data_26801 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N Assignment of NFU1 Iron-Sulfur Cluster Scaffold Homolog from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR2876 ; _BMRB_accession_number 26801 _BMRB_flat_file_name bmr26801.str _Entry_type original _Submission_date 2016-05-16 _Accession_date 2016-05-16 _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 Liu Gaohua . . 2 Xiao Rong . . 3 Janjua Haleema . . 4 Hamilton Keith . . 5 Shastry Ritu . . 6 Kohan Eitan . . 7 Acton Thomas . . 8 Everett John K. . 9 Huang Yuangpeng . . 10 Montelione Gaetano T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1154 "13C chemical shifts" 680 "15N chemical shifts" 196 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-01-09 update BMRB 'update entry citation' 2016-06-29 original author 'original release' stop_ _Original_release_date 2016-06-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural/Functional Properties of Human NFU1, an Intermediate [4Fe-4S] Carrier in Human Mitochondrial Iron-Sulfur Cluster Biogenesis ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27818104 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cai Kai . . 2 Liu Gaohua . . 3 Frederick Ronnie O. . 4 Xiao Rong . . 5 Montelione Gaetano . . 6 Markley John L. . stop_ _Journal_abbreviation Structure _Journal_volume 24 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2080 _Page_last 2091 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name NFU1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NFU1 $NFU1 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_NFU1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NFU1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 216 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MFIQTQDTPNPNSLKFIPGK PVLETRTMDFPTPAAAFRSP LARQLFRIEGVKSVFFGPDF ITVTKENEELDWNLLKPDIY ATIMDFFASGLPLVTEETPS GEAGSEEDDEVVAMIKELLD TRIRPTVQEDGGDVIYKGFE DGIVQLKLQGSCTSCPSSII TLKNGIQNMLQFYIPEVEGV EQVMDDESDEKEANSP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLY 3 3 SER 4 4 SER 5 5 HIS 6 6 HIS 7 7 HIS 8 8 HIS 9 9 HIS 10 10 HIS 11 11 SER 12 12 SER 13 13 GLY 14 14 LEU 15 15 VAL 16 16 PRO 17 17 ARG 18 18 GLY 19 19 SER 20 20 HIS 21 21 MET 22 22 PHE 23 23 ILE 24 24 GLN 25 25 THR 26 26 GLN 27 27 ASP 28 28 THR 29 29 PRO 30 30 ASN 31 31 PRO 32 32 ASN 33 33 SER 34 34 LEU 35 35 LYS 36 36 PHE 37 37 ILE 38 38 PRO 39 39 GLY 40 40 LYS 41 41 PRO 42 42 VAL 43 43 LEU 44 44 GLU 45 45 THR 46 46 ARG 47 47 THR 48 48 MET 49 49 ASP 50 50 PHE 51 51 PRO 52 52 THR 53 53 PRO 54 54 ALA 55 55 ALA 56 56 ALA 57 57 PHE 58 58 ARG 59 59 SER 60 60 PRO 61 61 LEU 62 62 ALA 63 63 ARG 64 64 GLN 65 65 LEU 66 66 PHE 67 67 ARG 68 68 ILE 69 69 GLU 70 70 GLY 71 71 VAL 72 72 LYS 73 73 SER 74 74 VAL 75 75 PHE 76 76 PHE 77 77 GLY 78 78 PRO 79 79 ASP 80 80 PHE 81 81 ILE 82 82 THR 83 83 VAL 84 84 THR 85 85 LYS 86 86 GLU 87 87 ASN 88 88 GLU 89 89 GLU 90 90 LEU 91 91 ASP 92 92 TRP 93 93 ASN 94 94 LEU 95 95 LEU 96 96 LYS 97 97 PRO 98 98 ASP 99 99 ILE 100 100 TYR 101 101 ALA 102 102 THR 103 103 ILE 104 104 MET 105 105 ASP 106 106 PHE 107 107 PHE 108 108 ALA 109 109 SER 110 110 GLY 111 111 LEU 112 112 PRO 113 113 LEU 114 114 VAL 115 115 THR 116 116 GLU 117 117 GLU 118 118 THR 119 119 PRO 120 120 SER 121 121 GLY 122 122 GLU 123 123 ALA 124 124 GLY 125 125 SER 126 126 GLU 127 127 GLU 128 128 ASP 129 129 ASP 130 130 GLU 131 131 VAL 132 132 VAL 133 133 ALA 134 134 MET 135 135 ILE 136 136 LYS 137 137 GLU 138 138 LEU 139 139 LEU 140 140 ASP 141 141 THR 142 142 ARG 143 143 ILE 144 144 ARG 145 145 PRO 146 146 THR 147 147 VAL 148 148 GLN 149 149 GLU 150 150 ASP 151 151 GLY 152 152 GLY 153 153 ASP 154 154 VAL 155 155 ILE 156 156 TYR 157 157 LYS 158 158 GLY 159 159 PHE 160 160 GLU 161 161 ASP 162 162 GLY 163 163 ILE 164 164 VAL 165 165 GLN 166 166 LEU 167 167 LYS 168 168 LEU 169 169 GLN 170 170 GLY 171 171 SER 172 172 CYS 173 173 THR 174 174 SER 175 175 CYS 176 176 PRO 177 177 SER 178 178 SER 179 179 ILE 180 180 ILE 181 181 THR 182 182 LEU 183 183 LYS 184 184 ASN 185 185 GLY 186 186 ILE 187 187 GLN 188 188 ASN 189 189 MET 190 190 LEU 191 191 GLN 192 192 PHE 193 193 TYR 194 194 ILE 195 195 PRO 196 196 GLU 197 197 VAL 198 198 GLU 199 199 GLY 200 200 VAL 201 201 GLU 202 202 GLN 203 203 VAL 204 204 MET 205 205 ASP 206 206 ASP 207 207 GLU 208 208 SER 209 209 ASP 210 210 GLU 211 211 LYS 212 212 GLU 213 213 ALA 214 214 ASN 215 215 SER 216 216 PRO 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 $NFU1 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 $NFU1 'recombinant technology' . Escherichia coli . pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'Low Salt with 5% acetonitrile' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NFU1 0.88 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _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_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _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_ save_3D_simutaneous_13C-aromatic,13C-aliphatic,15N_edited_1H-1H_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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' 100 . mM pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D CBCA(CO)NH' '3D HNCACB' '3D simutaneous 13C-aromatic,13C-aliphatic,15N edited 1H-1H NOESY' 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 NFU1 _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 20 HIS HA H 4.592 0.020 1 2 20 20 HIS HB2 H 2.951 0.020 2 3 20 20 HIS HB3 H 3.091 0.020 2 4 20 20 HIS CA C 55.711 0.400 1 5 20 20 HIS CB C 30.437 0.400 1 6 21 21 MET H H 8.070 0.020 1 7 21 21 MET HA H 4.330 0.020 1 8 21 21 MET HB2 H 1.862 0.020 1 9 21 21 MET HB3 H 1.862 0.020 1 10 21 21 MET HG2 H 2.287 0.020 2 11 21 21 MET HG3 H 2.421 0.020 2 12 21 21 MET HE H 1.805 0.020 1 13 21 21 MET CA C 55.695 0.400 1 14 21 21 MET CB C 33.733 0.400 1 15 21 21 MET CG C 31.716 0.400 1 16 21 21 MET CE C 16.766 0.400 1 17 21 21 MET N N 122.201 0.400 1 18 22 22 PHE H H 8.498 0.020 1 19 22 22 PHE HA H 4.627 0.020 1 20 22 22 PHE HB2 H 3.024 0.020 2 21 22 22 PHE HB3 H 2.995 0.020 2 22 22 22 PHE HD1 H 7.187 0.020 1 23 22 22 PHE HD2 H 7.187 0.020 1 24 22 22 PHE HE1 H 7.229 0.020 1 25 22 22 PHE HE2 H 7.229 0.020 1 26 22 22 PHE HZ H 7.276 0.020 1 27 22 22 PHE CA C 57.086 0.400 1 28 22 22 PHE CB C 39.949 0.400 1 29 22 22 PHE CD1 C 131.773 0.400 1 30 22 22 PHE CD2 C 131.845 0.400 1 31 22 22 PHE CE1 C 131.421 0.400 1 32 22 22 PHE CE2 C 131.667 0.400 1 33 22 22 PHE CZ C 129.788 0.400 1 34 22 22 PHE N N 123.187 0.400 1 35 23 23 ILE H H 7.853 0.020 1 36 23 23 ILE HA H 4.145 0.020 1 37 23 23 ILE HB H 1.462 0.020 1 38 23 23 ILE HG12 H 1.493 0.020 2 39 23 23 ILE HG13 H 0.784 0.020 2 40 23 23 ILE HG2 H 0.772 0.020 1 41 23 23 ILE HD1 H 0.794 0.020 1 42 23 23 ILE CA C 60.541 0.400 1 43 23 23 ILE CB C 38.474 0.400 1 44 23 23 ILE CG1 C 28.205 0.400 1 45 23 23 ILE CG2 C 17.789 0.400 1 46 23 23 ILE CD1 C 14.943 0.400 1 47 23 23 ILE N N 123.279 0.400 1 48 24 24 GLN H H 7.925 0.020 1 49 24 24 GLN HA H 4.580 0.020 1 50 24 24 GLN HB2 H 2.165 0.020 2 51 24 24 GLN HB3 H 1.926 0.020 2 52 24 24 GLN HG2 H 2.292 0.020 2 53 24 24 GLN HG3 H 2.370 0.020 2 54 24 24 GLN HE21 H 7.535 0.020 2 55 24 24 GLN HE22 H 6.870 0.020 2 56 24 24 GLN CA C 54.480 0.400 1 57 24 24 GLN CB C 31.394 0.400 1 58 24 24 GLN CG C 33.871 0.400 1 59 24 24 GLN N N 125.864 0.400 1 60 24 24 GLN NE2 N 111.810 0.400 1 61 25 25 THR H H 8.420 0.020 1 62 25 25 THR HA H 5.277 0.020 1 63 25 25 THR HB H 3.645 0.020 1 64 25 25 THR HG2 H 0.578 0.020 1 65 25 25 THR CA C 59.386 0.400 1 66 25 25 THR CB C 71.454 0.400 1 67 25 25 THR CG2 C 22.007 0.400 1 68 25 25 THR N N 113.693 0.400 1 69 26 26 GLN H H 8.738 0.020 1 70 26 26 GLN HA H 4.440 0.020 1 71 26 26 GLN HB2 H 1.826 0.020 2 72 26 26 GLN HB3 H 1.609 0.020 2 73 26 26 GLN HG2 H 2.220 0.020 2 74 26 26 GLN HG3 H 2.392 0.020 2 75 26 26 GLN HE21 H 7.444 0.020 2 76 26 26 GLN HE22 H 6.759 0.020 2 77 26 26 GLN CA C 54.601 0.400 1 78 26 26 GLN CB C 32.980 0.400 1 79 26 26 GLN CG C 33.491 0.400 1 80 26 26 GLN N N 121.513 0.400 1 81 26 26 GLN NE2 N 111.249 0.400 1 82 27 27 ASP H H 8.249 0.020 1 83 27 27 ASP HA H 4.579 0.020 1 84 27 27 ASP HB2 H 2.664 0.020 2 85 27 27 ASP HB3 H 2.479 0.020 2 86 27 27 ASP CA C 54.341 0.400 1 87 27 27 ASP CB C 41.335 0.400 1 88 27 27 ASP N N 123.083 0.400 1 89 28 28 THR H H 8.723 0.020 1 90 28 28 THR HA H 4.909 0.020 1 91 28 28 THR HB H 4.482 0.020 1 92 28 28 THR HG2 H 1.004 0.020 1 93 28 28 THR CA C 60.000 0.400 1 94 28 28 THR CB C 69.312 0.400 1 95 28 28 THR CG2 C 20.412 0.400 1 96 28 28 THR N N 111.443 0.400 1 97 29 29 PRO HA H 4.354 0.020 1 98 29 29 PRO HB2 H 1.833 0.020 2 99 29 29 PRO HB3 H 2.436 0.020 2 100 29 29 PRO HG2 H 2.032 0.020 2 101 29 29 PRO HG3 H 1.885 0.020 2 102 29 29 PRO HD2 H 3.806 0.020 2 103 29 29 PRO HD3 H 3.596 0.020 2 104 29 29 PRO CA C 64.056 0.400 1 105 29 29 PRO CB C 31.770 0.400 1 106 29 29 PRO CG C 27.613 0.400 1 107 29 29 PRO CD C 51.148 0.400 1 108 30 30 ASN H H 7.818 0.020 1 109 30 30 ASN HA H 5.182 0.020 1 110 30 30 ASN HB2 H 2.921 0.020 2 111 30 30 ASN HB3 H 2.694 0.020 2 112 30 30 ASN HD21 H 7.253 0.020 2 113 30 30 ASN HD22 H 7.617 0.020 2 114 30 