.3 1 360 55 36 ARG CB C 30.308 0.3 1 361 55 36 ARG CG C 27.718 0.3 1 362 55 36 ARG CD C 43.280 0.3 1 363 55 36 ARG N N 120.604 0.3 1 364 56 37 ALA H H 8.059 0.020 1 365 56 37 ALA HA H 4.244 0.020 1 366 56 37 ALA HB H 1.306 0.020 1 367 56 37 ALA CA C 52.563 0.3 1 368 56 37 ALA CB C 19.384 0.3 1 369 56 37 ALA N N 125.206 0.3 1 370 57 38 ALA H H 8.008 0.020 1 371 57 38 ALA HA H 4.548 0.020 1 372 57 38 ALA HB H 1.314 0.020 1 373 57 38 ALA CA C 50.600 0.3 1 374 57 38 ALA CB C 18.453 0.3 1 375 57 38 ALA N N 124.045 0.3 1 376 58 39 PRO HA H 4.407 0.020 1 377 58 39 PRO HB2 H 2.242 0.020 2 378 58 39 PRO HB3 H 1.783 0.020 2 379 58 39 PRO HG2 H 1.980 0.020 1 380 58 39 PRO HG3 H 1.980 0.020 1 381 58 39 PRO HD2 H 3.758 0.020 2 382 58 39 PRO HD3 H 3.573 0.020 2 383 58 39 PRO CA C 62.967 0.3 1 384 58 39 PRO CB C 32.342 0.3 1 385 58 39 PRO CG C 27.619 0.3 1 386 58 39 PRO CD C 50.842 0.3 1 387 59 40 VAL H H 8.310 0.020 1 388 59 40 VAL HA H 4.317 0.020 1 389 59 40 VAL HB H 1.969 0.020 1 390 59 40 VAL HG1 H 0.886 0.020 2 391 59 40 VAL HG2 H 0.876 0.020 2 392 59 40 VAL CA C 60.100 0.3 1 393 59 40 VAL CB C 32.796 0.3 1 394 59 40 VAL CG1 C 21.104 0.3 1 395 59 40 VAL CG2 C 22.010 0.3 1 396 59 40 VAL N N 121.620 0.3 1 397 60 41 PRO HA H 4.490 0.020 1 398 60 41 PRO HB2 H 2.347 0.020 2 399 60 41 PRO HB3 H 1.933 0.020 2 400 60 41 PRO HG2 H 2.025 0.020 1 401 60 41 PRO HG3 H 2.025 0.020 1 402 60 41 PRO HD2 H 3.914 0.020 2 403 60 41 PRO HD3 H 3.528 0.020 2 404 60 41 PRO CA C 63.225 0.3 1 405 60 41 PRO CB C 32.847 0.3 1 406 60 41 PRO CG C 27.647 0.3 1 407 60 41 PRO CD C 51.300 0.3 1 408 61 42 GLY H H 8.580 0.020 1 409 61 42 GLY HA2 H 4.008 0.020 2 410 61 42 GLY HA3 H 3.816 0.020 2 411 61 42 GLY CA C 47.354 0.3 1 412 61 42 GLY N N 108.925 0.3 1 413 62 43 ARG H H 8.809 0.020 1 414 62 43 ARG HA H 4.355 0.020 1 415 62 43 ARG HB2 H 1.938 0.020 2 416 62 43 ARG HB3 H 1.738 0.020 2 417 62 43 ARG HG2 H 1.692 0.020 1 418 62 43 ARG HG3 H 1.692 0.020 1 419 62 43 ARG HD2 H 3.234 0.020 1 420 62 43 ARG HD3 H 3.234 0.020 1 421 62 43 ARG HE H 7.199 0.020 1 422 62 43 ARG CA C 57.925 0.3 1 423 62 43 ARG CB C 29.960 0.3 1 424 62 43 ARG CG C 26.985 0.3 1 425 62 43 ARG CD C 43.837 0.3 1 426 62 43 ARG N N 121.089 0.3 1 427 63 44 LEU H H 7.704 0.020 1 428 63 44 LEU HA H 4.017 0.020 1 429 63 44 LEU HB2 H 1.721 0.020 2 430 63 44 LEU HB3 H 1.434 0.020 2 431 63 44 LEU HG H 1.653 0.020 1 432 63 44 LEU HD1 H 0.826 0.020 2 433 63 44 LEU HD2 H 0.754 0.020 2 434 63 44 LEU CA C 57.219 0.3 1 435 63 44 LEU CB C 41.512 0.3 1 436 63 44 LEU CG C 27.105 0.3 1 437 63 44 LEU CD1 C 25.414 0.3 1 438 63 44 LEU CD2 C 23.629 0.3 1 439 63 44 LEU N N 118.027 0.3 1 440 64 45 ALA H H 8.128 0.020 1 441 64 45 ALA HA H 3.942 0.020 1 442 64 45 ALA HB H 1.422 0.020 1 443 64 45 ALA CA C 55.727 0.3 1 444 64 45 ALA CB C 18.069 0.3 1 445 64 45 ALA N N 122.520 0.3 1 446 65 46 GLU H H 7.784 0.020 1 447 65 46 GLU HA H 4.033 0.020 1 448 65 46 GLU HB2 H 2.185 0.020 1 449 65 46 GLU HB3 H 2.185 0.020 1 450 65 46 GLU HG2 H 2.272 0.020 1 451 65 46 GLU HG3 H 2.272 0.020 1 452 65 46 GLU CA C 59.412 0.3 1 453 65 46 GLU CB C 29.975 0.3 1 454 65 46 GLU CG C 36.374 0.3 1 455 65 46 GLU N N 118.624 0.3 1 456 66 47 VAL H H 7.512 0.020 1 457 66 47 VAL HA H 3.299 0.020 1 458 66 47 VAL HB H 2.220 0.020 1 459 66 47 VAL HG1 H 0.928 0.020 1 460 66 47 VAL HG2 H 0.928 0.020 1 461 66 47 VAL CA C 66.974 0.3 1 462 66 47 VAL CB C 31.642 0.3 1 463 66 47 VAL CG1 C 22.877 0.3 1 464 66 47 VAL CG2 C 23.006 0.3 1 465 66 47 VAL N N 119.318 0.3 1 466 67 48 ALA H H 8.434 0.020 1 467 67 48 ALA HA H 3.715 0.020 1 468 67 48 ALA HB H 1.356 0.020 1 469 67 48 ALA CA C 56.124 0.3 1 470 67 48 ALA CB C 17.578 0.3 1 471 67 48 ALA N N 120.960 0.3 1 472 68 49 ALA H H 7.483 0.020 1 473 68 49 ALA HA H 4.009 0.020 1 474 68 49 ALA HB H 1.455 0.020 1 475 68 49 ALA CA C 55.391 0.3 1 476 68 49 ALA CB C 18.241 0.3 1 477 68 49 ALA N N 117.054 0.3 1 478 69 50 VAL H H 7.684 0.020 1 479 69 50 VAL HA H 3.640 0.020 1 480 69 50 VAL HB H 1.992 0.020 1 481 69 50 VAL HG1 H 1.019 0.020 2 482 69 50 VAL HG2 H 0.834 0.020 2 483 69 50 VAL CA C 67.312 0.3 1 484 69 50 VAL CB C 31.562 0.3 1 485 69 50 VAL CG1 C 24.240 0.3 1 486 69 50 VAL CG2 C 22.467 0.3 1 487 69 50 VAL N N 120.387 0.3 1 488 70 51 LEU H H 8.578 0.020 1 489 70 51 LEU HA H 3.961 0.020 1 490 70 51 LEU HB2 H 1.979 0.020 2 491 70 51 LEU HB3 H 1.368 0.020 2 492 70 51 LEU HG H 1.855 0.020 1 493 70 51 LEU HD1 H 0.443 0.020 2 494 70 51 LEU HD2 H 0.875 0.020 2 495 70 51 LEU CA C 59.007 0.3 1 496 70 51 LEU CB C 42.140 0.3 1 497 70 51 LEU CG C 26.499 0.3 1 498 70 51 LEU CD1 C 26.262 0.3 1 499 70 51 LEU CD2 C 22.591 0.3 1 500 70 51 LEU N N 119.409 0.3 1 501 71 52 LEU H H 8.184 0.020 1 502 71 52 LEU HA H 3.761 0.020 1 503 71 52 LEU HB2 H 1.626 0.020 2 504 71 52 LEU HB3 H 1.317 0.020 2 505 71 52 LEU HG H 1.290 0.020 1 506 71 52 LEU HD1 H 0.578 0.020 2 507 71 52 LEU HD2 H 0.224 0.020 2 508 71 52 LEU CA C 58.332 0.3 1 509 71 52 LEU CB C 42.433 0.3 1 510 71 52 LEU CG C 27.882 0.3 1 511 71 52 LEU CD1 C 25.190 0.3 1 512 71 52 LEU CD2 C 23.625 0.3 1 513 71 52 LEU N N 118.132 0.3 1 514 72 53 ARG H H 7.734 0.020 1 515 72 53 ARG HA H 4.103 0.020 1 516 72 53 ARG HB2 H 1.960 0.020 1 517 72 53 ARG HB3 H 1.960 0.020 1 518 72 53 ARG HG2 H 1.619 0.020 1 519 72 53 ARG HG3 H 1.619 0.020 1 520 72 53 ARG HD2 H 3.208 0.020 1 521 72 53 ARG HD3 H 3.208 0.020 1 522 72 53 ARG HE H 7.179 0.020 1 523 