30 ASN CA C 49.056 0.400 1 115 30 30 ASN CB C 40.042 0.400 1 116 30 30 ASN N N 116.237 0.400 1 117 30 30 ASN ND2 N 112.830 0.400 1 118 31 31 PRO HA H 4.612 0.020 1 119 31 31 PRO HB2 H 2.018 0.020 2 120 31 31 PRO HB3 H 2.488 0.020 2 121 31 31 PRO HG2 H 2.104 0.020 2 122 31 31 PRO HG3 H 2.019 0.020 2 123 31 31 PRO HD2 H 3.987 0.020 1 124 31 31 PRO HD3 H 3.987 0.020 1 125 31 31 PRO CA C 64.660 0.400 1 126 31 31 PRO CB C 32.124 0.400 1 127 31 31 PRO CG C 27.140 0.400 1 128 31 31 PRO CD C 51.083 0.400 1 129 32 32 ASN H H 8.436 0.020 1 130 32 32 ASN HA H 4.881 0.020 1 131 32 32 ASN HB2 H 3.166 0.020 2 132 32 32 ASN HB3 H 2.735 0.020 2 133 32 32 ASN HD21 H 7.281 0.020 2 134 32 32 ASN HD22 H 6.272 0.020 2 135 32 32 ASN CA C 53.517 0.400 1 136 32 32 ASN CB C 38.215 0.400 1 137 32 32 ASN N N 113.114 0.400 1 138 32 32 ASN ND2 N 110.219 0.400 1 139 33 33 SER H H 8.577 0.020 1 140 33 33 SER HA H 6.142 0.020 1 141 33 33 SER HB2 H 3.737 0.020 2 142 33 33 SER HB3 H 3.624 0.020 2 143 33 33 SER CA C 57.838 0.400 1 144 33 33 SER CB C 65.384 0.400 1 145 33 33 SER N N 116.984 0.400 1 146 34 34 LEU H H 8.751 0.020 1 147 34 34 LEU HA H 4.460 0.020 1 148 34 34 LEU HB2 H 0.472 0.020 2 149 34 34 LEU HB3 H 0.176 0.020 2 150 34 34 LEU HG H 0.429 0.020 1 151 34 34 LEU HD1 H -0.005 0.020 2 152 34 34 LEU HD2 H 0.029 0.020 2 153 34 34 LEU CA C 53.723 0.400 1 154 34 34 LEU CB C 46.000 0.400 1 155 34 34 LEU CG C 25.625 0.400 1 156 34 34 LEU CD1 C 23.238 0.400 1 157 34 34 LEU CD2 C 24.100 0.400 1 158 34 34 LEU N N 127.200 0.400 1 159 35 35 LYS H H 8.017 0.020 1 160 35 35 LYS HA H 4.859 0.020 1 161 35 35 LYS HB2 H 1.456 0.020 2 162 35 35 LYS HB3 H 1.492 0.020 2 163 35 35 LYS HG2 H 1.135 0.020 2 164 35 35 LYS HG3 H 1.131 0.020 2 165 35 35 LYS HD2 H 1.563 0.020 1 166 35 35 LYS HD3 H 1.563 0.020 1 167 35 35 LYS HE2 H 2.876 0.020 2 168 35 35 LYS HE3 H 2.867 0.020 2 169 35 35 LYS CA C 55.844 0.400 1 170 35 35 LYS CB C 34.162 0.400 1 171 35 35 LYS CG C 23.990 0.400 1 172 35 35 LYS CD C 28.523 0.400 1 173 35 35 LYS CE C 41.649 0.400 1 174 35 35 LYS N N 123.539 0.400 1 175 36 36 PHE H H 9.858 0.020 1 176 36 36 PHE HA H 4.835 0.020 1 177 36 36 PHE HB2 H 2.467 0.020 2 178 36 36 PHE HB3 H 3.263 0.020 2 179 36 36 PHE HD1 H 7.244 0.020 1 180 36 36 PHE HD2 H 7.244 0.020 1 181 36 36 PHE HE1 H 6.868 0.020 1 182 36 36 PHE HE2 H 6.868 0.020 1 183 36 36 PHE HZ H 6.718 0.020 1 184 36 36 PHE CA C 56.876 0.400 1 185 36 36 PHE CB C 40.191 0.400 1 186 36 36 PHE CD1 C 132.068 0.400 1 187 36 36 PHE CD2 C 132.294 0.400 1 188 36 36 PHE CE1 C 130.578 0.400 1 189 36 36 PHE CE2 C 130.600 0.400 1 190 36 36 PHE CZ C 128.974 0.400 1 191 36 36 PHE N N 123.189 0.400 1 192 37 37 ILE H H 9.322 0.020 1 193 37 37 ILE HA H 4.854 0.020 1 194 37 37 ILE HB H 1.835 0.020 1 195 37 37 ILE HG12 H 1.087 0.020 2 196 37 37 ILE HG13 H 1.302 0.020 2 197 37 37 ILE HG2 H 1.016 0.020 1 198 37 37 ILE HD1 H 0.673 0.020 1 199 37 37 ILE CA C 58.753 0.400 1 200 37 37 ILE CB C 39.597 0.400 1 201 37 37 ILE CG1 C 27.157 0.400 1 202 37 37 ILE CG2 C 18.086 0.400 1 203 37 37 ILE CD1 C 13.986 0.400 1 204 37 37 ILE N N 124.997 0.400 1 205 38 38 PRO HA H 4.509 0.020 1 206 38 38 PRO HB2 H 1.751 0.020 2 207 38 38 PRO HB3 H 1.640 0.020 2 208 38 38 PRO HG2 H 1.944 0.020 2 209 38 38 PRO HG3 H 1.499 0.020 2 210 38 38 PRO HD2 H 3.983 0.020 2 211 38 38 PRO HD3 H 4.177 0.020 2 212 38 38 PRO CA C 63.450 0.400 1 213 38 38 PRO CB C 32.443 0.400 1 214 38 38 PRO CG C 26.610 0.400 1 215 38 38 PRO CD C 50.627 0.400 1 216 39 39 GLY H H 8.178 0.020 1 217 39 39 GLY HA2 H 4.125 0.020 2 218 39 39 GLY HA3 H 3.644 0.020 2 219 39 39 GLY CA C 45.420 0.400 1 220 39 39 GLY N N 106.746 0.400 1 221 40 40 LYS H H 6.819 0.020 1 222 40 40 LYS HA H 4.688 0.020 1 223 40 40 LYS HB2 H 1.791 0.020 2 224 40 40 LYS HB3 H 0.982 0.020 2 225 40 40 LYS HG2 H 1.165 0.020 2 226 40 40 LYS HG3 H 1.102 0.020 2 227 40 40 LYS HD2 H 1.397 0.020 2 228 40 40 LYS HD3 H 1.544 0.020 2 229 40 40 LYS HE2 H 2.854 0.020 1 230 40 40 LYS HE3 H 2.854 0.020 1 231 40 40 LYS CA C 52.571 0.400 1 232 40 40 LYS CB C 34.570 0.400 1 233 40 40 LYS CG C 24.103 0.400 1 234 40 40 LYS CD C 28.780 0.400 1 235 40 40 LYS CE C 41.780 0.400 1 236 40 40 LYS N N 117.527 0.400 1 237 41 41 PRO HA H 4.540 0.020 1 238 41 41 PRO HB2 H 2.325 0.020 2 239 41 41 PRO HB3 H 1.821 0.020 2 240 41 41 PRO HG2 H 2.101 0.020 2 241 41 41 PRO HG3 H 2.013 0.020 2 242 41 41 PRO HD2 H 3.794 0.020 2 243 41 41 PRO HD3 H 3.593 0.020 2 244 41 41 PRO CA C 63.314 0.400 1 245 41 41 PRO CB C 32.043 0.400 1 246 41 41 PRO CG C 27.361 0.400 1 247 41 41 PRO CD C 50.171 0.400 1 248 42 42 VAL H H 7.974 0.020 1 249 42 42 VAL HA H 4.205 0.020 1 250 42 42 VAL HB H 1.938 0.020 1 251 42 42 VAL HG1 H 0.658 0.020 2 252 42 42 VAL HG2 H 0.589 0.020 2 253 42 42 VAL CA C 62.785 0.400 1 254 42 42 VAL CB C 30.042 0.400 1 255 42 42 VAL CG1 C 21.215 0.400 1 256 42 42 VAL CG2 C 21.562 0.400 1 257 42 42 VAL N N 121.796 0.400 1 258 43 43 LEU H H 7.454 0.020 1 259 43 43 LEU HA H 4.616 0.020 1 260 43 43 LEU HB2 H 1.571 0.020 2 261 43 43 LEU HB3 H 1.439 0.020 2 262 43 43 LEU HG H 1.596 0.020 1 263 43 43 LEU HD1 H 0.792 0.020 2 264 43 43 LEU HD2 H 0.880 0.020 2 265 43 43 LEU CA C 54.198 0.400 1 266 43 43 LEU CB C 42.992 0.400 1 267 43 43 LEU CG C 27.248 0.400 1 268 43 43 LEU CD1 C 27.398 0.400 1 269 43 43 LEU CD2 C 23.464 0.400 1 270 43 43 LEU N N 117.617 0.400 1 271 44 44 GLU H H 9.094 0.020 1 272 44 44 GLU HA H 3.967 0.020 1 273 44 44 GLU HB2 H 2.349 0.020 2 274 44 44 GLU HB3 H 2.355 0.020 2 275 44 44 GLU HG2 H 2.219 0.020 2 276 44 44 GLU HG3 H 2.217 0.020 2 277 44 44 GLU CA C 61.242 0.400 1 278 44 44 GLU CB C 29.881 0.400 1 279 44 44 GLU CG C 36.955 0.400 1 280 44 44 GLU N N 118.781 0.400 1 281 45 45 THR H H 8.836 0.020 1 282 45 45 THR HA H 4.415 0.020 1 283 45 45 THR HB H 4.520 0.020 1 284 45 45 THR HG2 H 1.214 0.020 1 285 45 45 THR CA C 61.607 0.400 1 286 45 45 THR CB C 70.302 0.400 1 287 45 45 THR CG2 C 21.734 0.400 1 288 45 45 THR N N 110.342 0.400 1 289 46 46 ARG H H 7.233 0.020 1 290 46 46 ARG HA H 4.735 0.020 1 291 46 46 ARG HB2 H 2.027 0.020 2 292 46 46 ARG HB3 H 1.874 0.020 2 293 46 46 ARG HG2 H 1.606 0.020 2 294 46 46 ARG HG3 H 1.393 0.020 2 295 46 46 ARG HD2 H 3.166 0.020 2 296 46 46 ARG HD3 H 3.162 0.020 2 297 46 46 ARG CA C 54.740 0.400 1 298 46 46 ARG CB C 31.942 0.400 1 299 46 46 ARG CG C 26.200 0.400 1 300 46 46 ARG CD C 43.472 0.400 1 301 46 46 ARG N N 117.791 0.400 1 302 47 47 THR H H 7.552 0.020 1 303 47 47 THR HA H 4.786 0.020 1 304 47 47 THR HB H 4.192 0.020 1 305 47 47 THR HG2 H 1.293 0.020 1 306 47 47 THR CA C 59.333 0.400 1 307 47 47 THR CB C 71.471 0.400 1 308 47 47 THR CG2 C 21.734 0.400 1 309 47 47 THR N N 104.691 0.400 1 310 48 48 MET H H 8.257 0.020 1 311 48 48 MET HA H 4.126 0.020 1 312 48 48 MET HB2 H 1.587 0.020 2 313 48 48 MET HB3 H 1.388 0.020 2 314 48 48 MET HG2 H 2.041 0.020 2 315 48 48 MET HG3 H 1.691 0.020 2 316 48 48 MET HE H 1.973 0.020 1 317 48 48 MET CA C 56.623 0.400 1 318 48 48 MET CB C 37.601 0.400 1 319 48 48 MET CG C 32.070 0.400 1 320 48 48 MET CE C 16.492 0.400 1 321 48 48 MET N N 118.733 0.400 1 322 49 49 ASP H H 8.401 0.020 1 323 49 49 ASP HA H 5.095 0.020 1 324 49 49 ASP HB2 H 2.569 0.020 2 325 49 49 ASP HB3 H 2.591 0.020 2 326 49 49 ASP CA C 53.028 0.400 1 327 49 49 ASP CB C 44.177 0.400 1 328 49 49 ASP N N 124.683 0.400 1 329 50 50 PHE H H 8.932 0.020 1 330 50 50 PHE HA H 4.902 0.020 1 331 50 50 PHE HB2 H 3.551 0.020 2 332 50 50 PHE HB3 H 2.631 0.020 2 333 50 50 PHE HD1 H 6.671 0.020 1 334 50 50 PHE HD2 H 6.671 0.020 1 335 50 50 PHE HE1 H 6.119 0.020 1 336 50 50 PHE HE2 H 6.119 0.020 1 337 50 50 PHE HZ H 6.703 0.020 1 338 50 50 PHE CA C 53.605 0.400 1 339 50 50 PHE CB C 38.650 0.400 1 340 50 50 PHE CD1 C 131.700 0.400 1 341 50 50 PHE CD2 C 131.792 0.400 1 342 50 50 PHE CE1 C 130.137 0.400 1 343 50 50 PHE CE2 C 130.304 0.400 1 344 50 50 PHE CZ C 128.949 0.400 1 345 50 50 PHE N N 121.194 0.400 1 346 51 51 PRO HA H 4.613 0.020 1 347 51 51 PRO HB2 H 2.486 0.020 2 348 51 51 PRO HB3 H 2.123 0.020 2 349 51 51 PRO HG2 H 2.098 0.020 1 350 51 51 PRO HG3 H 2.098 0.020 1 351 51 51 PRO HD2 H 3.667 0.020 2 352 51 51 PRO HD3 H 3.444 0.020 2 353 51 51 PRO CA C 64.334 0.400 1 354 51 51 PRO CB C 32.589 0.400 1 355 51 51 PRO CG C 26.746 0.400 1 356 51 51 PRO CD C 50.490 0.400 1 357 52 52 THR H H 7.133 0.020 1 358 52 52 THR HA H 5.007 0.020 1 359 52 52 THR HB H 4.469 0.020 1 360 52 52 THR HG2 H 1.310 0.020 1 361 52 52 THR CA C 57.421 0.400 1 362 52 52 THR CB C 70.881 0.400 1 363 52 52 THR CG2 C 21.440 0.400 1 364 52 52 THR N N 104.189 0.400 1 365 53 53 PRO HA H 2.776 0.020 1 366 53 53 PRO HB2 H 1.664 0.020 2 367 53 53 PRO HB3 H 1.818 0.020 2 368 53 53 PRO HG2 H 1.982 0.020 2 369 53 53 PRO HG3 H 1.656 0.020 2 370 53 53 PRO HD2 H 3.708 0.020 2 371 53 53 PRO HD3 H 3.605 0.020 2 372 53 53 PRO CG C 26.838 0.400 1 373 53 53 PRO CD C 50.034 0.400 1 374 54 54 ALA H H 7.528 0.020 1 375 54 54 ALA HA H 3.936 0.020 1 376 54 54 ALA HB H 1.314 0.020 1 377 54 54 ALA CA C 54.266 0.400 1 378 54 54 ALA CB C 17.885 0.400 1 379 54 54 ALA N N 119.107 0.400 1 380 55 55 ALA H H 7.603 0.020 1 381 55 55 ALA HA H 4.419 0.020 1 382 55 55 ALA HB H 1.745 0.020 1 383 55 55 ALA CA C 52.958 0.400 1 384 55 55 ALA CB C 18.752 0.400 1 385 55 55 ALA N N 117.837 0.400 1 386 56 56 ALA H H 7.535 0.020 1 387 56 56 ALA HA H 4.033 0.020 1 388 56 56 ALA HB H 1.302 0.020 1 389 56 56 ALA CA C 52.939 0.400 1 390 56 56 ALA CB C 18.635 0.400 1 391 56 56 ALA N N 117.892 0.400 1 392 57 57 PHE H H 7.252 0.020 1 393 57 57 PHE HA H 4.214 0.020 1 394 57 57 PHE HB2 H 3.250 0.020 2 395 57 57 PHE HB3 H 3.079 0.020 2 396 57 57 PHE HD1 H 7.303 0.020 1 397 57 57 PHE HD2 H 7.303 0.020 1 398 57 57 PHE HE1 H 7.377 0.020 1 399 57 57 PHE HE2 H 7.377 0.020 1 400 57 57 PHE HZ H 7.314 0.020 1 401 57 57 PHE CA C 60.093 0.400 1 402 57 57 PHE CB C 38.351 0.400 1 403 57 57 PHE CD1 C 131.773 0.400 1 404 57 57 PHE CD2 C 131.956 0.400 1 405 57 57 PHE CE1 C 131.718 0.400 1 406 57 57 PHE CE2 C 131.669 0.400 1 407 57 57 PHE CZ C 129.887 0.400 1 408 57 57 PHE N N 116.196 0.400 1 409 58 58 ARG H H 6.835 0.020 1 410 58 58 ARG HA H 4.249 0.020 1 411 58 58 ARG HB2 H 1.922 0.020 2 412 58 58 ARG HB3 H 1.603 0.020 2 413 58 58 ARG HG2 H 1.235 0.020 2 414 58 58 ARG HG3 H 1.129 0.020 2 415 58 58 ARG HD2 H 3.102 0.020 2 416 58 58 ARG HD3 H 3.106 0.020 2 417 58 58 ARG CA C 56.296 0.400 1 418 58 58 ARG CB C 30.804 0.400 1 419 58 58 ARG CG C 27.260 0.400 1 420 58 58 ARG CD C 43.100 0.400 1 421 58 58 ARG N N 115.250 0.400 1 422 59 59 SER H H 7.735 0.020 1 423 59 59 SER HA H 5.486 0.020 1 424 59 59 SER HB2 H 3.201 0.020 2 425 59 59 SER HB3 H 3.839 0.020 2 426 59 59 SER CA C 53.431 0.400 1 427 59 59 SER CB C 65.466 0.400 1 428 59 59 SER N N 111.138 0.400 1 429 60 60 PRO HA H 4.218 0.020 1 430 60 60 PRO HB2 H 2.051 0.020 2 431 60 60 PRO HB3 H 2.549 0.020 2 432 60 60 PRO HG2 H 2.275 0.020 2 433 60 60 PRO HG3 H 2.090 0.020 2 434 60 60 PRO HD2 H 3.941 0.020 2 435 60 60 PRO HD3 H 3.863 0.020 2 436 60 60 PRO CA C 64.757 0.400 1 437 60 60 PRO CB C 32.122 0.400 1 438 60 60 PRO CG C 27.711 0.400 1 439 60 60 PRO CD C 50.987 0.400 1 440 61 61 LEU H H 6.437 0.020 1 441 61 61 LEU HA H 3.663 0.020 1 442 61 61 LEU HB2 H -0.436 0.020 2 443 61 61 LEU HB3 H 0.886 0.020 2 444 61 61 LEU HG H 1.099 0.020 1 445 61 61 LEU HD1 H 0.559 0.020 2 446 61 61 LEU HD2 H 0.213 0.020 2 447 61 61 LEU CA C 56.798 0.400 1 448 61 61 LEU CB C 38.569 0.400 1 449 61 61 LEU CG C 26.770 0.400 1 450 61 61 LEU CD1 C 22.156 0.400 1 451 61 61 LEU CD2 C 25.243 0.400 1 452 61 61 LEU N N 115.023 0.400 1 453 62 62 ALA H H 7.245 0.020 1 454 62 62 ALA HA H 3.602 0.020 1 455 62 62 ALA HB H 0.460 0.020 1 456 62 62 ALA CA C 55.636 0.400 1 457 62 62 ALA CB C 16.218 0.400 1 458 62 62 ALA N N 120.262 0.400 1 459 63 63 ARG H H 8.336 0.020 1 460 63 63 ARG HA H 3.792 0.020 1 461 63 63 ARG HB2 H 1.961 0.020 2 462 63 63 ARG HB3 H 1.813 0.020 2 463 63 63 ARG HG2 H 1.456 0.020 2 464 63 63 ARG HG3 H 1.781 0.020 2 465 63 63 ARG HD2 H 3.110 0.020 2 466 63 63 ARG HD3 H 3.105 0.020 2 467 63 63 ARG CA C 59.746 0.400 1 468 63 63 ARG CB C 29.890 0.400 1 469 63 63 ARG CG C 27.310 0.400 1 470 63 63 ARG CD C 43.754 0.400 1 471 63 63 ARG N N 115.828 0.400 1 472 64 64 GLN H H 7.495 0.020 1 473 64 64 GLN HA H 4.007 0.020 1 474 64 64 GLN HB2 H 2.085 0.020 2 475 64 64 GLN HB3 H 2.083 0.020 2 476 64 64 GLN HG2 H 2.539 0.020 2 477 64 64 GLN HG3 H 2.638 0.020 2 478 64 64 GLN HE21 H 7.422 0.020 2 479 64 64 GLN HE22 H 6.883 0.020 2 480 64 64 GLN CA C 58.530 0.400 1 481 64 64 GLN CB C 28.377 0.400 1 482 64 64 GLN CG C 33.720 0.400 1 483 64 64 GLN N N 116.358 0.400 1 484 64 64 GLN NE2 N 110.276 0.400 1 485 65 65 LEU H H 8.126 0.020 1 486 65 65 LEU HA H 4.034 0.020 1 487 65 65 LEU HB2 H 1.870 0.020 2 488 65 65 LEU HB3 H 0.924 0.020 2 489 65 65 LEU HG H 1.720 0.020 1 490 65 65 LEU HD1 H 0.654 0.020 2 491 65 65 LEU HD2 H 0.743 0.020 2 492 65 65 LEU CA C 57.821 0.400 1 493 65 65 LEU CB C 41.811 0.400 1 494 65 65 LEU CG C 27.193 0.400 1 495 65 65 LEU CD1 C 26.615 0.400 1 496 65 65 LEU CD2 C 24.046 0.400 1 497 65 65 LEU N N 121.646 0.400 1 498 66 66 PHE H H 7.893 0.020 1 499 66 66 PHE HA H 4.118 0.020 1 500 66 66 PHE HB2 H 3.197 0.020 2 501 66 66 PHE HB3 H 2.830 0.020 2 502 66 66 PHE HD1 H 7.197 0.020 1 503 66 66 PHE HD2 H 7.197 0.020 1 504 66 66 PHE HE1 H 7.002 0.020 1 505 66 66 PHE HE2 H 7.002 0.020 1 506 66 66 PHE HZ H 7.198 0.020 1 507 66 66 PHE CA C 61.666 0.400 1 508 66 66 PHE CB C 39.070 0.400 1 509 66 66 PHE CD1 C 131.663 0.400 1 510 66 66 PHE CD2 C 131.801 0.400 1 511 66 66 PHE CE1 C 130.908 0.400 1 512 66 66 PHE CE2 C 131.004 0.400 1 513 66 66 PHE CZ C 129.580 0.400 1 514 66 66 PHE N N 113.667 0.400 1 515 67 67 ARG H H 7.264 0.020 1 516 67 67 ARG HA H 4.216 0.020 1 517 67 67 ARG HB2 H 1.911 0.020 2 518 67 67 ARG HB3 H 2.059 0.020 2 519 67 67 ARG HG2 H 1.725 0.020 2 520 67 67 ARG HG3 H 1.944 0.020 2 521 67 67 ARG HD2 H 3.208 0.020 1 522 67 67 ARG HD3 H 3.208 0.020 1 523 67 67 ARG CA C 57.136 0.400 1 524 67 67 ARG CB C 29.898 0.400 1 525 67 67 ARG CG C 27.310 0.400 1 526 67 67 ARG CD C 43.100 0.400 1 527 67 67 ARG N N 117.060 0.400 1 528 68 68 ILE H H 7.418 0.020 1 529 68 68 ILE HA H 3.859 0.020 1 530 68 68 ILE HB H 2.140 0.020 1 531 68 68 ILE HG12 H 1.720 0.020 2 532 68 68 ILE HG13 H 0.911 0.020 2 533 68 68 ILE HG2 H 0.888 0.020 1 534 68 68 ILE HD1 H 0.797 0.020 1 535 68 68 ILE CA C 61.054 0.400 1 536 68 68 ILE CB C 37.042 0.400 1 537 68 68 ILE CG1 C 27.306 0.400 1 538 68 68 ILE CG2 C 16.401 0.400 1 539 68 68 ILE CD1 C 14.551 0.400 1 540 68 68 ILE N N 122.998 0.400 1 541 69 69 GLU H H 8.489 0.020 1 542 69 69 GLU HA H 4.007 0.020 1 543 69 69 GLU HB2 H 1.941 0.020 2 544 69 69 GLU HB3 H 2.019 0.020 2 545 69 69 GLU HG2 H 2.256 0.020 2 546 69 69 GLU HG3 H 2.233 0.020 2 547 69 69 GLU CA C 58.170 0.400 1 548 69 69 GLU CB C 28.735 0.400 1 549 69 69 GLU CG C 36.010 0.400 1 550 69 69 GLU N N 129.678 0.400 1 551 70 70 GLY H H 8.683 0.020 1 552 70 70 GLY HA2 H 4.420 0.020 2 553 70 70 GLY HA3 H 3.528 0.020 2 554 70 70 GLY CA C 44.277 0.400 1 555 70 70 GLY N N 112.445 0.400 1 556 71 71 VAL H H 7.756 0.020 1 557 71 71 VAL HA H 3.626 0.020 1 558 71 71 VAL HB H 2.165 0.020 1 559 71 71 VAL HG1 H 0.278 0.020 2 560 71 71 VAL HG2 H 0.779 0.020 2 561 71 71 VAL CA C 65.234 0.400 1 562 71 71 VAL CB C 31.157 0.400 1 563 71 71 VAL CG1 C 20.490 0.400 1 564 71 71 VAL CG2 C 22.302 0.400 1 565 71 71 VAL N N 120.899 0.400 1 566 72 72 LYS H H 9.364 0.020 1 567 72 72 LYS HA H 4.540 0.020 1 568 72 72 LYS HB2 H 1.426 0.020 2 569 72 72 LYS HB3 H 1.366 0.020 2 570 72 72 LYS HG2 H 1.581 0.020 2 571 72 72 LYS HG3 H 1.416 0.020 2 572 72 72 LYS HD2 H 1.617 0.020 2 573 72 72 LYS HD3 H 1.755 0.020 2 574 72 72 LYS HE2 H 3.092 0.020 2 575 72 72 LYS HE3 H 3.083 0.020 2 576 72 72 LYS CA C 56.624 0.400 1 577 72 72 LYS CB C 35.851 0.400 1 578 72 72 LYS CG C 24.553 0.400 1 579 72 72 LYS CD C 29.773 0.400 1 580 72 72 LYS CE C 42.039 0.400 1 581 72 72 LYS N N 130.818 0.400 1 582 73 73 SER H H 7.772 0.020 1 583 73 73 SER HA H 4.997 0.020 1 584 73 73 SER HB2 H 3.989 0.020 2 585 73 73 SER HB3 H 4.132 0.020 2 586 73 73 SER CA C 57.992 0.400 1 587 73 73 SER CB C 65.955 0.400 1 588 73 73 SER N N 108.343 0.400 1 589 74 74 VAL H H 8.017 0.020 1 590 74 74 VAL HA H 4.811 0.020 1 591 74 74 VAL HB H 1.694 0.020 1 592 74 74 VAL HG1 H 0.769 0.020 2 593 74 74 VAL HG2 H 0.314 0.020 2 594 74 74 VAL CA C 61.016 0.400 1 595 74 74 VAL CB C 36.572 0.400 1 596 74 74 VAL CG1 C 23.329 0.400 1 597 74 74 VAL CG2 C 21.734 0.400 1 598 74 74 VAL N N 119.124 0.400 1 599 75 75 PHE H H 9.145 0.020 1 600 75 75 PHE HA H 5.374 0.020 1 601 75 75 PHE HB2 H 3.322 0.020 2 602 75 75 PHE HB3 H 3.206 0.020 2 603 75 75 PHE HD1 H 7.326 0.020 1 604 75 75 PHE HD2 H 7.326 0.020 1 605 75 75 PHE HE1 H 7.286 0.020 1 606 75 75 PHE HE2 H 7.286 0.020 1 607 75 75 PHE HZ H 7.272 0.020 1 608 75 75 PHE CA C 56.500 0.400 1 609 75 75 PHE CB C 42.896 0.400 1 610 75 75 PHE CD1 C 131.911 0.400 1 611 75 75 PHE CD2 C 131.960 0.400 1 612 75 75 PHE CE1 C 130.694 0.400 1 613 75 75 PHE CE2 C 131.063 0.400 1 614 75 75 PHE CZ C 129.603 0.400 1 615 75 75 PHE N N 126.467 0.400 1 616 76 76 PHE H H 9.234 0.020 1 617 76 76 PHE HA H 5.281 0.020 1 618 76 76 PHE HB2 H 3.050 0.020 2 619 76 76 PHE HB3 H 3.264 0.020 2 620 76 76 PHE HD1 H 7.104 0.020 1 621 76 76 PHE HD2 H 7.104 0.020 1 622 76 76 PHE HE1 H 6.953 0.020 1 623 76 76 PHE HE2 H 6.953 0.020 1 624 76 76 PHE HZ H 6.625 0.020 1 625 76 76 PHE CA C 52.572 0.400 1 626 76 76 PHE CB C 39.261 0.400 1 627 76 76 PHE CD1 C 128.988 0.400 1 628 76 76 PHE CD2 C 129.118 0.400 1 629 76 76 PHE CE1 C 131.093 0.400 1 630 76 76 PHE CE2 C 131.275 0.400 1 631 76 76 PHE CZ C 128.420 0.400 1 632 76 76 PHE N N 126.955 0.400 1 633 77 77 GLY H H 7.983 0.020 1 634 77 77 GLY HA2 H 4.254 0.020 2 635 77 77 GLY HA3 H 2.211 0.020 2 636 77 77 GLY CA C 42.209 0.400 1 637 77 77 GLY N N 108.779 0.400 1 638 79 79 ASP HA H 4.704 0.020 1 639 79 79 ASP HB2 H 2.924 0.020 2 640 79 79 ASP HB3 H 2.606 0.020 2 641 79 79 ASP CA C 52.258 0.400 1 642 79 79 ASP CB C 41.452 0.400 1 643 80 80 PHE H H 7.250 0.020 1 644 80 80 PHE HA H 5.411 0.020 1 645 80 80 PHE HB2 H 2.904 0.020 2 646 80 80 PHE HB3 H 3.171 0.020 2 647 80 80 PHE CA C 55.414 0.400 1 648 80 80 PHE CB C 41.946 0.400 1 649 80 80 PHE N N 109.416 0.400 1 