72 53 ARG CA C 60.054 0.3 1 524 72 53 ARG CB C 30.076 0.3 1 525 72 53 ARG CG C 27.361 0.3 1 526 72 53 ARG CD C 44.165 0.3 1 527 72 53 ARG N N 120.837 0.3 1 528 73 54 LEU H H 8.910 0.020 1 529 73 54 LEU HA H 4.095 0.020 1 530 73 54 LEU HB2 H 2.065 0.020 2 531 73 54 LEU HB3 H 1.492 0.020 2 532 73 54 LEU HG H 1.888 0.020 1 533 73 54 LEU HD1 H 0.860 0.020 2 534 73 54 LEU HD2 H 0.760 0.020 2 535 73 54 LEU CA C 58.014 0.3 1 536 73 54 LEU CB C 42.298 0.3 1 537 73 54 LEU CG C 27.374 0.3 1 538 73 54 LEU CD1 C 22.667 0.3 1 539 73 54 LEU CD2 C 23.610 0.3 1 540 73 54 LEU N N 120.067 0.3 1 541 74 55 GLY H H 8.988 0.020 1 542 74 55 GLY HA2 H 4.144 0.020 2 543 74 55 GLY HA3 H 3.583 0.020 2 544 74 55 GLY CA C 47.464 0.3 1 545 74 55 GLY N N 110.963 0.3 1 546 75 56 ASP H H 8.408 0.020 1 547 75 56 ASP HA H 4.356 0.020 1 548 75 56 ASP HB2 H 2.994 0.020 2 549 75 56 ASP HB3 H 2.611 0.020 2 550 75 56 ASP CA C 57.723 0.3 1 551 75 56 ASP CB C 40.381 0.3 1 552 75 56 ASP N N 123.671 0.3 1 553 76 57 GLU H H 7.736 0.020 1 554 76 57 GLU HA H 4.044 0.020 1 555 76 57 GLU HB2 H 2.106 0.020 1 556 76 57 GLU HB3 H 2.106 0.020 1 557 76 57 GLU HG2 H 2.519 0.020 1 558 76 57 GLU HG3 H 2.519 0.020 1 559 76 57 GLU CA C 59.554 0.3 1 560 76 57 GLU CB C 29.472 0.3 1 561 76 57 GLU CG C 36.323 0.3 1 562 76 57 GLU N N 119.499 0.3 1 563 77 58 LEU H H 7.957 0.020 1 564 77 58 LEU HA H 4.073 0.020 1 565 77 58 LEU HB2 H 1.658 0.020 2 566 77 58 LEU HB3 H 1.589 0.020 2 567 77 58 LEU HG H 1.598 0.020 1 568 77 58 LEU HD1 H 0.874 0.020 2 569 77 58 LEU HD2 H 0.771 0.020 2 570 77 58 LEU CA C 58.343 0.3 1 571 77 58 LEU CB C 42.160 0.3 1 572 77 58 LEU CG C 27.297 0.3 1 573 77 58 LEU CD1 C 24.969 0.3 1 574 77 58 LEU CD2 C 24.812 0.3 1 575 77 58 LEU N N 120.063 0.3 1 576 78 59 GLU H H 7.997 0.020 1 577 78 59 GLU HA H 3.837 0.020 1 578 78 59 GLU HB2 H 1.998 0.020 1 579 78 59 GLU HB3 H 1.998 0.020 1 580 78 59 GLU HG2 H 2.361 0.020 2 581 78 59 GLU HG3 H 2.038 0.020 2 582 78 59 GLU CA C 59.141 0.3 1 583 78 59 GLU CB C 30.102 0.3 1 584 78 59 GLU CG C 37.052 0.3 1 585 78 59 GLU N N 117.206 0.3 1 586 79 60 MET H H 7.524 0.020 1 587 79 60 MET HA H 4.242 0.020 1 588 79 60 MET HB2 H 2.174 0.020 2 589 79 60 MET HB3 H 2.135 0.020 2 590 79 60 MET HG2 H 2.678 0.020 2 591 79 60 MET HG3 H 2.588 0.020 2 592 79 60 MET HE H 2.056 0.020 1 593 79 60 MET CA C 57.553 0.3 1 594 79 60 MET CB C 32.793 0.3 1 595 79 60 MET CG C 32.370 0.3 1 596 79 60 MET CE C 17.347 0.3 1 597 79 60 MET N N 114.962 0.3 1 598 80 61 ILE H H 7.592 0.020 1 599 80 61 ILE HA H 4.102 0.020 1 600 80 61 ILE HB H 1.954 0.020 1 601 80 61 ILE HG12 H 1.655 0.020 2 602 80 61 ILE HG13 H 1.321 0.020 2 603 80 61 ILE HG2 H 0.988 0.020 1 604 80 61 ILE HD1 H 0.876 0.020 1 605 80 61 ILE CA C 63.141 0.3 1 606 80 61 ILE CB C 39.125 0.3 1 607 80 61 ILE CG1 C 28.296 0.3 1 608 80 61 ILE CG2 C 18.123 0.3 1 609 80 61 ILE CD1 C 13.439 0.3 1 610 80 61 ILE N N 116.857 0.3 1 611 81 62 ARG H H 7.822 0.020 1 612 81 62 ARG HA H 4.815 0.020 1 613 81 62 ARG HB2 H 1.869 0.020 1 614 81 62 ARG HB3 H 1.869 0.020 1 615 81 62 ARG HG2 H 1.679 0.020 1 616 81 62 ARG HG3 H 1.679 0.020 1 617 81 62 ARG HD2 H 3.214 0.020 1 618 81 62 ARG HD3 H 3.214 0.020 1 619 81 62 ARG HE H 7.356 0.020 1 620 81 62 ARG CA C 54.251 0.3 1 621 81 62 ARG CB C 31.080 0.3 1 622 81 62 ARG CG C 27.815 0.3 1 623 81 62 ARG CD C 43.899 0.3 1 624 81 62 ARG N N 119.424 0.3 1 625 82 63 PRO HA H 4.547 0.020 1 626 82 63 PRO HB2 H 2.392 0.020 2 627 82 63 PRO HB3 H 1.925 0.020 2 628 82 63 PRO HG2 H 2.064 0.020 1 629 82 63 PRO HG3 H 2.064 0.020 1 630 82 63 PRO HD2 H 3.815 0.020 2 631 82 63 PRO HD3 H 3.641 0.020 2 632 82 63 PRO CA C 65.386 0.3 1 633 82 63 PRO CB C 32.314 0.3 1 634 82 63 PRO CG C 27.705 0.3 1 635 82 63 PRO CD C 50.828 0.3 1 636 83 64 SER H H 8.320 0.020 1 637 83 64 SER HA H 4.125 0.020 1 638 83 64 SER HB2 H 3.934 0.020 2 639 83 64 SER HB3 H 3.858 0.020 2 640 83 64 SER CA C 60.938 0.3 1 641 83 64 SER CB C 63.460 0.3 1 642 83 64 SER N N 112.227 0.3 1 643 84 65 VAL H H 7.436 0.020 1 644 84 65 VAL HA H 3.713 0.020 1 645 84 65 VAL HB H 1.692 0.020 1 646 84 65 VAL HG1 H 0.740 0.020 2 647 84 65 VAL HG2 H 0.342 0.020 2 648 84 65 VAL CA C 64.996 0.3 1 649 84 65 VAL CB C 32.382 0.3 1 650 84 65 VAL CG1 C 22.346 0.3 1 651 84 65 VAL CG2 C 20.735 0.3 1 652 84 65 VAL N N 120.156 0.3 1 653 85 66 TYR H H 7.350 0.020 1 654 85 66 TYR HA H 4.371 0.020 1 655 85 66 TYR HB2 H 3.236 0.020 2 656 85 66 TYR HB3 H 2.618 0.020 2 657 85 66 TYR HD1 H 6.960 0.020 1 658 85 66 TYR HD2 H 6.960 0.020 1 659 85 66 TYR HE1 H 6.701 0.020 1 660 85 66 TYR HE2 H 6.701 0.020 1 661 85 66 TYR CA C 58.895 0.3 1 662 85 66 TYR CB C 38.979 0.3 1 663 85 66 TYR CD1 C 133.360 0.3 1 664 85 66 TYR CE1 C 118.696 0.3 1 665 85 66 TYR N N 115.099 0.3 1 666 86 67 ARG H H 7.537 0.020 1 667 86 67 ARG HA H 4.400 0.020 1 668 86 67 ARG HB2 H 1.790 0.020 1 669 86 67 ARG HB3 H 1.790 0.020 1 670 86 67 ARG HG2 H 1.611 0.020 1 671 86 67 ARG HG3 H 1.611 0.020 1 672 86 67 ARG HD2 H 3.195 0.020 1 673 86 67 ARG HD3 H 3.195 0.020 1 674 86 67 ARG HE H 7.191 0.020 1 675 86 67 ARG CA C 56.144 0.3 1 676 86 67 ARG CB C 32.223 0.3 1 677 86 67 ARG CG C 27.718 0.3 1 678 86 67 ARG CD C 43.905 0.3 1 679 86 67 ARG N N 118.429 0.3 1 680 87 68 ASN H H 8.563 0.020 1 681 87 68 ASN HA H 4.623 0.020 1 682 87 68 ASN HB2 H 2.840 0.020 1 683 87 68 ASN HB3 H 2.840 0.020 1 684 87 68 ASN HD21 H 7.690 0.020 1 685 87 68 ASN HD22 H 6.954 0.020 1 686 87 68 ASN CA C 54.519 0.3 1 687 87 68 ASN CB C 38.203 0.3 1 688 87 68 ASN N N 119.241 0.3 1 689 87 68 ASN ND2 N 113.854 0.3 1 690 88 69 VAL H H 8.043 0.020 1 691 88 69 VAL HA H 3.445 0.020 1 692 88 69 VAL HB H 1.782 0.020 1 693 88 69 VAL HG1 H 0.958 0.020 2 694 88 69 VAL HG2 H 0.896 0.020 2 695 88 69 VAL CA C 66.920 0.3 1 696 88 69 VAL CB C 32.383 0.3 1 697 88 69 VAL CG1 C 23.123 0.3 1 698 88 69 VAL CG2 C 22.494 0.3 1 699 88 69 VAL N N 120.226 0.3 1 700 89 70 ALA H H 8.856 0.020 1 701 89 70 ALA HA H 3.765 0.020 1 702 89 70 ALA HB H 1.324 0.020 1 703 89 70 ALA CA C 56.073 0.3 1 704 89 70 ALA CB C 17.922 0.3 1 705 89 70 ALA N N 121.716 0.3 1 706 90 71 ARG H H 7.919 0.020 1 707 90 71 ARG HA H 4.000 0.020 1 708 90 71 ARG HB2 H 1.775 0.020 1 709 90 71 ARG HB3 H 1.775 0.020 1 710 90 71 ARG HG2 H 1.556 0.020 1 711 90 71 ARG HG3 H 1.556 0.020 1 712 90 71 ARG HD2 H 3.097 0.020 1 713 90 71 ARG HD3 H 3.097 0.020 1 714 90 71 ARG HE H 7.287 0.020 1 715 90 71 ARG CA C 58.903 0.3 1 716 90 71 ARG CB C 30.414 0.3 1 717 90 71 ARG CG C 27.480 0.3 1 718 90 71 ARG CD C 43.733 0.3 1 719 90 71 ARG N N 116.360 0.3 1 720 91 72 GLN H H 7.894 0.020 1 721 91 72 GLN HA H 3.988 0.020 1 722 91 72 GLN HB2 H 2.091 0.020 1 723 91 72 GLN HB3 H 2.091 0.020 1 724 91 72 GLN HG2 H 2.490 0.020 2 725 91 72 GLN HG3 H 2.285 0.020 2 726 91 72 GLN HE21 H 7.190 0.020 1 727 91 72 GLN HE22 H 6.917 0.020 1 728 91 72 GLN CA C 58.803 0.3 1 729 91 72 GLN CB C 30.027 0.3 1 730 91 72 GLN CG C 34.953 0.3 1 731 91 72 GLN N N 118.415 0.3 1 732 91 72 GLN NE2 N 112.426 0.3 1 733 92 73 LEU H H 7.915 0.020 1 734 92 73 LEU HA H 4.191 0.020 1 735 92 73 LEU HB2 H 1.698 0.020 2 736 92 73 LEU HB3 H 1.566 0.020 2 737 92 73 LEU HG H 1.746 0.020 1 738 92 73 LEU HD1 H 0.746 0.020 2 739 92 73 LEU HD2 H 0.817 0.020 2 740 92 73 LEU CA C 55.160 0.3 1 741 92 73 LEU CB C 42.170 0.3 1 742 92 73 LEU CG C 27.120 0.3 1 743 92 73 LEU CD1 C 26.442 0.3 1 744 92 73 LEU CD2 C 26.018 0.3 1 745 92 73 LEU N N 116.619 0.3 1 746 93 74 HIS H H 7.733 0.020 1 747 93 74 HIS HA H 4.270 0.020 1 748 93 74 HIS HB2 H 3.385 0.020 2 749 93 74 HIS HB3 H 3.284 0.020 2 750 93 74 HIS HD2 H 7.207 0.020 1 751 93 74 HIS CA C 56.364 0.3 1 752 93 74 HIS CB C 26.613 0.3 1 753 93 74 HIS CD2 C 119.789 0.3 1 754 93 74 HIS N N 115.729 0.3 1 755 94 75 ILE H H 8.020 0.020 1 756 94 75 ILE HA H 4.358 0.020 1 757 94 75 ILE HB H 1.742 0.020 1 758 94 75 ILE HG12 H 1.417 0.020 2 759 94 75 ILE HG13 H 0.953 0.020 2 760 94 75 ILE HG2 H 0.805 0.020 1 761 94 75 ILE HD1 H 0.759 0.020 1 762 94 75 ILE CA C 60.941 0.3 1 763 94 75 ILE CB C 40.799 0.3 1 764 94 75 ILE CG1 C 26.588 0.3 1 765 94 75 ILE CG2 C 18.005 0.3 1 766 94 75 ILE CD1 C 14.439 0.3 1 767 94 75 ILE N N 115.847 0.3 1 768 95 76 SER H H 8.175 0.020 1 769 95 76 SER HA H 4.440 0.020 1 770 95 76 SER HB2 H 3.864 0.020 2 771 95 76 SER HB3 H 3.784 0.020 2 772 95 76 SER CA C 57.977 0.3 1 773 95 76 SER CB C 64.309 0.3 1 774 95 76 SER N N 118.776 0.3 1 775 96 77 LEU H H 8.357 0.020 1 776 96 77 LEU HA H 4.322 0.020 1 777 96 77 LEU HB2 H 1.606 0.020 2 778 96 77 LEU HB3 H 1.531 0.020 2 779 96 77 LEU HG H 1.549 0.020 1 780 96 77 LEU HD1 H 0.730 0.020 2 781 96 77 LEU HD2 H 0.711 0.020 2 782 96 77 LEU CA C 54.371 0.3 1 783 96 77 LEU CB C 40.620 0.3 1 784 96 77 LEU CG C 27.111 0.3 1 785 96 77 LEU CD1 C 26.023 0.3 1 786 96 77 LEU CD2 C 24.293 0.3 1 787 96 77 LEU N N 123.945 0.3 1 788 97 78 GLN H H 7.615 0.020 1 789 97 78 GLN HA H 4.165 0.020 1 790 97 78 GLN HB2 H 2.045 0.020 2 791 97 78 GLN HB3 H 1.888 0.020 2 792 97 78 GLN HG2 H 2.292 0.020 1 793 97 78 GLN HG3 H 2.292 0.020 1 794 97 78 GLN HE21 H 7.256 0.020 1 795 97 78 GLN HE22 H 6.758 0.020 1 796 97 78 GLN CA C 57.407 0.3 1 797 97 78 GLN CB C 30.601 0.3 1 798 97 78 GLN CG C 34.413 0.3 1 799 97 78 GLN N N 115.684 0.3 1 800 97 78 GLN NE2 N 110.483 0.3 1 801 98 79 SER H H 7.863 0.020 1 802 98 79 SER HA H 3.773 0.020 1 803 98 79 SER HB2 H 3.966 0.020 2 804 98 79 SER HB3 H 3.838 0.020 2 805 98 79 SER CA C 56.025 0.3 1 806 98 79 SER CB C 64.680 0.3 1 807 98 79 SER N N 112.089 0.3 1 808 99 80 GLU H H 9.258 0.020 1 809 99 80 GLU HA H 3.894 0.020 1 810 99 80 GLU HB2 H 2.008 0.020 1 811 99 80 GLU HB3 H 2.008 0.020 1 812 99 80 GLU HG2 H 2.344 0.020 2 813 99 80 GLU HG3 H 2.224 0.020 2 814 99 80 GLU CA C 60.595 0.3 1 815 99 80 GLU CB C 30.023 0.3 1 816 99 80 GLU CG C 36.848 0.3 1 817 99 80 GLU N N 126.805 0.3 1 818 100 81 ARG H H 8.317 0.020 1 819 100 81 ARG HA H 4.048 0.020 1 820 100 81 ARG HB2 H 1.868 0.020 1 821 100 81 ARG HB3 H 1.868 0.020 1 822 100 81 ARG HG2 H 1.655 0.020 1 823 100 81 ARG HG3 H 1.655 0.020 1 824 100 81 ARG HD2 H 3.195 0.020 1 825 100 81 ARG HD3 H 3.195 0.020 1 826 100 81 ARG HE H 7.419 0.020 1 827 100 81 ARG CA C 59.100 0.3 1 828 100 81 ARG CB C 30.480 0.3 1 829 100 81 ARG CG C 27.109 0.3 1 830 100 81 ARG CD C 43.470 0.3 1 831 100 81 ARG N N 119.905 0.3 1 832 101 82 VAL H H 7.237 0.020 1 833 101 82 VAL HA H 3.799 0.020 1 834 101 82 VAL HB H 2.209 0.020 1 835 101 82 VAL HG1 H 1.049 0.020 2 836 101 82 VAL HG2 H 1.055 0.020 2 837 101 82 VAL CA C 65.843 0.3 1 838 101 82 VAL CB C 32.329 0.3 1 839 101 82 VAL CG1 C 21.629 0.3 1 840 101 82 VAL CG2 C 22.899 0.3 1 841 101 82 VAL N N 118.195 0.3 1 842 102 83 VAL H H 7.972 0.020 1 843 102 83 VAL HA H 3.605 0.020 1 844 102 83 VAL HB H 2.140 0.020 1 845 102 83 VAL HG1 H 1.121 0.020 2 846 102 83 VAL HG2 H 0.827 0.020 2 847 102 83 VAL CA C 