650 81 81 ILE H H 9.449 0.020 1 651 81 81 ILE HA H 5.264 0.020 1 652 81 81 ILE HB H 1.804 0.020 1 653 81 81 ILE HG12 H 1.559 0.020 2 654 81 81 ILE HG13 H 0.944 0.020 2 655 81 81 ILE HG2 H 0.984 0.020 1 656 81 81 ILE HD1 H 0.697 0.020 1 657 81 81 ILE CA C 60.741 0.400 1 658 81 81 ILE CB C 43.023 0.400 1 659 81 81 ILE CG1 C 28.132 0.400 1 660 81 81 ILE CG2 C 17.461 0.400 1 661 81 81 ILE CD1 C 15.672 0.400 1 662 81 81 ILE N N 120.653 0.400 1 663 82 82 THR H H 10.580 0.020 1 664 82 82 THR HA H 5.788 0.020 1 665 82 82 THR HB H 4.454 0.020 1 666 82 82 THR HG2 H 1.154 0.020 1 667 82 82 THR CA C 61.601 0.400 1 668 82 82 THR CB C 69.808 0.400 1 669 82 82 THR CG2 C 23.273 0.400 1 670 82 82 THR N N 126.867 0.400 1 671 83 83 VAL H H 9.237 0.020 1 672 83 83 VAL HA H 4.747 0.020 1 673 83 83 VAL HB H 2.349 0.020 1 674 83 83 VAL HG1 H 1.181 0.020 2 675 83 83 VAL HG2 H 0.973 0.020 2 676 83 83 VAL CA C 61.472 0.400 1 677 83 83 VAL CB C 34.080 0.400 1 678 83 83 VAL CG1 C 22.836 0.400 1 679 83 83 VAL CG2 C 22.226 0.400 1 680 83 83 VAL N N 129.101 0.400 1 681 84 84 THR H H 8.807 0.020 1 682 84 84 THR HA H 5.884 0.020 1 683 84 84 THR HB H 4.145 0.020 1 684 84 84 THR HG2 H 1.202 0.020 1 685 84 84 THR CA C 60.873 0.400 1 686 84 84 THR CB C 70.148 0.400 1 687 84 84 THR CG2 C 20.556 0.400 1 688 84 84 THR N N 124.673 0.400 1 689 85 85 LYS H H 9.513 0.020 1 690 85 85 LYS HA H 5.315 0.020 1 691 85 85 LYS HB2 H 1.533 0.020 2 692 85 85 LYS HB3 H 0.816 0.020 2 693 85 85 LYS HG2 H 1.010 0.020 1 694 85 85 LYS HG3 H 1.010 0.020 1 695 85 85 LYS HD2 H -0.917 0.020 2 696 85 85 LYS HD3 H 0.714 0.020 2 697 85 85 LYS HE2 H 2.362 0.020 2 698 85 85 LYS HE3 H 2.078 0.020 2 699 85 85 LYS CA C 53.627 0.400 1 700 85 85 LYS CB C 34.954 0.400 1 701 85 85 LYS CG C 22.886 0.400 1 702 85 85 LYS CD C 28.780 0.400 1 703 85 85 LYS CE C 42.241 0.400 1 704 85 85 LYS N N 126.417 0.400 1 705 86 86 GLU H H 8.268 0.020 1 706 86 86 GLU HA H 3.797 0.020 1 707 86 86 GLU HB2 H 1.917 0.020 1 708 86 86 GLU HB3 H 1.917 0.020 1 709 86 86 GLU HG2 H 2.214 0.020 2 710 86 86 GLU HG3 H 2.211 0.020 2 711 86 86 GLU CA C 59.351 0.400 1 712 86 86 GLU CB C 30.975 0.400 1 713 86 86 GLU CG C 35.337 0.400 1 714 86 86 GLU N N 116.965 0.400 1 715 87 87 ASN H H 7.052 0.020 1 716 87 87 ASN HA H 4.697 0.020 1 717 87 87 ASN HB2 H 2.911 0.020 2 718 87 87 ASN HB3 H 3.064 0.020 2 719 87 87 ASN HD21 H 7.649 0.020 2 720 87 87 ASN HD22 H 6.813 0.020 2 721 87 87 ASN CA C 52.287 0.400 1 722 87 87 ASN CB C 39.938 0.400 1 723 87 87 ASN N N 108.191 0.400 1 724 87 87 ASN ND2 N 113.761 0.400 1 725 88 88 GLU H H 9.120 0.020 1 726 88 88 GLU HA H 4.027 0.020 1 727 88 88 GLU HB2 H 2.066 0.020 1 728 88 88 GLU HB3 H 2.067 0.020 1 729 88 88 GLU HG2 H 2.331 0.020 2 730 88 88 GLU HG3 H 2.328 0.020 2 731 88 88 GLU CA C 58.912 0.400 1 732 88 88 GLU CB C 29.784 0.400 1 733 88 88 GLU CG C 36.645 0.400 1 734 88 88 GLU N N 120.654 0.400 1 735 89 89 GLU H H 8.393 0.020 1 736 89 89 GLU HA H 4.016 0.020 1 737 89 89 GLU HB2 H 2.015 0.020 2 738 89 89 GLU HB3 H 1.944 0.020 2 739 89 89 GLU HG2 H 2.242 0.020 1 740 89 89 GLU HG3 H 2.241 0.020 1 741 89 89 GLU CA C 57.735 0.400 1 742 89 89 GLU CB C 28.912 0.400 1 743 89 89 GLU CG C 36.541 0.400 1 744 89 89 GLU N N 118.000 0.400 1 745 90 90 LEU H H 7.052 0.020 1 746 90 90 LEU HA H 4.216 0.020 1 747 90 90 LEU HB2 H 1.432 0.020 2 748 90 90 LEU HB3 H 1.308 0.020 2 749 90 90 LEU HG H 1.531 0.020 1 750 90 90 LEU HD1 H 0.976 0.020 2 751 90 90 LEU HD2 H 0.892 0.020 2 752 90 90 LEU CA C 54.055 0.400 1 753 90 90 LEU CB C 42.541 0.400 1 754 90 90 LEU CG C 26.770 0.400 1 755 90 90 LEU CD1 C 25.912 0.400 1 756 90 90 LEU CD2 C 24.730 0.400 1 757 90 90 LEU N N 120.646 0.400 1 758 91 91 ASP H H 8.467 0.020 1 759 91 91 ASP HA H 4.564 0.020 1 760 91 91 ASP HB2 H 2.844 0.020 2 761 91 91 ASP HB3 H 2.714 0.020 2 762 91 91 ASP CA C 53.513 0.400 1 763 91 91 ASP CB C 42.676 0.400 1 764 91 91 ASP N N 126.651 0.400 1 765 92 92 TRP H H 9.365 0.020 1 766 92 92 TRP HA H 4.597 0.020 1 767 92 92 TRP HB2 H 3.373 0.020 2 768 92 92 TRP HB3 H 3.225 0.020 2 769 92 92 TRP HD1 H 7.546 0.020 1 770 92 92 TRP HE1 H 9.809 0.020 1 771 92 92 TRP HE3 H 7.658 0.020 1 772 92 92 TRP HZ2 H 7.353 0.020 1 773 92 92 TRP HZ3 H 6.829 0.020 1 774 92 92 TRP HH2 H 7.191 0.020 1 775 92 92 TRP CA C 60.759 0.400 1 776 92 92 TRP CB C 30.622 0.400 1 777 92 92 TRP CD1 C 127.686 0.400 1 778 92 92 TRP CE3 C 120.380 0.400 1 779 92 92 TRP CZ2 C 115.636 0.400 1 780 92 92 TRP CZ3 C 120.286 0.400 1 781 92 92 TRP CH2 C 124.501 0.400 1 782 92 92 TRP N N 126.879 0.400 1 783 93 93 ASN H H 9.682 0.020 1 784 93 93 ASN HA H 4.578 0.020 1 785 93 93 ASN HB2 H 2.975 0.020 2 786 93 93 ASN HB3 H 2.793 0.020 2 787 93 93 ASN HD21 H 8.094 0.020 2 788 93 93 ASN HD22 H 7.115 0.020 2 789 93 93 ASN CA C 56.166 0.400 1 790 93 93 ASN CB C 37.378 0.400 1 791 93 93 ASN N N 117.045 0.400 1 792 93 93 ASN ND2 N 114.924 0.400 1 793 94 94 LEU H H 7.794 0.020 1 794 94 94 LEU HA H 4.416 0.020 1 795 94 94 LEU HB2 H 1.741 0.020 2 796 94 94 LEU HB3 H 1.957 0.020 2 797 94 94 LEU HG H 1.715 0.020 1 798 94 94 LEU HD1 H 1.045 0.020 2 799 94 94 LEU HD2 H 0.938 0.020 2 800 94 94 LEU CA C 56.004 0.400 1 801 94 94 LEU CB C 41.486 0.400 1 802 94 94 LEU CG C 27.385 0.400 1 803 94 94 LEU CD1 C 24.788 0.400 1 804 94 94 LEU CD2 C 22.968 0.400 1 805 94 94 LEU N N 117.468 0.400 1 806 95 95 LEU H H 7.439 0.020 1 807 95 95 LEU HA H 4.621 0.020 1 808 95 95 LEU HB2 H 1.692 0.020 2 809 95 95 LEU HB3 H 1.903 0.020 2 810 95 95 LEU HG H 1.701 0.020 1 811 95 95 LEU HD1 H 0.627 0.020 2 812 95 95 LEU HD2 H 0.806 0.020 2 813 95 95 LEU CA C 56.544 0.400 1 814 95 95 LEU CB C 45.032 0.400 1 815 95 95 LEU CG C 28.122 0.400 1 816 95 95 LEU CD1 C 25.912 0.400 1 817 95 95 LEU CD2 C 24.399 0.400 1 818 95 95 LEU N N 119.164 0.400 1 819 96 96 LYS H H 8.694 0.020 1 820 96 96 LYS HA H 3.859 0.020 1 821 96 96 LYS HB2 H 1.778 0.020 2 822 96 96 LYS HB3 H 1.962 0.020 2 823 96 96 LYS HG2 H 1.292 0.020 2 824 96 96 LYS HG3 H 1.962 0.020 2 825 96 96 LYS HD2 H 1.706 0.020 2 826 96 96 LYS HD3 H 1.704 0.020 2 827 96 96 LYS HE2 H 2.802 0.020 2 828 96 96 LYS HE3 H 2.768 0.020 2 829 96 96 LYS CA C 62.984 0.400 1 830 96 96 LYS CB C 30.560 0.400 1 831 96 96 LYS CG C 27.210 0.400 1 832 96 96 LYS CD C 29.454 0.400 1 833 96 96 LYS CE C 41.525 0.400 1 834 96 96 LYS N N 116.742 0.400 1 835 97 97 PRO HA H 4.287 0.020 1 836 97 97 PRO HB2 H 1.938 0.020 2 837 97 97 PRO HB3 H 2.413 0.020 2 838 97 97 PRO HG2 H 1.970 0.020 2 839 97 97 PRO HG3 H 2.184 0.020 2 840 97 97 PRO HD2 H 3.695 0.020 2 841 97 97 PRO HD3 H 3.471 0.020 2 842 97 97 PRO CA C 67.007 0.400 1 843 97 97 PRO CB C 30.461 0.400 1 844 97 97 PRO CG C 28.529 0.400 1 845 97 97 PRO CD C 50.193 0.400 1 846 98 98 ASP H H 7.476 0.020 1 847 98 98 ASP HA H 4.638 0.020 1 848 98 98 ASP HB2 H 2.692 0.020 2 849 98 98 ASP HB3 H 2.618 0.020 2 850 98 98 ASP CA C 56.936 0.400 1 851 98 98 ASP CB C 40.894 0.400 1 852 98 98 ASP N N 116.884 0.400 1 853 99 99 ILE H H 8.175 0.020 1 854 99 99 ILE HA H 3.218 0.020 1 855 99 99 ILE HB H 1.494 0.020 1 856 99 99 ILE HG12 H 1.856 0.020 2 857 99 99 ILE HG13 H 0.597 0.020 2 858 99 99 ILE HG2 H -0.179 0.020 1 859 99 99 ILE HD1 H 0.896 0.020 1 860 99 99 ILE CA C 66.310 0.400 1 861 99 99 ILE CB C 37.729 0.400 1 862 99 99 ILE CG1 C 29.383 0.400 1 863 99 99 ILE CG2 C 16.176 0.400 1 864 99 99 ILE CD1 C 15.665 0.400 1 865 99 99 ILE N N 124.408 0.400 1 866 100 100 TYR H H 9.113 0.020 1 867 100 100 TYR HA H 4.219 0.020 1 868 100 100 TYR HB2 H 3.086 0.020 2 869 100 100 TYR HB3 H 3.239 0.020 2 870 100 100 TYR HD1 H 7.274 0.020 1 871 100 100 TYR HD2 H 7.274 0.020 1 872 100 100 TYR HE1 H 6.820 0.020 1 873 100 100 TYR HE2 H 6.820 0.020 1 874 100 100 TYR CA C 60.070 0.400 1 875 100 100 TYR CB C 38.101 0.400 1 876 100 100 TYR CD1 C 131.672 0.400 1 877 100 100 TYR CD2 C 131.811 0.400 1 878 100 100 TYR CE1 C 117.857 0.400 1 879 100 100 TYR CE2 C 117.910 0.400 1 880 100 100 TYR N N 118.716 0.400 1 881 101 101 ALA H H 7.994 0.020 1 882 101 101 ALA HA H 4.097 0.020 1 883 101 101 ALA HB H 1.601 0.020 1 884 101 101 ALA CA C 55.196 0.400 1 885 101 101 ALA CB C 18.226 0.400 1 886 101 101 ALA N N 119.265 0.400 1 887 102 102 THR H H 7.955 0.020 1 888 102 102 THR HA H 3.997 0.020 1 889 102 102 THR HB H 4.216 0.020 1 890 102 102 THR HG2 H 1.049 0.020 1 891 102 102 THR CA C 67.092 0.400 1 892 102 102 THR CB C 68.687 0.400 1 893 102 102 THR CG2 C 21.783 0.400 1 894 102 102 THR N N 114.461 0.400 1 895 103 103 ILE H H 8.278 0.020 1 896 103 103 ILE HA H 3.559 0.020 1 897 103 103 ILE HB H 1.878 0.020 1 898 103 103 ILE HG12 H 0.658 0.020 2 899 103 103 ILE HG13 H 1.968 0.020 2 900 103 103 ILE HG2 H 0.907 0.020 1 901 103 103 ILE HD1 H 0.537 0.020 1 902 103 103 ILE CA C 66.579 0.400 1 903 103 103 ILE CB C 37.978 0.400 1 904 103 103 ILE CG1 C 29.836 0.400 1 905 103 103 ILE CG2 C 17.769 0.400 1 906 103 103 ILE CD1 C 14.039 0.400 1 907 103 103 ILE N N 121.186 0.400 1 908 104 104 MET H H 8.699 0.020 1 909 104 104 MET HA H 4.302 0.020 1 910 104 104 MET HB2 H 2.190 0.020 2 911 104 104 MET HB3 H 2.110 0.020 2 912 104 104 MET HG2 H 2.551 0.020 2 913 104 104 MET HG3 H 2.719 0.020 2 914 104 104 MET HE H 2.088 0.020 1 