67.043 0.3 1 848 102 83 VAL CB C 32.293 0.3 1 849 102 83 VAL CG1 C 24.790 0.3 1 850 102 83 VAL CG2 C 21.416 0.3 1 851 102 83 VAL N N 119.887 0.3 1 852 103 84 THR H H 8.440 0.020 1 853 103 84 THR HA H 3.774 0.020 1 854 103 84 THR HB H 4.251 0.020 1 855 103 84 THR HG2 H 1.211 0.020 1 856 103 84 THR CA C 67.729 0.3 1 857 103 84 THR CB C 68.646 0.3 1 858 103 84 THR CG2 C 22.530 0.3 1 859 103 84 THR N N 113.612 0.3 1 860 104 85 ASP H H 8.375 0.020 1 861 104 85 ASP HA H 4.434 0.020 1 862 104 85 ASP HB2 H 2.859 0.020 2 863 104 85 ASP HB3 H 2.588 0.020 2 864 104 85 ASP CA C 57.815 0.3 1 865 104 85 ASP CB C 40.131 0.3 1 866 104 85 ASP N N 121.616 0.3 1 867 105 86 ALA H H 8.128 0.020 1 868 105 86 ALA HA H 4.197 0.020 1 869 105 86 ALA HB H 1.538 0.020 1 870 105 86 ALA CA C 55.397 0.3 1 871 105 86 ALA CB C 19.077 0.3 1 872 105 86 ALA N N 123.086 0.3 1 873 106 87 PHE H H 8.557 0.020 1 874 106 87 PHE HA H 3.909 0.020 1 875 106 87 PHE HB2 H 3.128 0.020 2 876 106 87 PHE HB3 H 2.957 0.020 2 877 106 87 PHE HD1 H 6.877 0.020 1 878 106 87 PHE HD2 H 6.877 0.020 1 879 106 87 PHE HE1 H 6.942 0.020 1 880 106 87 PHE HE2 H 6.942 0.020 1 881 106 87 PHE HZ H 6.927 0.020 1 882 106 87 PHE CA C 61.350 0.3 1 883 106 87 PHE CB C 39.317 0.3 1 884 106 87 PHE CD1 C 131.823 0.3 1 885 106 87 PHE CE1 C 131.462 0.3 1 886 106 87 PHE CZ C 130.034 0.3 1 887 106 87 PHE N N 118.697 0.3 1 888 107 88 LEU H H 8.542 0.020 1 889 107 88 LEU HA H 3.542 0.020 1 890 107 88 LEU HB2 H 1.963 0.020 2 891 107 88 LEU HB3 H 1.429 0.020 2 892 107 88 LEU HG H 2.001 0.020 1 893 107 88 LEU HD1 H 1.010 0.020 2 894 107 88 LEU HD2 H 0.980 0.020 2 895 107 88 LEU CA C 57.938 0.3 1 896 107 88 LEU CB C 41.563 0.3 1 897 107 88 LEU CG C 27.700 0.3 1 898 107 88 LEU CD1 C 25.976 0.3 1 899 107 88 LEU CD2 C 23.162 0.3 1 900 107 88 LEU N N 118.200 0.3 1 901 108 89 ALA H H 7.916 0.020 1 902 108 89 ALA HA H 4.114 0.020 1 903 108 89 ALA HB H 1.485 0.020 1 904 108 89 ALA CA C 55.393 0.3 1 905 108 89 ALA CB C 18.274 0.3 1 906 108 89 ALA N N 123.713 0.3 1 907 109 90 VAL H H 7.763 0.020 1 908 109 90 VAL HA H 3.614 0.020 1 909 109 90 VAL HB H 2.042 0.020 1 910 109 90 VAL HG1 H 1.025 0.020 2 911 109 90 VAL HG2 H 0.871 0.020 2 912 109 90 VAL CA C 66.507 0.3 1 913 109 90 VAL CB C 31.734 0.3 1 914 109 90 VAL CG1 C 23.689 0.3 1 915 109 90 VAL CG2 C 21.883 0.3 1 916 109 90 VAL N N 120.377 0.3 1 917 110 91 ALA H H 8.341 0.020 1 918 110 91 ALA HA H 3.409 0.020 1 919 110 91 ALA HB H 0.001 0.020 1 920 110 91 ALA CA C 55.491 0.3 1 921 110 91 ALA CB C 17.251 0.3 1 922 110 91 ALA N N 122.843 0.3 1 923 111 92 GLY H H 7.879 0.020 1 924 111 92 GLY HA2 H 3.920 0.020 1 925 111 92 GLY HA3 H 3.920 0.020 1 926 111 92 GLY CA C 47.416 0.3 1 927 111 92 GLY N N 101.771 0.3 1 928 112 93 HIS H H 7.545 0.020 1 929 112 93 HIS HA H 4.521 0.020 1 930 112 93 HIS HB2 H 3.338 0.020 1 931 112 93 HIS HB3 H 3.338 0.020 1 932 112 93 HIS HD2 H 7.202 0.020 1 933 112 93 HIS CA C 58.864 0.3 1 934 112 93 HIS CB C 28.842 0.3 1 935 112 93 HIS CD2 C 120.219 0.3 1 936 112 93 HIS N N 118.418 0.3 1 937 113 94 ILE H H 8.325 0.020 1 938 113 94 ILE HA H 3.454 0.020 1 939 113 94 ILE HB H 1.664 0.020 1 940 113 94 ILE HG12 H 1.740 0.020 2 941 113 94 ILE HG13 H 0.820 0.020 2 942 113 94 ILE HG2 H -0.003 0.020 1 943 113 94 ILE HD1 H 0.576 0.020 1 944 113 94 ILE CA C 65.909 0.3 1 945 113 94 ILE CB C 38.056 0.3 1 946 113 94 ILE CG1 C 28.948 0.3 1 947 113 94 ILE CG2 C 16.928 0.3 1 948 113 94 ILE CD1 C 13.614 0.3 1 949 113 94 ILE N N 121.504 0.3 1 950 114 95 PHE H H 7.284 0.020 1 951 114 95 PHE HA H 4.537 0.020 1 952 114 95 PHE HB2 H 3.328 0.020 2 953 114 95 PHE HB3 H 2.753 0.020 2 954 114 95 PHE HD1 H 7.543 0.020 1 955 114 95 PHE HD2 H 7.543 0.020 1 956 114 95 PHE HE1 H 7.039 0.020 1 957 114 95 PHE HE2 H 7.039 0.020 1 958 114 95 PHE HZ H 7.035 0.020 1 959 114 95 PHE CA C 58.970 0.3 1 960 114 95 PHE CB C 38.514 0.3 1 961 114 95 PHE CD1 C 133.106 0.3 1 962 114 95 PHE CE1 C 131.474 0.3 1 963 114 95 PHE CZ C 129.303 0.3 1 964 114 95 PHE N N 113.899 0.3 1 965 115 96 SER H H 7.385 0.020 1 966 115 96 SER HA H 4.138 0.020 1 967 115 96 SER HB2 H 4.044 0.020 2 968 115 96 SER HB3 H 3.991 0.020 2 969 115 96 SER CA C 61.829 0.3 1 970 115 96 SER CB C 63.587 0.3 1 971 115 96 SER N N 116.429 0.3 1 972 116 97 ALA H H 8.452 0.020 1 973 116 97 ALA HA H 4.611 0.020 1 974 116 97 ALA HB H 1.313 0.020 1 975 116 97 ALA CA C 51.716 0.3 1 976 116 97 ALA CB C 19.237 0.3 1 977 116 97 ALA N N 123.069 0.3 1 978 117 98 GLY H H 7.432 0.020 1 979 117 98 GLY HA2 H 4.451 0.020 2 980 117 98 GLY HA3 H 3.702 0.020 2 981 117 98 GLY CA C 44.515 0.3 1 982 117 98 GLY N N 107.562 0.3 1 983 118 99 ILE H H 8.201 0.020 1 984 118 99 ILE HA H 3.765 0.020 1 985 118 99 ILE HB H 0.329 0.020 1 986 118 99 ILE HG12 H 1.370 0.020 2 987 118 99 ILE HG13 H 0.397 0.020 2 988 118 99 ILE HG2 H -1.035 0.020 1 989 118 99 ILE HD1 H 0.465 0.020 1 990 118 99 ILE CA C 62.911 0.3 1 991 118 99 ILE CB C 40.097 0.3 1 992 118 99 ILE CG1 C 27.085 0.3 1 993 118 99 ILE CG2 C 17.113 0.3 1 994 118 99 ILE CD1 C 14.831 0.3 1 995 118 99 ILE N N 118.470 0.3 1 996 119 100 THR H H 6.319 0.020 1 997 119 100 THR HA H 4.602 0.020 1 998 119 100 THR HB H 4.674 0.020 1 999 119 100 THR HG2 H 1.167 0.020 1 1000 119 100 THR CA C 58.771 0.3 1 1001 119 100 THR CB C 73.275 0.3 1 1002 119 100 THR CG2 C 22.641 0.3 1 1003 119 100 THR N N 113.543 0.3 1 1004 120 101 TRP H H 9.558 0.020 1 1005 120 101 TRP HA H 4.777 0.020 1 1006 120 101 TRP HB2 H 3.329 0.020 1 1007 120 101 TRP HB3 H 3.329 0.020 1 1008 120 101 TRP HD1 H 7.412 0.020 1 1009 120 101 TRP HE1 H 11.213 0.020 1 1010 120 101 TRP HE3 H 7.266 0.020 1 1011 120 101 TRP HZ2 H 7.208 0.020 1 1012 120 101 TRP HZ3 H 7.726 0.020 1 1013 120 101 TRP HH2 H 6.924 0.020 1 1014 120 101 TRP CA C 61.744 0.3 1 1015 120 101 TRP CB C 30.017 0.3 1 1016 120 101 TRP CD1 C 127.418 0.3 1 1017 120 101 TRP CE3 C 121.081 0.3 1 1018 120 101 TRP CZ2 C 114.449 0.3 1 1019 120 101 TRP CZ3 C 121.562 0.3 1 1020 120 101 TRP CH2 C 125.528 0.3 1 1021 120 101 TRP N N 121.452 0.3 1 1022 120 101 TRP NE1 N 130.272 0.3 1 1023 121 102 GLY H H 8.744 0.020 1 1024 121 102 GLY HA2 H 3.943 0.020 2 1025 121 102 GLY HA3 H 3.868 0.020 2 1026 121 102 GLY CA C 47.642 0.3 1 1027 121 102 GLY N N 106.166 0.3 1 1028 122 103 LYS H H 7.747 0.020 1 1029 122 103 LYS HA H 3.862 0.020 1 1030 122 103 LYS HB2 H 1.460 0.020 2 1031 122 103 LYS HB3 H 1.145 0.020 2 1032 122 103 LYS HG2 H 1.325 0.020 2 1033 122 103 LYS HG3 H 1.112 0.020 2 1034 122 103 LYS HD2 H 1.522 0.020 2 1035 122 103 LYS HD3 H 1.430 0.020 2 1036 122 103 LYS HE2 H 2.824 0.020 1 1037 122 103 LYS HE3 H 2.824 0.020 1 1038 122 103 LYS CA C 59.472 0.3 1 1039 122 103 LYS CB C 33.940 0.3 1 1040 122 103 LYS CG C 26.676 0.3 1 1041 122 103 LYS CD C 30.078 0.3 1 1042 122 103 LYS CE C 42.706 0.3 1 1043 122 103 LYS N N 121.755 0.3 1 1044 123 104 VAL H H 7.961 0.020 1 1045 123 104 VAL HA H 3.922 0.020 1 1046 123 104 VAL HB H 2.916 0.020 1 1047 123 104 VAL HG1 H 1.512 0.020 2 1048 123 104 VAL HG2 H 0.789 0.020 2 1049 123 104 VAL CA C 68.596 0.3 1 1050 123 104 VAL CB C 31.756 0.3 1 1051 123 104 VAL CG1 C 22.637 0.3 1 1052 123 104 VAL CG2 C 23.068 0.3 1 1053 123 104 VAL N N 121.720 0.3 1 1054 124 105 VAL H H 8.732 0.020 1 1055 124 105 VAL HA H 3.615 0.020 1 1056 124 105 VAL HB H 2.409 0.020 1 1057 124 105 VAL HG1 H 1.315 0.020 2 1058 124 105 VAL HG2 H 0.974 0.020 2 1059 124 105 VAL CA C 68.150 0.3 1 1060 124 105 VAL CB C 31.324 0.3 1 1061 124 105 VAL CG1 C 24.265 0.3 1 1062 124 105 VAL CG2 C 21.949 0.3 1 1063 124 105 VAL N N 119.511 0.3 1 1064 125 106 SER H H 7.911 0.020 1 1065 125 106 SER HA H 4.062 0.020 1 1066 125 106 SER HB2 H 3.918 0.020 1 1067 125 106 SER HB3 H 3.918 0.020 1 1068 125 106 SER CA C 58.290 0.3 1 1069 125 106 SER CB C 63.146 0.3 1 1070 125 106 SER N N 114.844 0.3 1 1071 126 107 LEU H H 7.936 0.020 1 1072 126 107 LEU HA H 3.904 0.020 1 1073 126 107 LEU HB2 H 1.687 0.020 2 1074 126 107 LEU HB3 H 1.662 0.020 2 1075 126 107 LEU HG H 1.580 0.020 1 1076 126 107 LEU HD1 H 0.970 0.020 2 1077 126 107 LEU HD2 H 0.612 0.020 2 1078 126 107 LEU CA C 58.976 0.3 1 1079 126 107 LEU CB C 42.342 0.3 1 1080 126 107 LEU CG C 27.415 0.3 1 1081 126 107 LEU CD1 C 26.634 0.3 1 1082 126 107 LEU CD2 C 25.401 0.3 1 1083 126 107 LEU N N 121.964 0.3 1 1084 127 108 TYR H H 7.811 0.020 1 1085 127 108 TYR HA H 3.497 0.020 1 1086 127 108 TYR HB2 H 2.749 0.020 2 1087 127 108 TYR HB3 H 1.444 0.020 2 1088 127 108 TYR HD1 H 7.098 0.020 1 1089 127 108 TYR HD2 H 7.098 0.020 1 1090 127 108 TYR HE1 H 6.505 0.020 1 1091 127 108 TYR HE2 H 6.505 0.020 1 1092 127 108 TYR CA C 63.859 0.3 1 1093 127 108 TYR CB C 37.074 0.3 1 1094 127 108 TYR CD1 C 132.276 0.3 1 1095 127 108 TYR CE1 C 117.393 0.3 1 1096 127 108 TYR N N 118.779 0.3 1 1097 128 109 ALA H H 8.608 0.020 1 1098 128 109 ALA HA H 4.140 0.020 1 1099 128 109 ALA HB H 1.365 0.020 1 1100 128 109 ALA CA C 55.957 0.3 1 1101 128 109 ALA CB C 18.676 0.3 1 1102 128 109 ALA N N 121.077 0.3 1 1103 129 110 VAL H H 8.716 0.020 1 1104 129 110 VAL HA H 3.801 0.020 1 1105 129 110 VAL HB H 2.281 0.020 1 1106 129 110 VAL HG1 H 1.134 0.020 2 1107 129 110 VAL HG2 H 0.996 0.020 2 1108 129 110 VAL CA C 67.528 0.3 1 1109 129 110 VAL CB C 32.077 0.3 1 1110 129 110 VAL CG1 C 23.690 0.3 1 1111 129 110 VAL CG2 C 21.787 0.3 1 1112 129 110 VAL N N 120.598 0.3 1 1113 130 111 ALA H H 8.083 0.020 1 1114 130 111 ALA HA H 3.576 0.020 1 1115 130 111 ALA HB H 1.091 0.020 1 1116 130 111 ALA CA C 55.913 0.3 1 1117 130 111 ALA CB C 17.622 0.3 1 1118 130 111 ALA N N 121.826 0.3 1 1119 131 112 ALA H H 8.688 0.020 1 1120 131 112 ALA HA H 4.016 0.020 1 1121 131 112 ALA HB H 1.610 0.020 1 1122 131 112 ALA CA C 55.131 0.3 1 1123 131 112 ALA CB C 19.062 0.3 1 1124 131 112 ALA N N 116.386 0.3 1 1125 132 113 GLY H H 8.368 0.020 1 1126 132 113 GLY HA2 H 3.888 0.020 2 1127 132 113 GLY HA3 H 3.830 0.020 2 1128 132 113 GLY CA C 47.721 0.3 1 1129 132 113 GLY N N 106.693 0.3 1 1130 133 114 LEU H H 8.071 0.020 1 1131 133 114 LEU HA H 4.201 0.020 1 1132 133 114 LEU HB2 H 1.857 0.020 2 1133 133 114 LEU HB3 H 1.185 0.020 2 1134 133 114 LEU HG H 1.721 0.020 1 1135 133 114 LEU HD1 H 0.815 0.020 2 1136 133 114 LEU HD2 H 0.727 0.020 2 1137 133 114 LEU CA C 57.652 0.3 1 1138 133 114 LEU CB C 42.759 0.3 1 1139 133 114 LEU CG C 27.523 0.3 1 1140 133 114 LEU CD1 C 23.654 0.3 1 1141 133 114 LEU CD2 C 23.110 0.3 1 1142 133 114 LEU N N 122.052 0.3 1 1143 134 115 ALA H H 8.164 0.020 1 1144 134 115 ALA HA H 3.622 0.020 1 1145 134 115 ALA HB H 1.341 0.020 1 1146 134 115 ALA CA C 55.465 0.3 1 1147 134 115 ALA CB C 19.575 0.3 1 1148 134 115 ALA N N 121.659 0.3 1 1149 135 116 VAL H H 8.233 0.020 1 1150 135 116 VAL HA H 3.340 0.020 1 1151 135 116 VAL HB H 2.252 0.020 1 1152 135 116 VAL HG1 H 0.967 0.020 2 1153 135 116 VAL HG2 H 0.877 0.020 2 1154 135 116 VAL CA C 67.020 