915 104 104 MET CA C 59.190 0.400 1 916 104 104 MET CB C 31.898 0.400 1 917 104 104 MET CG C 32.249 0.400 1 918 104 104 MET CE C 16.648 0.400 1 919 104 104 MET N N 118.345 0.400 1 920 105 105 ASP H H 8.718 0.020 1 921 105 105 ASP HA H 4.415 0.020 1 922 105 105 ASP HB2 H 2.871 0.020 2 923 105 105 ASP HB3 H 2.658 0.020 2 924 105 105 ASP CA C 57.050 0.400 1 925 105 105 ASP CB C 39.909 0.400 1 926 105 105 ASP N N 120.184 0.400 1 927 106 106 PHE H H 8.300 0.020 1 928 106 106 PHE HA H 4.014 0.020 1 929 106 106 PHE HB2 H 3.261 0.020 2 930 106 106 PHE HB3 H 2.966 0.020 2 931 106 106 PHE HD1 H 6.616 0.020 1 932 106 106 PHE HD2 H 6.616 0.020 1 933 106 106 PHE HE1 H 6.805 0.020 1 934 106 106 PHE HE2 H 6.805 0.020 1 935 106 106 PHE HZ H 6.968 0.020 1 936 106 106 PHE CA C 62.023 0.400 1 937 106 106 PHE CB C 39.421 0.400 1 938 106 106 PHE CD1 C 131.323 0.400 1 939 106 106 PHE CD2 C 131.330 0.400 1 940 106 106 PHE CE1 C 131.473 0.400 1 941 106 106 PHE CE2 C 131.553 0.400 1 942 106 106 PHE CZ C 131.124 0.400 1 943 106 106 PHE N N 120.633 0.400 1 944 107 107 PHE H H 8.683 0.020 1 945 107 107 PHE HA H 4.031 0.020 1 946 107 107 PHE HB2 H 3.072 0.020 2 947 107 107 PHE HB3 H 3.171 0.020 2 948 107 107 PHE HD1 H 7.579 0.020 1 949 107 107 PHE HD2 H 7.579 0.020 1 950 107 107 PHE HE1 H 7.217 0.020 1 951 107 107 PHE HE2 H 7.217 0.020 1 952 107 107 PHE HZ H 7.002 0.020 1 953 107 107 PHE CA C 62.385 0.400 1 954 107 107 PHE CB C 37.977 0.400 1 955 107 107 PHE CD1 C 131.764 0.400 1 956 107 107 PHE CD2 C 131.904 0.400 1 957 107 107 PHE CE1 C 130.744 0.400 1 958 107 107 PHE CE2 C 130.815 0.400 1 959 107 107 PHE CZ C 129.110 0.400 1 960 107 107 PHE N N 121.200 0.400 1 961 108 108 ALA H H 7.889 0.020 1 962 108 108 ALA HA H 4.300 0.020 1 963 108 108 ALA HB H 1.535 0.020 1 964 108 108 ALA CA C 53.627 0.400 1 965 108 108 ALA CB C 18.255 0.400 1 966 108 108 ALA N N 121.094 0.400 1 967 109 109 SER H H 7.547 0.020 1 968 109 109 SER HA H 4.154 0.020 1 969 109 109 SER HB2 H 3.987 0.020 2 970 109 109 SER HB3 H 3.808 0.020 2 971 109 109 SER CA C 60.673 0.400 1 972 109 109 SER CB C 64.496 0.400 1 973 109 109 SER N N 113.329 0.400 1 974 110 110 GLY H H 7.215 0.020 1 975 110 110 GLY HA2 H 4.014 0.020 2 976 110 110 GLY HA3 H 3.715 0.020 2 977 110 110 GLY CA C 45.839 0.400 1 978 110 110 GLY N N 109.375 0.400 1 979 111 111 LEU H H 7.309 0.020 1 980 111 111 LEU HA H 4.354 0.020 1 981 111 111 LEU HB2 H 1.392 0.020 2 982 111 111 LEU HB3 H 1.282 0.020 2 983 111 111 LEU HG H 1.449 0.020 1 984 111 111 LEU HD1 H 0.837 0.020 2 985 111 111 LEU HD2 H 0.887 0.020 2 986 111 111 LEU CA C 53.452 0.400 1 987 111 111 LEU CB C 41.117 0.400 1 988 111 111 LEU CG C 27.245 0.400 1 989 111 111 LEU CD1 C 24.911 0.400 1 990 111 111 LEU CD2 C 22.335 0.400 1 991 111 111 LEU N N 122.211 0.400 1 992 112 112 PRO HA H 4.508 0.020 1 993 112 112 PRO HB2 H 1.883 0.020 2 994 112 112 PRO HB3 H 2.325 0.020 2 995 112 112 PRO HG2 H 2.051 0.020 1 996 112 112 PRO HG3 H 2.050 0.020 1 997 112 112 PRO HD2 H 3.798 0.020 2 998 112 112 PRO HD3 H 3.584 0.020 2 999 112 112 PRO CA C 62.054 0.400 1 1000 112 112 PRO CB C 31.754 0.400 1 1001 112 112 PRO CG C 27.140 0.400 1 1002 112 112 PRO CD C 50.118 0.400 1 1003 113 113 LEU H H 8.341 0.020 1 1004 113 113 LEU HA H 3.988 0.020 1 1005 113 113 LEU HB2 H 1.671 0.020 2 1006 113 113 LEU HB3 H 1.519 0.020 2 1007 113 113 LEU HG H 1.554 0.020 1 1008 113 113 LEU HD1 H 0.553 0.020 2 1009 113 113 LEU HD2 H 0.477 0.020 2 1010 113 113 LEU CA C 57.911 0.400 1 1011 113 113 LEU CB C 42.684 0.400 1 1012 113 113 LEU CG C 28.132 0.400 1 1013 113 113 LEU CD1 C 25.452 0.400 1 1014 113 113 LEU CD2 C 25.933 0.400 1 1015 113 113 LEU N N 120.366 0.400 1 1016 114 114 VAL H H 7.711 0.020 1 1017 114 114 VAL HA H 4.921 0.020 1 1018 114 114 VAL HB H 2.095 0.020 1 1019 114 114 VAL HG1 H 1.032 0.020 2 1020 114 114 VAL HG2 H 0.998 0.020 2 1021 114 114 VAL CA C 60.331 0.400 1 1022 114 114 VAL CB C 35.346 0.400 1 1023 114 114 VAL CG1 C 21.742 0.400 1 1024 114 114 VAL CG2 C 20.796 0.400 1 1025 114 114 VAL N N 113.754 0.400 1 1026 115 115 THR H H 8.626 0.020 1 1027 115 115 THR HA H 4.394 0.020 1 1028 115 115 THR HB H 4.261 0.020 1 1029 115 115 THR HG2 H 1.206 0.020 1 1030 115 115 THR CA C 61.304 0.400 1 1031 115 115 THR CB C 69.554 0.400 1 1032 115 115 THR CG2 C 21.734 0.400 1 1033 115 115 THR N N 118.385 0.400 1 1034 116 116 GLU H H 8.494 0.020 1 1035 116 116 GLU HA H 4.411 0.020 1 1036 116 116 GLU HB2 H 2.120 0.020 2 1037 116 116 GLU HB3 H 1.949 0.020 2 1038 116 116 GLU HG2 H 2.281 0.020 2 1039 116 116 GLU HG3 H 2.278 0.020 2 1040 116 116 GLU CA C 56.099 0.400 1 1041 116 116 GLU CB C 30.463 0.400 1 1042 116 116 GLU CG C 36.010 0.400 1 1043 116 116 GLU N N 123.126 0.400 1 1044 117 117 GLU H H 8.605 0.020 1 1045 117 117 GLU HA H 4.354 0.020 1 1046 117 117 GLU HB2 H 1.943 0.020 2 1047 117 117 GLU HB3 H 2.067 0.020 2 1048 117 117 GLU HG2 H 2.278 0.020 2 1049 117 117 GLU HG3 H 2.268 0.020 2 1050 117 117 GLU CA C 56.594 0.400 1 1051 117 117 GLU CB C 30.143 0.400 1 1052 117 117 GLU CG C 36.717 0.400 1 1053 117 117 GLU N N 122.531 0.400 1 1054 118 118 THR H H 8.438 0.020 1 1055 118 118 THR HA H 4.616 0.020 1 1056 118 118 THR HB H 4.163 0.020 1 1057 118 118 THR HG2 H 1.268 0.020 1 1058 118 118 THR CA C 59.637 0.400 1 1059 118 118 THR CB C 69.507 0.400 1 1060 118 118 THR CG2 C 21.140 0.400 1 1061 118 118 THR N N 118.273 0.400 1 1062 119 119 PRO HA H 4.464 0.020 1 1063 119 119 PRO HB2 H 1.942 0.020 2 1064 119 119 PRO HB3 H 2.316 0.020 2 1065 119 119 PRO HG2 H 1.958 0.020 2 1066 119 119 PRO HG3 H 2.061 0.020 2 1067 119 119 PRO HD2 H 3.726 0.020 2 1068 119 119 PRO HD3 H 3.874 0.020 2 1069 119 119 PRO CA C 62.713 0.400 1 1070 119 119 PRO CB C 32.078 0.400 1 1071 119 119 PRO CG C 27.156 0.400 1 1072 119 119 PRO CD C 50.671 0.400 1 1073 120 120 SER H H 8.542 0.020 1 1074 120 120 SER HA H 4.428 0.020 1 1075 120 120 SER HB2 H 3.862 0.020 2 1076 120 120 SER HB3 H 3.925 0.020 2 1077 120 120 SER CA C 58.611 0.400 1 1078 120 120 SER CB C 63.796 0.400 1 1079 120 120 SER N N 116.787 0.400 1 1080 121 121 GLY H H 8.461 0.020 1 1081 121 121 GLY HA2 H 4.002 0.020 1 1082 121 121 GLY HA3 H 4.002 0.020 1 1083 121 121 GLY CA C 45.203 0.400 1 1084 121 121 GLY N N 110.930 0.400 1 1085 122 122 GLU H H 8.291 0.020 1 1086 122 122 GLU HA H 4.294 0.020 1 1087 122 122 GLU HB2 H 1.915 0.020 2 1088 122 122 GLU HB3 H 2.085 0.020 2 1089 122 122 GLU HG2 H 2.255 0.020 2 1090 122 122 GLU HG3 H 2.285 0.020 2 1091 122 122 GLU CA C 56.798 0.400 1 1092 122 122 GLU CB C 29.890 0.400 1 1093 122 122 GLU CG C 35.906 0.400 1 1094 122 122 GLU N N 120.578 0.400 1 1095 123 123 ALA H H 8.465 0.020 1 1096 123 123 ALA HA H 4.350 0.020 1 1097 123 123 ALA HB H 1.431 0.020 1 1098 123 123 ALA CA C 52.652 0.400 1 1099 123 123 ALA CB C 88.953 0.400 1 1100 123 123 ALA N N 125.312 0.400 1 1101 124 124 GLY H H 8.505 0.020 1 1102 124 124 GLY HA2 H 4.009 0.020 1 1103 124 124 GLY HA3 H 4.009 0.020 1 1104 124 124 GLY CA C 45.075 0.400 1 1105 124 124 GLY N N 108.962 0.400 1 1106 125 125 SER H H 8.272 0.020 1 1107 125 125 SER HA H 4.514 0.020 1 1108 125 125 SER HB2 H 3.920 0.020 2 1109 125 125 SER HB3 H 3.877 0.020 2 1110 125 125 SER CA C 58.077 0.400 1 1111 125 125 SER CB C 63.961 0.400 1 1112 125 125 SER N N 115.658 0.400 1 1113 126 126 GLU H H 8.714 0.020 1 1114 126 126 GLU HA H 4.347 0.020 1 1115 126 126 GLU HB2 H 2.103 0.020 2 1116 126 126 GLU HB3 H 1.963 0.020 2 1117 126 126 GLU HG2 H 2.315 0.020 1 1118 126 126 GLU HG3 H 2.315 0.020 1 1119 126 126 GLU CA C 56.664 0.400 1 1120 126 126 GLU CB C 30.070 0.400 1 1121 126 126 GLU CG C 36.010 0.400 1 1122 126 126 GLU N N 122.823 0.400 1 1123 127 127 GLU H H 8.424 0.020 1 1124 127 127 GLU HA H 4.285 0.020 1 1125 127 127 GLU HB2 H 2.069 0.020 2 1126 127 127 GLU HB3 H 1.923 0.020 2 1127 127 127 GLU HG2 H 2.261 0.020 1 1128 127 127 GLU HG3 H 2.261 0.020 1 1129 127 127 GLU CA C 56.468 0.400 1 1130 127 127 GLU CB C 29.900 0.400 1 1131 127 127 GLU CG C 36.010 0.400 1 1132 127 127 GLU N N 121.074 0.400 1 1133 128 128 ASP H H 8.335 0.020 1 1134 128 128 ASP HA H 4.592 0.020 1 1135 128 128 ASP HB2 H 2.694 0.020 2 1136 128 128 ASP HB3 H 2.635 0.020 2 1137 128 128 ASP CA C 54.309 0.400 1 1138 128 128 ASP CB C 41.298 0.400 1 1139 128 128 ASP N N 121.233 0.400 1 1140 129 129 ASP H H 8.282 0.020 1 1141 129 129 ASP HA H 4.559 0.020 1 1142 129 129 ASP HB2 H 2.805 0.020 2 1143 129 129 ASP HB3 H 2.731 0.020 2 1144 129 129 ASP CA C 54.475 0.400 1 1145 129 129 ASP CB C 41.570 0.400 1 1146 129 129 ASP N N 121.244 0.400 1 1147 130 130 GLU H H 8.656 0.020 1 1148 130 130 GLU HA H 3.990 0.020 1 1149 130 130 GLU HB2 H 2.095 0.020 1 1150 130 130 GLU CA C 59.610 0.400 1 1151 130 130 GLU CB C 30.000 0.400 1 1152 130 130 GLU N N 121.566 0.400 1 1153 131 131 VAL H H 8.049 0.020 1 1154 131 131 VAL HA H 3.630 0.020 1 1155 131 131 VAL HB H 2.170 0.020 1 1156 131 131 VAL HG1 H 0.682 0.020 2 1157 131 131 VAL HG2 H 0.963 0.020 2 1158 131 131 VAL CA C 66.289 0.400 1 1159 131 131 VAL CB C 31.086 0.400 1 1160 131 131 VAL CG1 C 21.570 0.400 1 1161 131 131 VAL CG2 C 22.461 0.400 1 1162 131 131 VAL N N 120.570 0.400 1 1163 132 132 VAL H H 7.712 0.020 1 1164 132 