0.3 1 1155 135 116 VAL CB C 31.778 0.3 1 1156 135 116 VAL CG1 C 23.170 0.3 1 1157 135 116 VAL CG2 C 21.412 0.3 1 1158 135 116 VAL N N 117.779 0.3 1 1159 136 117 ASP H H 7.423 0.020 1 1160 136 117 ASP HA H 4.351 0.020 1 1161 136 117 ASP HB2 H 2.787 0.020 2 1162 136 117 ASP HB3 H 2.486 0.020 2 1163 136 117 ASP CA C 58.378 0.3 1 1164 136 117 ASP CB C 41.195 0.3 1 1165 136 117 ASP N N 118.579 0.3 1 1166 137 118 ALA H H 8.406 0.020 1 1167 137 118 ALA HA H 3.789 0.020 1 1168 137 118 ALA HB H 1.388 0.020 1 1169 137 118 ALA CA C 55.963 0.3 1 1170 137 118 ALA CB C 17.967 0.3 1 1171 137 118 ALA N N 120.907 0.3 1 1172 138 119 VAL H H 8.317 0.020 1 1173 138 119 VAL HA H 3.327 0.020 1 1174 138 119 VAL HB H 2.011 0.020 1 1175 138 119 VAL HG1 H 1.051 0.020 2 1176 138 119 VAL HG2 H 0.884 0.020 2 1177 138 119 VAL CA C 67.795 0.3 1 1178 138 119 VAL CB C 31.176 0.3 1 1179 138 119 VAL CG1 C 23.390 0.3 1 1180 138 119 VAL CG2 C 24.709 0.3 1 1181 138 119 VAL N N 118.639 0.3 1 1182 139 120 ARG H H 8.761 0.020 1 1183 139 120 ARG HA H 4.003 0.020 1 1184 139 120 ARG HB2 H 2.083 0.020 2 1185 139 120 ARG HB3 H 1.947 0.020 2 1186 139 120 ARG HG2 H 1.712 0.020 1 1187 139 120 ARG HG3 H 1.712 0.020 1 1188 139 120 ARG HD2 H 3.244 0.020 1 1189 139 120 ARG HD3 H 3.244 0.020 1 1190 139 120 ARG HE H 7.177 0.020 1 1191 139 120 ARG CA C 60.603 0.3 1 1192 139 120 ARG CB C 30.489 0.3 1 1193 139 120 ARG CG C 29.024 0.3 1 1194 139 120 ARG CD C 43.910 0.3 1 1195 139 120 ARG N N 123.065 0.3 1 1196 140 121 GLN H H 7.568 0.020 1 1197 140 121 GLN HA H 4.385 0.020 1 1198 140 121 GLN HB2 H 2.471 0.020 2 1199 140 121 GLN HB3 H 1.818 0.020 2 1200 140 121 GLN HG2 H 2.516 0.020 2 1201 140 121 GLN HG3 H 2.375 0.020 2 1202 140 121 GLN HE21 H 7.435 0.020 1 1203 140 121 GLN HE22 H 6.760 0.020 1 1204 140 121 GLN CA C 55.828 0.3 1 1205 140 121 GLN CB C 28.426 0.3 1 1206 140 121 GLN CG C 34.859 0.3 1 1207 140 121 GLN N N 115.841 0.3 1 1208 140 121 GLN NE2 N 111.306 0.3 1 1209 141 122 ALA H H 7.983 0.020 1 1210 141 122 ALA HA H 4.126 0.020 1 1211 141 122 ALA HB H 1.511 0.020 1 1212 141 122 ALA CA C 53.069 0.3 1 1213 141 122 ALA CB C 16.522 0.3 1 1214 141 122 ALA N N 118.478 0.3 1 1215 142 123 GLN H H 8.383 0.020 1 1216 142 123 GLN HA H 5.033 0.020 1 1217 142 123 GLN HB2 H 2.268 0.020 1 1218 142 123 GLN HB3 H 2.268 0.020 1 1219 142 123 GLN HG2 H 2.374 0.020 2 1220 142 123 GLN HG3 H 2.268 0.020 2 1221 142 123 GLN HE21 H 7.476 0.020 1 1222 142 123 GLN HE22 H 6.839 0.020 1 1223 142 123 GLN CA C 53.167 0.3 1 1224 142 123 GLN CB C 28.792 0.3 1 1225 142 123 GLN CG C 32.300 0.3 1 1226 142 123 GLN N N 115.078 0.3 1 1227 142 123 GLN NE2 N 111.767 0.3 1 1228 143 124 PRO HA H 4.099 0.020 1 1229 143 124 PRO HB2 H 2.307 0.020 1 1230 143 124 PRO HB3 H 2.307 0.020 1 1231 143 124 PRO HG2 H 2.049 0.020 1 1232 143 124 PRO HG3 H 2.049 0.020 1 1233 143 124 PRO HD2 H 3.802 0.020 2 1234 143 124 PRO HD3 H 3.334 0.020 2 1235 143 124 PRO CA C 65.556 0.3 1 1236 143 124 PRO CB C 31.715 0.3 1 1237 143 124 PRO CG C 27.606 0.3 1 1238 143 124 PRO CD C 50.829 0.3 1 1239 144 125 ALA H H 8.768 0.020 1 1240 144 125 ALA HA H 4.328 0.020 1 1241 144 125 ALA HB H 1.506 0.020 1 1242 144 125 ALA CA C 55.289 0.3 1 1243 144 125 ALA CB C 18.544 0.3 1 1244 144 125 ALA N N 122.938 0.3 1 1245 145 126 MET H H 7.883 0.020 1 1246 145 126 MET HA H 4.222 0.020 1 1247 145 126 MET HB2 H 2.117 0.020 2 1248 145 126 MET HB3 H 1.782 0.020 2 1249 145 126 MET HG2 H 2.741 0.020 2 1250 145 126 MET HG3 H 2.566 0.020 2 1251 145 126 MET HE H 1.860 0.020 1 1252 145 126 MET CA C 56.971 0.3 1 1253 145 126 MET CB C 32.307 0.3 1 1254 145 126 MET CG C 34.053 0.3 1 1255 145 126 MET CE C 18.517 0.3 1 1256 145 126 MET N N 114.204 0.3 1 1257 146 127 VAL H H 7.615 0.020 1 1258 146 127 VAL HA H 3.152 0.020 1 1259 146 127 VAL HB H 1.840 0.020 1 1260 146 127 VAL HG1 H 0.629 0.020 2 1261 146 127 VAL HG2 H 0.252 0.020 2 1262 146 127 VAL CA C 67.964 0.3 1 1263 146 127 VAL CB C 31.107 0.3 1 1264 146 127 VAL CG1 C 23.599 0.3 1 1265 146 127 VAL CG2 C 22.041 0.3 1 1266 146 127 VAL N N 117.669 0.3 1 1267 147 128 HIS H H 7.645 0.020 1 1268 147 128 HIS HA H 4.298 0.020 1 1269 147 128 HIS HB2 H 3.466 0.020 2 1270 147 128 HIS HB3 H 3.361 0.020 2 1271 147 128 HIS HD2 H 7.361 0.020 1 1272 147 128 HIS HE1 H 8.447 0.020 1 1273 147 128 HIS CA C 59.360 0.3 1 1274 147 128 HIS CB C 28.771 0.3 1 1275 147 128 HIS CD2 C 120.436 0.3 1 1276 147 128 HIS CE1 C 137.456 0.3 1 1277 147 128 HIS N N 115.954 0.3 1 1278 148 129 ALA H H 7.047 0.020 1 1279 148 129 ALA HA H 4.141 0.020 1 1280 148 129 ALA HB H 1.411 0.020 1 1281 148 129 ALA CA C 55.216 0.3 1 1282 148 129 ALA CB C 18.162 0.3 1 1283 148 129 ALA N N 120.089 0.3 1 1284 149 130 LEU H H 8.027 0.020 1 1285 149 130 LEU HA H 3.636 0.020 1 1286 149 130 LEU HB2 H 1.825 0.020 2 1287 149 130 LEU HB3 H 0.721 0.020 2 1288 149 130 LEU HG H 1.454 0.020 1 1289 149 130 LEU HD1 H 0.541 0.020 2 1290 149 130 LEU HD2 H 0.365 0.020 2 1291 149 130 LEU CA C 58.229 0.3 1 1292 149 130 LEU CB C 42.444 0.3 1 1293 149 130 LEU CG C 27.293 0.3 1 1294 149 130 LEU CD1 C 25.430 0.3 1 1295 149 130 LEU CD2 C 23.712 0.3 1 1296 149 130 LEU N N 119.932 0.3 1 1297 150 131 VAL H H 7.884 0.020 1 1298 150 131 VAL HA H 3.324 0.020 1 1299 150 131 VAL HB H 2.121 0.020 1 1300 150 131 VAL HG1 H 0.789 0.020 1 1301 150 131 VAL HG2 H 0.789 0.020 1 1302 150 131 VAL CA C 67.578 0.3 1 1303 150 131 VAL CB C 31.238 0.3 1 1304 150 131 VAL CG1 C 22.789 0.3 1 1305 150 131 VAL N N 119.216 0.3 1 1306 151 132 ASP H H 8.024 0.020 1 1307 151 132 ASP HA H 4.332 0.020 1 1308 151 132 ASP HB2 H 2.622 0.020 1 1309 151 132 ASP HB3 H 2.622 0.020 1 1310 151 132 ASP CA C 58.210 0.3 1 1311 151 132 ASP CB C 40.132 0.3 1 1312 151 132 ASP N N 119.707 0.3 1 1313 152 133 ALA H H 8.168 0.020 1 1314 152 133 ALA HA H 4.274 0.020 1 1315 152 133 ALA HB H 1.552 0.020 1 1316 152 133 ALA CA C 55.488 0.3 1 1317 152 133 ALA CB C 18.443 0.3 1 1318 152 133 ALA N N 123.585 0.3 1 1319 153 134 LEU H H 8.414 0.020 1 1320 153 134 LEU HA H 4.018 0.020 1 1321 153 134 LEU HB2 H 1.808 0.020 2 1322 153 134 LEU HB3 H 1.638 0.020 2 1323 153 134 LEU HG H 1.450 0.020 1 1324 153 134 LEU HD1 H 0.457 0.020 2 1325 153 134 LEU HD2 H 0.349 0.020 2 1326 153 134 LEU CA C 59.705 0.3 1 1327 153 134 LEU CB C 42.202 0.3 1 1328 153 134 LEU CG C 27.553 0.3 1 1329 153 134 LEU CD1 C 24.896 0.3 1 1330 153 134 LEU CD2 C 25.290 0.3 1 1331 153 134 LEU N N 120.603 0.3 1 1332 154 135 GLY H H 8.226 0.020 1 1333 154 135 GLY HA2 H 3.744 0.020 2 1334 154 135 GLY HA3 H 3.639 0.020 2 1335 154 135 GLY CA C 48.513 0.3 1 1336 154 135 GLY N N 104.562 0.3 1 1337 155 136 GLU H H 8.149 0.020 1 1338 155 136 GLU HA H 4.312 0.020 1 1339 155 136 GLU HB2 H 2.149 0.020 1 1340 155 136 GLU HB3 H 2.149 0.020 1 1341 155 136 GLU HG2 H 2.336 0.020 1 1342 155 136 GLU HG3 H 2.336 0.020 1 1343 155 136 GLU CA C 58.665 0.3 1 1344 155 136 GLU CB C 29.442 0.3 1 1345 155 136 GLU CG C 35.870 0.3 1 1346 155 136 GLU N N 121.384 0.3 1 1347 156 137 PHE H H 8.859 0.020 1 1348 156 137 PHE HA H 4.000 0.020 1 1349 156 137 PHE HB2 H 3.152 0.020 1 1350 156 137 PHE HB3 H 3.152 0.020 1 1351 156 137 PHE HD1 H 7.037 0.020 1 1352 156 137 PHE HD2 H 7.037 0.020 1 1353 156 137 PHE HE1 H 6.870 0.020 1 1354 156 137 PHE HE2 H 6.870 0.020 1 1355 156 137 PHE HZ H 6.938 0.020 1 1356 156 137 PHE CA C 62.952 0.3 1 1357 156 137 PHE CB C 39.377 0.3 1 1358 156 137 PHE CD1 C 131.311 0.3 1 1359 156 137 PHE CE1 C 131.781 0.3 1 1360 156 137 PHE CZ C 130.584 0.3 1 1361 156 137 PHE N N 121.650 0.3 1 1362 157 138 VAL H H 8.627 0.020 1 1363 157 138 VAL HA H 3.328 0.020 1 1364 157 138 VAL HB H 2.599 0.020 1 1365 157 138 VAL HG1 H 1.372 0.020 2 1366 157 138 VAL HG2 H 0.938 0.020 2 1367 157 138 VAL CA C 67.339 0.3 1 1368 157 138 VAL CB C 31.060 0.3 1 1369 157 138 VAL CG1 C 23.564 0.3 1 1370 157 138 VAL CG2 C 21.306 0.3 1 1371 157 138 VAL N N 119.990 0.3 1 1372 158 139 ARG H H 8.318 0.020 1 1373 158 139 ARG HA H 3.437 0.020 1 1374 158 139 ARG HB2 H 1.900 0.020 1 1375 158 139 ARG HB3 H 1.900 0.020 1 1376 158 139 ARG HG2 H 1.422 0.020 1 1377 158 139 ARG HG3 H 1.422 0.020 1 1378 158 139 ARG HD2 H 3.296 0.020 2 1379 158 139 ARG HD3 H 3.171 0.020 2 1380 158 139 ARG HE H 7.294 0.020 1 1381 158 139 ARG CA C 60.494 0.3 1 1382 158 139 ARG CB C 31.004 0.3 1 1383 158 139 ARG CG C 27.087 0.3 1 1384 158 139 ARG CD C 43.402 0.3 1 1385 158 139 ARG N N 119.616 0.3 1 1386 159 140 LYS H H 7.765 0.020 1 1387 159 140 LYS HA H 4.009 0.020 1 1388 159 140 LYS HB2 H 1.670 0.020 1 1389 159 140 LYS HB3 H 1.670 0.020 1 1390 159 140 LYS HG2 H 1.480 0.020 2 1391 159 140 LYS HG3 H 1.324 0.020 2 1392 159 140 LYS HD2 H 1.611 0.020 1 1393 159 140 LYS HD3 H 1.611 0.020 1 1394 159 140 LYS HE2 H 2.911 0.020 1 1395 159 140 LYS HE3 H 2.911 0.020 1 1396 159 140 LYS CA C 58.944 0.3 1 1397 159 140 LYS CB C 34.086 0.3 1 1398 159 140 LYS CG C 25.439 0.3 1 1399 159 140 LYS CD C 29.470 0.3 1 1400 159 140 LYS CE C 42.164 0.3 1 1401 159 140 LYS N N 113.714 0.3 1 1402 160 141 THR H H 7.823 0.020 1 1403 160 141 THR HA H 4.150 0.020 1 1404 160 141 THR HB H 2.600 0.020 1 1405 160 141 THR HG2 H 0.714 0.020 1 1406 160 141 THR CA C 64.753 0.3 1 1407 160 141 THR CB C 70.478 0.3 1 1408 160 141 THR CG2 C 21.947 0.3 1 1409 160 141 THR N N 111.585 0.3 1 1410 161 142 LEU H H 7.530 0.020 1 1411 161 142 LEU HA H 4.387 0.020 1 1412 161 142 LEU HB2 H 1.606 0.020 2 1413 161 142 LEU HB3 H 1.376 0.020 2 1414 161 142 LEU HG H 1.099 0.020 1 1415 161 142 LEU HD1 H 0.627 0.020 2 1416 161 142 LEU HD2 H -0.016 0.020 2 1417 161 142 LEU CA C 55.227 0.3 1 1418 161 142 LEU CB C 44.732 0.3 1 1419 161 142 LEU CG C 26.668 0.3 1 1420 161 142 LEU CD1 C 25.549 0.3 1 1421 161 142 LEU CD2 C 23.485 0.3 1 1422 161 142 LEU N N 117.513 0.3 1 1423 162 143 ALA H H 7.801 0.020 1 1424 162 143 ALA HA H 3.707 0.020 1 1425 162 143 ALA HB H 1.423 0.020 1 1426 162 143 ALA CA C 57.234 0.3 1 1427 162 143 ALA CB C 18.439 0.3 1 1428 162 143 ALA N N 123.298 0.3 1 1429 163 144 THR H H 7.963 0.020 1 1430 163 144 THR HA H 3.756 0.020 1 1431 163 144 THR HB H 4.104 0.020 1 1432 163 144 THR HG2 H 1.174 0.020 1 1433 163 144 THR CA C 67.009 0.3 1 1434 163 144 THR CB C 68.496 0.3 1 1435 163 144 THR CG2 C 22.077 0.3 1 1436 163 144 THR N N 112.153 0.3 1 1437 164 145 TRP H H 7.879 0.020 1 1438 164 145 TRP HA H 3.854 0.020 1 1439 164 145 TRP HB2 H 3.102 0.020 2 1440 164 145 TRP HB3 H 3.020 0.020 2 1441 164 145 TRP HD1 H 7.125 0.020 1 1442 164 145 TRP HE1 H 9.565 0.020 1 1443 164 145 TRP HE3 H 6.567 0.020 1 1444 164 145 TRP HZ2 H 6.776 0.020 1 1445 164 145 TRP HZ3 H 5.024 0.020 1 1446 164 145 TRP HH2 H 4.781 0.020 1 1447 164 145 TRP CA C 62.614 0.3 1 1448 164 145 TRP CB C 29.604 0.3 1 1449 164 145 TRP CD1 C 127.446 0.3 1 1450 164 145 TRP CE3 C 119.016 0.3 1 1451 164 145 TRP CZ2 C 113.638 0.3 1 1452 164 145 TRP CZ3 C 121.801 0.3 1 1453 164 145 