132 VAL HA H 3.195 0.020 1 1165 132 132 VAL HB H 1.978 0.020 1 1166 132 132 VAL HG1 H 0.745 0.020 2 1167 132 132 VAL HG2 H 1.205 0.020 2 1168 132 132 VAL CA C 66.806 0.400 1 1169 132 132 VAL CB C 31.279 0.400 1 1170 132 132 VAL CG1 C 20.825 0.400 1 1171 132 132 VAL CG2 C 23.126 0.400 1 1172 132 132 VAL N N 120.613 0.400 1 1173 133 133 ALA H H 8.030 0.020 1 1174 133 133 ALA HA H 3.807 0.020 1 1175 133 133 ALA HB H 1.185 0.020 1 1176 133 133 ALA CA C 55.117 0.400 1 1177 133 133 ALA CB C 17.089 0.400 1 1178 133 133 ALA N N 119.854 0.400 1 1179 134 134 MET H H 7.677 0.020 1 1180 134 134 MET HA H 4.207 0.020 1 1181 134 134 MET HB2 H 2.047 0.020 2 1182 134 134 MET HB3 H 2.287 0.020 2 1183 134 134 MET HG2 H 2.737 0.020 2 1184 134 134 MET HG3 H 2.525 0.020 2 1185 134 134 MET HE H 2.048 0.020 1 1186 134 134 MET CA C 58.491 0.400 1 1187 134 134 MET CB C 32.293 0.400 1 1188 134 134 MET CG C 32.070 0.400 1 1189 134 134 MET CE C 16.768 0.400 1 1190 134 134 MET N N 118.549 0.400 1 1191 135 135 ILE H H 8.278 0.020 1 1192 135 135 ILE HA H 3.221 0.020 1 1193 135 135 ILE HB H 1.748 0.020 1 1194 135 135 ILE HG12 H 1.770 0.020 2 1195 135 135 ILE HG13 H 0.417 0.020 2 1196 135 135 ILE HG2 H 0.781 0.020 1 1197 135 135 ILE HD1 H 0.087 0.020 1 1198 135 135 ILE CA C 66.024 0.400 1 1199 135 135 ILE CB C 38.160 0.400 1 1200 135 135 ILE CG1 C 29.460 0.400 1 1201 135 135 ILE CG2 C 17.360 0.400 1 1202 135 135 ILE CD1 C 13.901 0.400 1 1203 135 135 ILE N N 121.368 0.400 1 1204 136 136 LYS H H 8.071 0.020 1 1205 136 136 LYS HA H 3.605 0.020 1 1206 136 136 LYS HB2 H 1.736 0.020 2 1207 136 136 LYS HB3 H 1.503 0.020 2 1208 136 136 LYS HG2 H 0.921 0.020 2 1209 136 136 LYS HG3 H 0.645 0.020 2 1210 136 136 LYS HD2 H 1.304 0.020 2 1211 136 136 LYS HD3 H 1.360 0.020 2 1212 136 136 LYS HE2 H 2.599 0.020 2 1213 136 136 LYS HE3 H 2.378 0.020 2 1214 136 136 LYS CA C 60.380 0.400 1 1215 136 136 LYS CB C 31.690 0.400 1 1216 136 136 LYS CG C 25.644 0.400 1 1217 136 136 LYS CD C 29.552 0.400 1 1218 136 136 LYS CE C 41.856 0.400 1 1219 136 136 LYS N N 117.435 0.400 1 1220 137 137 GLU H H 7.969 0.020 1 1221 137 137 GLU HA H 4.102 0.020 1 1222 137 137 GLU HB2 H 2.160 0.020 2 1223 137 137 GLU HB3 H 2.118 0.020 2 1224 137 137 GLU HG2 H 2.197 0.020 2 1225 137 137 GLU HG3 H 2.163 0.020 2 1226 137 137 GLU CA C 59.390 0.400 1 1227 137 137 GLU CB C 29.187 0.400 1 1228 137 137 GLU CG C 35.586 0.400 1 1229 137 137 GLU N N 118.984 0.400 1 1230 138 138 LEU H H 8.310 0.020 1 1231 138 138 LEU HA H 3.921 0.020 1 1232 138 138 LEU HB2 H 1.867 0.020 2 1233 138 138 LEU HB3 H 1.329 0.020 2 1234 138 138 LEU HG H 1.687 0.020 1 1235 138 138 LEU HD1 H 0.799 0.020 2 1236 138 138 LEU HD2 H 0.539 0.020 2 1237 138 138 LEU CA C 58.007 0.400 1 1238 138 138 LEU CB C 41.541 0.400 1 1239 138 138 LEU CG C 27.113 0.400 1 1240 138 138 LEU CD1 C 26.441 0.400 1 1241 138 138 LEU CD2 C 22.836 0.400 1 1242 138 138 LEU N N 121.335 0.400 1 1243 139 139 LEU H H 8.656 0.020 1 1244 139 139 LEU HA H 4.001 0.020 1 1245 139 139 LEU HB2 H 2.236 0.020 2 1246 139 139 LEU HB3 H 1.262 0.020 2 1247 139 139 LEU HG H 1.991 0.020 1 1248 139 139 LEU HD1 H 0.919 0.020 2 1249 139 139 LEU HD2 H 0.831 0.020 2 1250 139 139 LEU CA C 58.400 0.400 1 1251 139 139 LEU CB C 41.541 0.400 1 1252 139 139 LEU CG C 26.770 0.400 1 1253 139 139 LEU CD1 C 26.726 0.400 1 1254 139 139 LEU CD2 C 23.559 0.400 1 1255 139 139 LEU N N 119.646 0.400 1 1256 140 140 ASP H H 8.916 0.020 1 1257 140 140 ASP HA H 4.430 0.020 1 1258 140 140 ASP HB2 H 2.854 0.020 2 1259 140 140 ASP HB3 H 2.614 0.020 2 1260 140 140 ASP CA C 57.864 0.400 1 1261 140 140 ASP CB C 40.158 0.400 1 1262 140 140 ASP N N 119.502 0.400 1 1263 141 141 THR H H 8.067 0.020 1 1264 141 141 THR HA H 4.429 0.020 1 1265 141 141 THR HB H 4.169 0.020 1 1266 141 141 THR HG2 H 1.316 0.020 1 1267 141 141 THR CA C 62.979 0.400 1 1268 141 141 THR CB C 70.945 0.400 1 1269 141 141 THR CG2 C 21.440 0.400 1 1270 141 141 THR N N 106.254 0.400 1 1271 142 142 ARG H H 8.072 0.020 1 1272 142 142 ARG HA H 4.754 0.020 1 1273 142 142 ARG HB2 H 1.966 0.020 1 1274 142 142 ARG HB3 H 1.966 0.020 1 1275 142 142 ARG HG2 H 1.675 0.020 2 1276 142 142 ARG HG3 H 1.742 0.020 2 1277 142 142 ARG HD2 H 3.067 0.020 2 1278 142 142 ARG HD3 H 3.187 0.020 2 1279 142 142 ARG CA C 56.454 0.400 1 1280 142 142 ARG CB C 31.578 0.400 1 1281 142 142 ARG CG C 27.310 0.400 1 1282 142 142 ARG CD C 42.361 0.400 1 1283 142 142 ARG N N 117.553 0.400 1 1284 143 143 ILE H H 7.447 0.020 1 1285 143 143 ILE HA H 4.404 0.020 1 1286 143 143 ILE HB H 2.250 0.020 1 1287 143 143 ILE HG12 H 1.427 0.020 2 1288 143 143 ILE HG13 H 1.465 0.020 2 1289 143 143 ILE HG2 H 0.897 0.020 1 1290 143 143 ILE HD1 H 0.850 0.020 1 1291 143 143 ILE CA C 61.598 0.400 1 1292 143 143 ILE CB C 39.023 0.400 1 1293 143 143 ILE CG1 C 27.466 0.400 1 1294 143 143 ILE CG2 C 17.360 0.400 1 1295 143 143 ILE CD1 C 11.305 0.400 1 1296 143 143 ILE N N 118.523 0.400 1 1297 144 144 ARG H H 9.355 0.020 1 1298 144 144 ARG HA H 3.975 0.020 1 1299 144 144 ARG HB2 H 1.925 0.020 2 1300 144 144 ARG HB3 H 2.253 0.020 2 1301 144 144 ARG HG2 H 1.824 0.020 1 1302 144 144 ARG HG3 H 1.824 0.020 1 1303 144 144 ARG HD2 H 3.499 0.020 2 1304 144 144 ARG HD3 H 3.456 0.020 2 1305 144 144 ARG HE H 8.684 0.020 1 1306 144 144 ARG CA C 62.134 0.400 1 1307 144 144 ARG CB C 28.571 0.400 1 1308 144 144 ARG CG C 29.141 0.400 1 1309 144 144 ARG CD C 43.827 0.400 1 1310 144 144 ARG N N 119.013 0.400 1 1311 145 145 PRO HA H 4.269 0.020 1 1312 145 145 PRO HB2 H 1.786 0.020 2 1313 145 145 PRO HB3 H 2.371 0.020 2 1314 145 145 PRO HG2 H 1.990 0.020 2 1315 145 145 PRO HG3 H 1.941 0.020 2 1316 145 145 PRO HD2 H 3.741 0.020 2 1317 145 145 PRO HD3 H 3.184 0.020 2 1318 145 145 PRO CA C 66.706 0.400 1 1319 145 145 PRO CB C 30.651 0.400 1 1320 145 145 PRO CG C 28.629 0.400 1 1321 145 145 PRO CD C 50.133 0.400 1 1322 146 146 THR H H 7.220 0.020 1 1323 146 146 THR HA H 4.037 0.020 1 1324 146 146 THR HB H 4.227 0.020 1 1325 146 146 THR HG2 H 1.261 0.020 1 1326 146 146 THR CA C 65.748 0.400 1 1327 146 146 THR CB C 68.724 0.400 1 1328 146 146 THR CG2 C 21.440 0.400 1 1329 146 146 THR N N 111.413 0.400 1 1330 147 147 VAL H H 7.540 0.020 1 1331 147 147 VAL HA H 3.878 0.020 1 1332 147 147 VAL HB H 1.960 0.020 1 1333 147 147 VAL HG1 H 0.830 0.020 2 1334 147 147 VAL HG2 H 0.997 0.020 2 1335 147 147 VAL CA C 65.089 0.400 1 1336 147 147 VAL CB C 31.898 0.400 1 1337 147 147 VAL CG1 C 21.246 0.400 1 1338 147 147 VAL CG2 C 22.234 0.400 1 1339 147 147 VAL N N 120.536 0.400 1 1340 148 148 GLN H H 8.829 0.020 1 1341 148 148 GLN HA H 4.797 0.020 1 1342 148 148 GLN HB2 H 2.206 0.020 2 1343 148 148 GLN HB3 H 1.983 0.020 2 1344 148 148 GLN HG2 H 2.568 0.020 2 1345 148 148 GLN HG3 H 2.740 0.020 2 1346 148 148 GLN HE21 H 7.470 0.020 2 1347 148 148 GLN HE22 H 6.803 0.020 2 1348 148 148 GLN CA C 57.887 0.400 1 1349 148 148 GLN CB C 27.232 0.400 1 1350 148 148 GLN CG C 33.720 0.400 1 1351 148 148 GLN N N 120.598 0.400 1 1352 148 148 GLN NE2 N 109.229 0.400 1 1353 149 149 GLU H H 7.713 0.020 1 1354 149 149 GLU HA H 4.076 0.020 1 1355 149 149 GLU HB2 H 2.187 0.020 2 1356 149 149 GLU HB3 H 2.145 0.020 2 1357 149 149 GLU HG2 H 2.498 0.020 2 1358 149 149 GLU HG3 H 2.363 0.020 2 1359 149 149 GLU CA C 59.238 0.400 1 1360 149 149 GLU CB C 28.788 0.400 1 1361 149 149 GLU CG C 36.010 0.400 1 1362 149 149 GLU N N 121.804 0.400 1 1363 150 150 ASP H H 7.298 0.020 1 1364 150 150 ASP HA H 4.912 0.020 1 1365 150 150 ASP HB2 H 2.889 0.020 2 1366 150 150 ASP HB3 H 2.633 0.020 2 1367 150 150 ASP CA C 53.684 0.400 1 1368 150 150 ASP CB C 41.535 0.400 1 1369 150 150 ASP N N 116.230 0.400 1 1370 151 151 GLY H H 7.952 0.020 1 1371 151 151 GLY HA2 H 4.301 0.020 2 1372 151 151 GLY HA3 H 3.897 0.020 2 1373 151 151 GLY CA C 45.892 0.400 1 1374 151 151 GLY N N 107.221 0.400 1 1375 152 152 GLY H H 8.046 0.020 1 1376 152 152 GLY HA2 H 4.783 0.020 2 1377 152 152 GLY HA3 H 3.858 0.020 2 1378 152 152 GLY CA C 44.539 0.400 1 1379 152 152 GLY N N 110.809 0.400 1 1380 153 153 ASP H H 8.139 0.020 1 1381 153 153 ASP HA H 4.778 0.020 1 1382 153 153 ASP HB2 H 2.717 0.020 2 1383 153 153 ASP HB3 H 2.367 0.020 2 1384 153 153 ASP CA C 53.546 0.400 1 1385 153 153 ASP CB C 43.477 0.400 1 1386 153 153 ASP N N 114.822 0.400 1 1387 154 154 VAL H H 9.186 0.020 1 1388 154 154 VAL HA H 4.679 0.020 1 1389 154 154 VAL HB H 1.878 0.020 1 1390 154 154 VAL HG1 H 0.891 0.020 2 1391 154 154 VAL HG2 H 0.924 0.020 2 1392 154 154 VAL CA C 60.666 0.400 1 1393 154 154 VAL CB C 34.481 0.400 1 1394 154 154 VAL CG1 C 22.403 0.400 1 1395 154 154 VAL CG2 C 21.542 0.400 1 1396 154 154 VAL N N 119.036 0.400 1 1397 155 155 ILE H H 9.017 0.020 1 1398 155 155 ILE HA H 4.407 0.020 1 1399 155 155 ILE HB H 1.836 0.020 1 1400 155 155 ILE HG12 H 1.264 0.020 2 1401 155 155 ILE HG13 H 1.148 0.020 2 1402 155 155 ILE HG2 H 0.886 0.020 1 1403 155 155 ILE HD1 H 0.700 0.020 1 1404 155 155 ILE CA C 58.330 0.400 1 1405 155 155 ILE CB C 39.987 0.400 1 1406 155 155 ILE CG1 C 27.011 0.400 1 1407 155 155 ILE CG2 C 17.109 0.400 1 1408 155 155 ILE CD1 C 11.646 0.400 1 1409 155 155 ILE N N 125.064 0.400 1 1410 156 156 TYR H H 9.150 0.020 1 1411 156 156 TYR HA H 4.058 0.020 1 1412 156 156 TYR HB2 H 2.831 0.020 1 1413 156 156 TYR HB3 H 2.831 0.020 1 1414 156 156 TYR HD1 H 6.756 0.020 1 1415 156 156 TYR HD2 H 6.756 0.020 1 1416 156 156 TYR HE1 H 6.616 0.020 1 1417 156 156 TYR HE2 H 6.616 0.020 1 1418 156 156 TYR CA C 60.490 0.400 1 1419 156 156 TYR CB C 38.387 0.400 1 1420 156 156 TYR CD1 C 131.954 0.400 1 1421 156 156 TYR CD2 C 132.260 0.400 1 1422 156 156 TYR CE1 C 117.938 0.400 1 1423 156 156 TYR CE2 C 117.978 0.400 1 1424 156 156 TYR N N 128.387 0.400 1 1425 157 157 LYS H H 8.245 0.020 1 1426 157 157 LYS HA H 4.472 0.020 1 1427 157 157 LYS HB2 H 1.671 0.020 2 1428 157 157 LYS HB3 H 1.192 0.020 2 1429 157 157 LYS HG2 H 1.160 0.020 2 1430 157 157 LYS HG3 H 1.330 0.020 2 1431 157 157 LYS HD2 H 1.602 0.020 1 1432 157 157 LYS HD3 H 1.602 0.020 1 1433 157 157 LYS HE2 H 2.902 0.020 2 1434 157 157 LYS HE3 H 2.696 0.020 2 1435 157 157 LYS CA C 54.210 0.400 1 1436 157 157 LYS CB C 32.750 0.400 1 1437 157 157 LYS CG C 23.536 0.400 1 1438 157 157 LYS CD C 27.748 0.400 1 1439 157 157 LYS CE C 41.554 0.400 1 1440 157 157 LYS N N 125.580 0.400 1 1441 158 158 GLY H H 6.584 0.020 1 1442 158 158 GLY HA2 H 4.197 0.020 2 1443 158 158 GLY HA3 H 3.757 0.020 2 1444 158 158 GLY CA C 45.783 0.400 1 1445 158 158 GLY N N 106.628 0.400 1 1446 159 159 PHE H H 8.319 0.020 1 1447 159 159 PHE HA H 5.599 0.020 1 1448 159 159 PHE HB2 H 3.489 0.020 2 1449 159 159 PHE HB3 H 2.904 0.020 2 1450 159 159 PHE HD1 H 7.064 0.020 1 1451 159 159 PHE HD2 H 7.064 0.020 1 1452 159 159 PHE HE1 H 7.216 0.020 1 1453 159 159 PHE HE2 H 7.216 0.020 1 1454 159 159 PHE HZ H 7.012 0.020 1 1455 159 159 PHE CA C 55.945 0.400 1 1456 159 159 PHE CB C 40.635 0.400 1 1457 159 159 PHE CD1 C 131.092 0.400 1 1458 159 159 PHE CD2 C 131.330 0.400 1 1459 159 159 PHE CE1 C 131.135 0.400 1 1460 159 159 PHE CE2 C 131.207 0.400 1 1461 159 159 PHE CZ C 128.858 0.400 1 1462 159 159 PHE N N 119.640 0.400 1 1463 160 160 GLU H H 8.225 0.020 1 1464 160 160 GLU HA H 4.345 0.020 1 1465 160 160 GLU HB2 H 1.791 0.020 2 1466 160 160 GLU HB3 H 1.719 0.020 2 1467 160 160 GLU HG2 H 2.091 0.020 2 1468 160 160 GLU HG3 H 2.187 0.020 2 1469 160 160 GLU CA C 54.787 0.400 1 1470 160 160 GLU CB C 32.316 0.400 1 1471 160 160 GLU CG C 35.664 0.400 1 1472 160 160 GLU N N 126.042 0.400 1 1473 161 161 ASP H H 9.205 0.020 1 1474 161 161 ASP HA H 4.142 0.020 1 1475 161 161 ASP HB2 H 2.851 0.020 2 1476 161 161 ASP HB3 H 2.481 0.020 2 1477 161 161 ASP CA C 55.054 0.400 1 1478 161 161 ASP CB C 39.679 0.400 1 1479 161 161 ASP N N 127.458 0.400 1 1480 162 162 GLY H H 7.642 0.020 1 1481 162 162 GLY HA2 H 4.117 0.020 2 1482 162 162 GLY HA3 H 3.598 0.020 2 1483 162 162 GLY CA C 45.474 0.400 1 1484 162 162 GLY N N 101.594 0.400 1 1485 163 163 ILE H H 7.781 0.020 1 1486 163 163 ILE HA H 4.555 0.020 1 1487 163 163 ILE HB H 2.089 0.020 1 1488 163 163 ILE HG12 H 1.300 0.020 2 1489 163 163 ILE HG13 H 1.216 0.020 2 1490 163 163 ILE HG2 H 0.618 0.020 1 1491 163 163 ILE HD1 H 0.586 0.020 1 1492 163 163 ILE CA C 57.856 0.400 1 1493 163 163 ILE CB C 36.999 0.400 1 1494 163 163 ILE CG1 C 26.099 0.400 1 1495 163 163 ILE CG2 C 17.642 0.400 1 1496 163 163 ILE CD1 C 9.211 0.400 1 1497 163 163 ILE N N 122.351 0.400 1 1498 164 164 VAL H H 8.706 0.020 1 1499 164 164 VAL HA H 4.633 0.020 1 1500 164 164 VAL HB H 2.252 0.020 1 1501 164 164 VAL HG1 H 1.116 0.020 2 1502 164 164 VAL HG2 H 1.296 0.020 2 1503 164 164 VAL CA C 62.492 0.400 1 1504 164 164 VAL CB C 32.657 0.400 1 1505 164 164 VAL CG1 C 21.445 0.400 1 1506 164 164 VAL CG2 C 24.242 0.400 1 1507 164 164 VAL N N 128.026 0.400 1 1508 165 165 GLN H H 8.978 0.020 1 1509 165 165 GLN HA H 4.912 0.020 1 1510 165 165 GLN HB2 H 1.678 0.020 2 1511 165 165 GLN HB3 H 1.536 0.020 2 1512 165 165 GLN HG2 H 2.106 0.020 2 1513 165 165 GLN HG3 H 2.201 0.020 2 1514 165 165 GLN HE21 H 7.204 0.020 2 1515 165 165 GLN HE22 H 6.622 0.020 2 1516 165 165 GLN CA C 54.132 0.400 1 1517 165 165 GLN CB C 28.559 0.400 1 1518 165 165 GLN CG C 32.514 0.400 1 1519 165 165 GLN N N 128.503 0.400 1 1520 165 165 GLN NE2 N 110.178 0.400 1 1521 166 166 LEU H H 8.742 0.020 1 1522 166 166 LEU HA H 5.069 0.020 1 1523 166 166 LEU HB2 H 1.405 0.020 2 1524 166 166 LEU HB3 H 1.240 0.020 2 1525 166 166 LEU HG H 1.615 0.020 1 1526 166 166 LEU HD1 H 0.751 0.020 2 1527 166 166 LEU HD2 H 0.882 0.020 2 1528 166 166 LEU CA C 52.610 0.400 1 1529 166 166 LEU CB C 45.813 0.400 1 1530 166 166 LEU CG C 25.689 0.400 1 1531 166 166 LEU CD1 C 26.096 0.400 1 1532 166 166 LEU CD2 C 24.730 0.400 1 1533 166 166 LEU N N 121.776 0.400 1 1534 167 167 LYS H H 9.215 0.020 1 1535 167 167 LYS HA H 4.916 0.020 1 1536 167 167 LYS HB2 H 1.771 0.020 2 1537 167 167 LYS HB3 H 1.478 0.020 2 1538 167 167 LYS HG2 H 1.431 0.020 2 1539 167 167 LYS HG3 H 1.210 0.020 2 1540 167 167 LYS HD2 H 1.688 0.020 2 1541 167 167 LYS HD3 H 1.562 0.020 2 1542 167 167 LYS HE2 H 2.899 0.020 1 1543 167 167 LYS HE3 H 2.899 0.020 1 1544 167 167 LYS CA C 54.891 0.400 1 1545 167 167 LYS CB C 34.559 0.400 1 1546 167 167 LYS CG C 24.910 0.400 1 1547 167 167 LYS CD C 29.427 0.400 1 1548 167 167 LYS CE C 41.780 0.400 1 1549 167 167 LYS N N 123.326 0.400 1 1550 168 168 LEU H H 8.947 0.020 1 1551 168 168 LEU HA H 4.905 0.020 1 1552 168 168 LEU HB2 H 1.643 0.020 2 1553 168 168 LEU HB3 H 1.292 0.020 2 1554 168 168 LEU HG H 1.573 0.020 1 1555 168 168 LEU HD1 H 0.775 0.020 2 1556 168 168 LEU HD2 H 0.816 0.020 2 1557 168 168 LEU CA C 53.535 0.400 1 1558 168 168 LEU CB C 42.868 0.400 1 1559 168 168 LEU CG C 27.740 0.400 1 1560 168 168 LEU CD1 C 24.960 0.400 1 1561 168 168 LEU CD2 C 25.025 0.400 1 1562 168 168 LEU N N 127.223 0.400 1 1563 169 169 GLN H H 8.355 0.020 1 1564 169 169 GLN HA H 4.733 0.020 1 1565 169 169 GLN HB2 H 1.987 0.020 2 1566 169 169 GLN HB3 H 1.772 0.020 2 1567 169 169 GLN HG2 H 2.159 0.020 1 1568 169 169 GLN HG3 H 2.159 0.020 1 1569 169 169 GLN HE21 H 7.407 0.020 2 1570 169 169 GLN HE22 H 6.803 0.020 2 1571 169 169 GLN CA C 54.102 0.400 1 1572 169 169 GLN CB C 32.731 0.400 1 1573 169 169 GLN CG C 33.720 0.400 1 1574 169 169 GLN N N 119.616 0.400 1 1575 169 169 GLN NE2 N 111.056 0.400 1 1576 170 170 GLY H H 8.838 0.020 1 1577 170 170 GLY HA2 H 4.307 0.020 2 1578 170 170 GLY HA3 H 3.953 0.020 2 1579 170 170 GLY CA C 45.081 0.400 1 1580 170 170 GLY N N 110.199 0.400 1 1581 171 171 SER H H 8.648 0.020 1 1582 171 171 SER HA H 4.286 0.020 1 1583 171 171 SER HB2 H 4.066 0.020 2 1584 171 171 SER HB3 H 3.942 0.020 2 1585 171 171 SER CA C 59.961 0.400 1 1586 171 171 SER CB C 63.368 0.400 1 1587 171 171 SER N N 119.689 0.400 1 1588 172 172 CYS H H 7.979 0.020 1 1589 172 172 CYS HA H 4.430 0.020 1 1590 172 172 CYS HB2 H 2.851 0.020 2 1591 172 172 CYS HB3 H 3.072 0.020 2 1592 172 172 CYS CA C 59.621 0.400 1 1593 172 172 CYS CB C 27.349 0.400 1 1594 172 172 CYS N N 118.348 0.400 1 1595 173 173 THR H H 7.831 0.020 1 1596 173 173 THR HA H 4.354 0.020 1 1597 173 173 THR HB H 4.447 0.020 1 1598 173 173 THR HG2 H 1.087 0.020 1 1599 173 173 THR CA C 61.487 0.400 1 1600 173 173 THR CB C 69.208 0.400 1 1601 173 173 THR CG2 C 21.760 0.400 1 1602 173 173 THR N N 108.537 0.400 1 1603 174 174 SER H H 7.683 0.020 1 1604 174 174 SER HA H 4.258 0.020 1 1605 174 174 SER HB2 H 3.987 0.020 1 1606 174 174 SER HB3 H 3.987 0.020 1 1607 174 174 SER CA C 59.951 0.400 1 1608 174 174 SER CB C 63.767 0.400 1 1609 174 174 SER N N 116.564 0.400 1 1610 175 175 CYS H H 7.804 0.020 1 1611 175 175 CYS HA H 5.112 0.020 1 1612 175 175 CYS HB2 H 3.168 0.020 2 1613 175 175 CYS HB3 H 3.074 0.020 2 1614 175 175 CYS CA C 55.687 0.400 1 1615 175 175 CYS CB C 27.838 0.400 1 1616 175 175 CYS N N 117.516 0.400 1 1617 176 176 PRO HA H 4.273 0.020 1 1618 176 176 PRO HB2 H 2.049 0.020 2 1619 176 176 PRO HB3 H 2.446 0.020 2 1620 176 176 PRO HG2 H 2.054 0.020 2 1621 176 176 PRO HG3 H 2.230 0.020 2 1622 176 176 PRO HD2 H 3.925 0.020 2 1623 176 176 PRO HD3 H 3.959 0.020 2 1624 176 176 PRO CA C 65.815 0.400 1 1625 176 176 PRO CB C 31.533 0.400 1 1626 176 176 PRO CG C 27.140 0.400 1 1627 176 176 PRO CD C 50.857 0.400 1 1628 177 177 SER H H 8.460 0.020 1 1629 177 177 SER HA H 4.273 0.020 1 1630 177 177 SER HB2 H 3.945 0.020 2 1631 177 177 SER HB3 H 3.991 0.020 2 1632 177 177 SER CA C 61.320 0.400 1 1633 177 177 SER CB C 62.291 0.400 1 1634 177 177 SER N N 111.889 0.400 1 1635 178 178 SER H H 7.937 0.020 1 1636 178 178 SER HA H 4.366 0.020 1 1637 178 178 SER HB2 H 4.015 0.020 2 1638 178 178 SER HB3 H 4.101 0.020 2 1639 178 178 SER CA C 61.064 0.400 1 1640 178 178 SER CB C 62.808 0.400 1 1641 178 178 SER N N 119.924 0.400 1 1642 179 179 ILE H H 7.672 0.020 1 1643 179 179 ILE HA H 3.692 0.020 1 1644 179 179 ILE HB H 2.023 0.020 1 1645 179 179 ILE HG12 H 1.778 0.020 2 1646 179 179 ILE HG13 H 1.096 0.020 2 1647 179 179 ILE HG2 H 0.877 0.020 1 1648 179 179 ILE HD1 H 0.837 0.020 1 1649 179 179 ILE CA C 64.851 0.400 1 1650 179 179 ILE CB C 37.751 0.400 1 1651 179 179 ILE CG1 C 28.948 0.400 1 1652 179 179 ILE CG2 C 17.117 0.400 1 1653 179 179 ILE CD1 C 12.720 0.400 1 1654 179 179 ILE N N 123.546 0.400 1 1655 180 180 ILE H H 7.752 0.020 1 1656 180 180 ILE HA H 3.684 0.020 1 1657 180 180 