TRP CH2 C 123.972 0.3 1 1454 164 145 TRP N N 124.328 0.3 1 1455 164 145 TRP NE1 N 129.084 0.3 1 1456 165 146 LEU H H 8.512 0.020 1 1457 165 146 LEU HA H 3.299 0.020 1 1458 165 146 LEU HB2 H 1.820 0.020 2 1459 165 146 LEU HB3 H 0.698 0.020 2 1460 165 146 LEU HG H 1.460 0.020 1 1461 165 146 LEU HD1 H 0.255 0.020 2 1462 165 146 LEU HD2 H -0.106 0.020 2 1463 165 146 LEU CA C 57.792 0.3 1 1464 165 146 LEU CB C 44.521 0.3 1 1465 165 146 LEU CG C 27.686 0.3 1 1466 165 146 LEU CD1 C 26.712 0.3 1 1467 165 146 LEU CD2 C 23.686 0.3 1 1468 165 146 LEU N N 117.268 0.3 1 1469 166 147 ARG H H 8.466 0.020 1 1470 166 147 ARG HA H 3.663 0.020 1 1471 166 147 ARG HB2 H 1.845 0.020 1 1472 166 147 ARG HB3 H 1.845 0.020 1 1473 166 147 ARG HG2 H 1.511 0.020 1 1474 166 147 ARG HG3 H 1.511 0.020 1 1475 166 147 ARG HD2 H 3.287 0.020 2 1476 166 147 ARG HD3 H 3.103 0.020 2 1477 166 147 ARG HE H 7.250 0.020 1 1478 166 147 ARG CA C 60.685 0.3 1 1479 166 147 ARG CB C 30.037 0.3 1 1480 166 147 ARG CG C 28.477 0.3 1 1481 166 147 ARG CD C 43.311 0.3 1 1482 166 147 ARG N N 119.673 0.3 1 1483 167 148 ARG H H 7.764 0.020 1 1484 167 148 ARG HA H 3.958 0.020 1 1485 167 148 ARG HB2 H 1.743 0.020 1 1486 167 148 ARG HB3 H 1.743 0.020 1 1487 167 148 ARG HG2 H 1.664 0.020 2 1488 167 148 ARG HG3 H 1.605 0.020 2 1489 167 148 ARG HD2 H 3.089 0.020 1 1490 167 148 ARG HD3 H 3.089 0.020 1 1491 167 148 ARG HE H 7.134 0.020 1 1492 167 148 ARG CA C 59.187 0.3 1 1493 167 148 ARG CB C 30.190 0.3 1 1494 167 148 ARG CG C 27.703 0.3 1 1495 167 148 ARG CD C 43.810 0.3 1 1496 167 148 ARG N N 119.159 0.3 1 1497 168 149 ARG H H 7.219 0.020 1 1498 168 149 ARG HA H 4.111 0.020 1 1499 168 149 ARG HB2 H 1.725 0.020 2 1500 168 149 ARG HB3 H 1.412 0.020 2 1501 168 149 ARG HG2 H 0.785 0.020 2 1502 168 149 ARG HG3 H 0.324 0.020 2 1503 168 149 ARG HD2 H 2.265 0.020 2 1504 168 149 ARG HD3 H 1.863 0.020 2 1505 168 149 ARG HE H 6.495 0.020 1 1506 168 149 ARG CA C 54.946 0.3 1 1507 168 149 ARG CB C 29.399 0.3 1 1508 168 149 ARG CG C 24.900 0.3 1 1509 168 149 ARG CD C 41.475 0.3 1 1510 168 149 ARG N N 115.020 0.3 1 1511 168 149 ARG NE N 116.720 0.3 1 1512 169 150 GLY H H 7.496 0.020 1 1513 169 150 GLY HA2 H 4.270 0.020 2 1514 169 150 GLY HA3 H 3.664 0.020 2 1515 169 150 GLY CA C 45.221 0.3 1 1516 169 150 GLY N N 104.501 0.3 1 1517 170 151 GLY H H 8.312 0.020 1 1518 170 151 GLY HA2 H 4.549 0.020 2 1519 170 151 GLY HA3 H 3.022 0.020 2 1520 170 151 GLY CA C 43.948 0.3 1 1521 170 151 GLY N N 106.970 0.3 1 1522 171 152 TRP H H 8.735 0.020 1 1523 171 152 TRP HA H 4.385 0.020 1 1524 171 152 TRP HB2 H 3.414 0.020 2 1525 171 152 TRP HB3 H 3.030 0.020 2 1526 171 152 TRP HD1 H 7.924 0.020 1 1527 171 152 TRP HE1 H 9.481 0.020 1 1528 171 152 TRP HE3 H 7.307 0.020 1 1529 171 152 TRP HZ2 H 7.398 0.020 1 1530 171 152 TRP HZ3 H 7.771 0.020 1 1531 171 152 TRP HH2 H 7.259 0.020 1 1532 171 152 TRP CA C 61.064 0.3 1 1533 171 152 TRP CB C 30.216 0.3 1 1534 171 152 TRP CD1 C 128.173 0.3 1 1535 171 152 TRP CE3 C 120.755 0.3 1 1536 171 152 TRP CZ2 C 113.935 0.3 1 1537 171 152 TRP CZ3 C 120.901 0.3 1 1538 171 152 TRP CH2 C 124.573 0.3 1 1539 171 152 TRP N N 117.969 0.3 1 1540 171 152 TRP NE1 N 123.624 0.3 1 1541 172 153 THR H H 7.784 0.020 1 1542 172 153 THR HA H 3.816 0.020 1 1543 172 153 THR HB H 4.375 0.020 1 1544 172 153 THR HG2 H 1.221 0.020 1 1545 172 153 THR CA C 64.120 0.3 1 1546 172 153 THR CB C 68.628 0.3 1 1547 172 153 THR CG2 C 22.533 0.3 1 1548 172 153 THR N N 102.165 0.3 1 1549 173 154 ASP H H 7.954 0.020 1 1550 173 154 ASP HA H 4.392 0.020 1 1551 173 154 ASP HB2 H 3.095 0.020 2 1552 173 154 ASP HB3 H 2.773 0.020 2 1553 173 154 ASP CA C 58.095 0.3 1 1554 173 154 ASP CB C 43.481 0.3 1 1555 173 154 ASP N N 124.038 0.3 1 1556 174 155 VAL H H 6.803 0.020 1 1557 174 155 VAL HA H 2.870 0.020 1 1558 174 155 VAL HB H -0.059 0.020 1 1559 174 155 VAL HG1 H 0.598 0.020 2 1560 174 155 VAL HG2 H 0.389 0.020 2 1561 174 155 VAL CA C 63.115 0.3 1 1562 174 155 VAL CB C 30.928 0.3 1 1563 174 155 VAL CG1 C 20.334 0.3 1 1564 174 155 VAL CG2 C 23.127 0.3 1 1565 174 155 VAL N N 116.411 0.3 1 1566 175 156 LEU H H 7.226 0.020 1 1567 175 156 LEU HA H 3.957 0.020 1 1568 175 156 LEU HB2 H 1.816 0.020 2 1569 175 156 LEU HB3 H 1.559 0.020 2 1570 175 156 LEU HG H 1.584 0.020 1 1571 175 156 LEU HD1 H 0.871 0.020 2 1572 175 156 LEU HD2 H 0.708 0.020 2 1573 175 156 LEU CA C 56.027 0.3 1 1574 175 156 LEU CB C 41.016 0.3 1 1575 175 156 LEU CG C 27.583 0.3 1 1576 175 156 LEU CD1 C 25.439 0.3 1 1577 175 156 LEU CD2 C 23.121 0.3 1 1578 175 156 LEU N N 116.854 0.3 1 1579 176 157 LYS H H 7.329 0.020 1 1580 176 157 LYS HA H 4.313 0.020 1 1581 176 157 LYS HB2 H 1.964 0.020 2 1582 176 157 LYS HB3 H 1.844 0.020 2 1583 176 157 LYS HG2 H 1.420 0.020 1 1584 176 157 LYS HG3 H 1.420 0.020 1 1585 176 157 LYS HD2 H 1.932 0.020 1 1586 176 157 LYS HD3 H 1.932 0.020 1 1587 176 157 LYS HE2 H 3.012 0.020 2 1588 176 157 LYS HE3 H 2.934 0.020 2 1589 176 157 LYS CA C 56.660 0.3 1 1590 176 157 LYS CB C 32.873 0.3 1 1591 176 157 LYS CG C 25.407 0.3 1 1592 176 157 LYS CD C 30.730 0.3 1 1593 176 157 LYS CE C 42.702 0.3 1 1594 176 157 LYS N N 117.168 0.3 1 1595 177 158 CYS H H 7.519 0.020 1 1596 177 158 CYS HA H 4.177 0.020 1 1597 177 158 CYS HB2 H 2.992 0.020 2 1598 177 158 CYS HB3 H 2.819 0.020 2 1599 177 158 CYS CA C 61.685 0.3 1 1600 177 158 CYS CB C 29.128 0.3 1 1601 177 158 CYS N N 124.043 0.3 1 stop_ save_