ILE HB H 1.966 0.020 1 1658 180 180 ILE HG12 H 1.678 0.020 2 1659 180 180 ILE HG13 H 1.278 0.020 2 1660 180 180 ILE HG2 H 0.968 0.020 1 1661 180 180 ILE HD1 H 0.892 0.020 1 1662 180 180 ILE CA C 64.729 0.400 1 1663 180 180 ILE CB C 38.030 0.400 1 1664 180 180 ILE CG1 C 28.891 0.400 1 1665 180 180 ILE CG2 C 17.053 0.400 1 1666 180 180 ILE CD1 C 12.530 0.400 1 1667 180 180 ILE N N 119.783 0.400 1 1668 181 181 THR H H 7.860 0.020 1 1669 181 181 THR HA H 3.973 0.020 1 1670 181 181 THR HB H 4.224 0.020 1 1671 181 181 THR HG2 H 1.276 0.020 1 1672 181 181 THR CA C 66.019 0.400 1 1673 181 181 THR CB C 68.659 0.400 1 1674 181 181 THR CG2 C 21.766 0.400 1 1675 181 181 THR N N 116.062 0.400 1 1676 182 182 LEU H H 8.009 0.020 1 1677 182 182 LEU HA H 4.257 0.020 1 1678 182 182 LEU HB2 H 1.736 0.020 2 1679 182 182 LEU HB3 H 1.870 0.020 2 1680 182 182 LEU HG H 1.496 0.020 1 1681 182 182 LEU HD1 H 0.923 0.020 2 1682 182 182 LEU HD2 H 0.916 0.020 2 1683 182 182 LEU CA C 58.006 0.400 1 1684 182 182 LEU CB C 41.870 0.400 1 1685 182 182 LEU CG C 26.999 0.400 1 1686 182 182 LEU CD1 C 23.308 0.400 1 1687 182 182 LEU CD2 C 26.357 0.400 1 1688 182 182 LEU N N 124.265 0.400 1 1689 183 183 LYS H H 8.756 0.020 1 1690 183 183 LYS HA H 3.618 0.020 1 1691 183 183 LYS HB2 H 1.878 0.020 1 1692 183 183 LYS HB3 H 1.878 0.020 1 1693 183 183 LYS HG2 H 1.616 0.020 2 1694 183 183 LYS HG3 H 1.262 0.020 2 1695 183 183 LYS HD2 H 1.650 0.020 1 1696 183 183 LYS HD3 H 1.650 0.020 1 1697 183 183 LYS HE2 H 2.965 0.020 1 1698 183 183 LYS HE3 H 2.965 0.020 1 1699 183 183 LYS CA C 61.381 0.400 1 1700 183 183 LYS CB C 31.566 0.400 1 1701 183 183 LYS CG C 25.245 0.400 1 1702 183 183 LYS CD C 29.608 0.400 1 1703 183 183 LYS CE C 41.172 0.400 1 1704 183 183 LYS N N 119.101 0.400 1 1705 184 184 ASN H H 8.422 0.020 1 1706 184 184 ASN HA H 4.416 0.020 1 1707 184 184 ASN HB2 H 2.928 0.020 2 1708 184 184 ASN HB3 H 2.792 0.020 2 1709 184 184 ASN HD21 H 7.648 0.020 2 1710 184 184 ASN HD22 H 6.933 0.020 2 1711 184 184 ASN CA C 55.897 0.400 1 1712 184 184 ASN CB C 37.763 0.400 1 1713 184 184 ASN N N 116.619 0.400 1 1714 184 184 ASN ND2 N 111.658 0.400 1 1715 185 185 GLY H H 8.275 0.020 1 1716 185 185 GLY HA2 H 4.069 0.020 2 1717 185 185 GLY HA3 H 3.935 0.020 2 1718 185 185 GLY CA C 46.682 0.400 1 1719 185 185 GLY N N 108.916 0.400 1 1720 186 186 ILE H H 8.645 0.020 1 1721 186 186 ILE HA H 3.600 0.020 1 1722 186 186 ILE HB H 1.896 0.020 1 1723 186 186 ILE HG12 H 0.822 0.020 2 1724 186 186 ILE HG13 H 2.114 0.020 2 1725 186 186 ILE HG2 H 0.844 0.020 1 1726 186 186 ILE HD1 H 0.737 0.020 1 1727 186 186 ILE CA C 66.093 0.400 1 1728 186 186 ILE CB C 38.099 0.400 1 1729 186 186 ILE CG1 C 29.005 0.400 1 1730 186 186 ILE CG2 C 17.560 0.400 1 1731 186 186 ILE CD1 C 14.747 0.400 1 1732 186 186 ILE N N 123.034 0.400 1 1733 187 187 GLN H H 8.720 0.020 1 1734 187 187 GLN HA H 3.616 0.020 1 1735 187 187 GLN HB2 H 2.216 0.020 1 1736 187 187 GLN HB3 H 2.216 0.020 1 1737 187 187 GLN HG2 H 2.379 0.020 2 1738 187 187 GLN HG3 H 1.812 0.020 2 1739 187 187 GLN HE21 H 7.404 0.020 2 1740 187 187 GLN HE22 H 6.936 0.020 2 1741 187 187 GLN CA C 60.698 0.400 1 1742 187 187 GLN CB C 28.026 0.400 1 1743 187 187 GLN CG C 33.482 0.400 1 1744 187 187 GLN N N 119.616 0.400 1 1745 187 187 GLN NE2 N 111.111 0.400 1 1746 188 188 ASN H H 8.403 0.020 1 1747 188 188 ASN HA H 4.454 0.020 1 1748 188 188 ASN HB2 H 2.910 0.020 2 1749 188 188 ASN HB3 H 2.784 0.020 2 1750 188 188 ASN HD21 H 7.636 0.020 2 1751 188 188 ASN HD22 H 6.859 0.020 2 1752 188 188 ASN CA C 56.135 0.400 1 1753 188 188 ASN CB C 38.137 0.400 1 1754 188 188 ASN N N 115.667 0.400 1 1755 188 188 ASN ND2 N 111.851 0.400 1 1756 189 189 MET H H 7.755 0.020 1 1757 189 189 MET HA H 4.276 0.020 1 1758 189 189 MET HB2 H 2.165 0.020 2 1759 189 189 MET HB3 H 2.330 0.020 2 1760 189 189 MET HG2 H 2.571 0.020 2 1761 189 189 MET HG3 H 2.822 0.020 2 1762 189 189 MET HE H 2.048 0.020 1 1763 189 189 MET CA C 59.130 0.400 1 1764 189 189 MET CB C 32.020 0.400 1 1765 189 189 MET CG C 31.898 0.400 1 1766 189 189 MET CE C 16.768 0.400 1 1767 189 189 MET N N 119.276 0.400 1 1768 190 190 LEU H H 8.693 0.020 1 1769 190 190 LEU HA H 4.069 0.020 1 1770 190 190 LEU HB2 H 2.008 0.020 2 1771 190 190 LEU HB3 H 1.310 0.020 2 1772 190 190 LEU HG H 2.037 0.020 1 1773 190 190 LEU HD1 H 0.862 0.020 2 1774 190 190 LEU HD2 H 0.925 0.020 2 1775 190 190 LEU CA C 58.355 0.400 1 1776 190 190 LEU CB C 42.516 0.400 1 1777 190 190 LEU CG C 26.770 0.400 1 1778 190 190 LEU CD1 C 27.239 0.400 1 1779 190 190 LEU CD2 C 24.100 0.400 1 1780 190 190 LEU N N 116.048 0.400 1 1781 191 191 GLN H H 8.499 0.020 1 1782 191 191 GLN HA H 4.199 0.020 1 1783 191 191 GLN HB2 H 2.198 0.020 2 1784 191 191 GLN HB3 H 2.015 0.020 2 1785 191 191 GLN HG2 H 2.602 0.020 2 1786 191 191 GLN HG3 H 2.487 0.020 2 1787 191 191 GLN HE21 H 7.533 0.020 2 1788 191 191 GLN HE22 H 6.802 0.020 2 1789 191 191 GLN CA C 58.444 0.400 1 1790 191 191 GLN CB C 28.726 0.400 1 1791 191 191 GLN CG C 35.248 0.400 1 1792 191 191 GLN N N 114.097 0.400 1 1793 191 191 GLN NE2 N 111.249 0.400 1 1794 192 192 PHE H H 7.566 0.020 1 1795 192 192 PHE HA H 4.036 0.020 1 1796 192 192 PHE HB2 H 3.173 0.020 2 1797 192 192 PHE HB3 H 2.919 0.020 2 1798 192 192 PHE HD1 H 6.383 0.020 1 1799 192 192 PHE HD2 H 6.383 0.020 1 1800 192 192 PHE HE1 H 7.066 0.020 1 1801 192 192 PHE HE2 H 7.066 0.020 1 1802 192 192 PHE HZ H 7.147 0.020 1 1803 192 192 PHE CA C 60.659 0.400 1 1804 192 192 PHE CB C 38.707 0.400 1 1805 192 192 PHE CD1 C 131.542 0.400 1 1806 192 192 PHE CD2 C 131.514 0.400 1 1807 192 192 PHE CE1 C 131.381 0.400 1 1808 192 192 PHE CE2 C 131.055 0.400 1 1809 192 192 PHE CZ C 129.288 0.400 1 1810 192 192 PHE N N 118.523 0.400 1 1811 193 193 TYR H H 7.079 0.020 1 1812 193 193 TYR HA H 4.400 0.020 1 1813 193 193 TYR HB2 H 3.251 0.020 2 1814 193 193 TYR HB3 H 2.697 0.020 2 1815 193 193 TYR HD1 H 7.486 0.020 1 1816 193 193 TYR HD2 H 7.486 0.020 1 1817 193 193 TYR HE1 H 6.926 0.020 1 1818 193 193 TYR HE2 H 6.926 0.020 1 1819 193 193 TYR CA C 60.131 0.400 1 1820 193 193 TYR CB C 41.612 0.400 1 1821 193 193 TYR CD1 C 134.018 0.400 1 1822 193 193 TYR CD2 C 134.113 0.400 1 1823 193 193 TYR CE1 C 117.970 0.400 1 1824 193 193 TYR CE2 C 117.839 0.400 1 1825 193 193 TYR N N 112.470 0.400 1 1826 194 194 ILE H H 8.662 0.020 1 1827 194 194 ILE HA H 4.583 0.020 1 1828 194 194 ILE HB H 2.114 0.020 1 1829 194 194 ILE HG12 H 1.551 0.020 2 1830 194 194 ILE HG13 H 1.016 0.020 2 1831 194 194 ILE HG2 H 0.932 0.020 1 1832 194 194 ILE HD1 H 0.756 0.020 1 1833 194 194 ILE CA C 58.704 0.400 1 1834 194 194 ILE CB C -34.477 0.400 1 1835 194 194 ILE CG1 C 26.099 0.400 1 1836 194 194 ILE CG2 C 19.369 0.400 1 1837 194 194 ILE CD1 C 15.367 0.400 1 1838 194 194 ILE N N 120.281 0.400 1 1839 195 195 PRO HA H 4.392 0.020 1 1840 195 195 PRO HB2 H 1.818 0.020 2 1841 195 195 PRO HB3 H 2.308 0.020 2 1842 195 195 PRO HG2 H 1.905 0.020 2 1843 195 195 PRO HG3 H 1.971 0.020 2 1844 195 195 PRO HD2 H 3.578 0.020 2 1845 195 195 PRO HD3 H 3.918 0.020 2 1846 195 195 PRO CA C 64.540 0.400 1 1847 195 195 PRO CB C 31.569 0.400 1 1848 195 195 PRO CG C 27.140 0.400 1 1849 195 195 PRO CD C 50.515 0.400 1 1850 196 196 GLU H H 9.017 0.020 1 1851 196 196 GLU HA H 4.107 0.020 1 1852 196 196 GLU HB2 H 2.204 0.020 2 1853 196 196 GLU HB3 H 2.019 0.020 2 1854 196 196 GLU HG2 H 2.625 0.020 2 1855 196 196 GLU HG3 H 2.283 0.020 2 1856 196 196 GLU CA C 59.196 0.400 1 1857 196 196 GLU CB C 28.716 0.400 1 1858 196 196 GLU CG C 37.322 0.400 1 1859 196 196 GLU N N 114.971 0.400 1 1860 197 197 VAL H H 7.871 0.020 1 1861 197 197 VAL HA H 4.098 0.020 1 1862 197 197 VAL HB H 2.186 0.020 1 1863 197 197 VAL HG1 H 1.036 0.020 2 1864 197 197 VAL HG2 H 0.836 0.020 2 1865 197 197 VAL CA C 64.156 0.400 1 1866 197 197 VAL CB C 30.912 0.400 1 1867 197 197 VAL CG1 C 21.577 0.400 1 1868 197 197 VAL CG2 C 22.009 0.400 1 1869 197 197 VAL N N 118.523 0.400 1 1870 198 198 GLU H H 10.052 0.020 1 1871 198 198 GLU HA H 4.421 0.020 1 1872 198 198 GLU HB2 H 2.159 0.020 2 1873 198 198 GLU HB3 H 1.759 0.020 2 1874 198 198 GLU HG2 H 2.255 0.020 2 1875 198 198 GLU HG3 H 2.385 0.020 2 1876 198 198 GLU CA C 56.232 0.400 1 1877 198 198 GLU CB C 31.013 0.400 1 1878 198 198 GLU CG C 36.296 0.400 1 1879 198 198 GLU N N 128.823 0.400 1 1880 199 199 GLY H H 7.829 0.020 1 1881 199 199 GLY HA2 H 4.080 0.020 2 1882 199 199 GLY HA3 H 4.025 0.020 2 1883 199 199 GLY CA C 45.130 0.400 1 1884 199 199 GLY N N 105.332 0.400 1 1885 200 200 VAL H H 8.179 0.020 1 1886 200 200 VAL HA H 5.207 0.020 1 1887 200 200 VAL HB H 1.942 0.020 1 1888 200 200 VAL HG1 H 0.836 0.020 2 1889 200 200 VAL HG2 H 0.866 0.020 2 1890 200 200 VAL CA C 59.972 0.400 1 1891 200 200 VAL CB C 35.715 0.400 1 1892 200 200 VAL CG1 C 21.599 0.400 1 1893 200 200 VAL CG2 C 21.310 0.400 1 1894 200 200 VAL N N 117.470 0.400 1 1895 201 201 GLU H H 9.151 0.020 1 1896 201 201 GLU HA H 4.635 0.020 1 1897 201 201 GLU HB2 H 1.724 0.020 2 1898 201 201 GLU HB3 H 1.804 0.020 2 1899 201 201 GLU HG2 H 2.086 0.020 2 1900 201 201 GLU HG3 H 2.185 0.020 2 1901 201 201 GLU CA C 54.137 0.400 1 1902 201 201 GLU CB C 33.757 0.400 1 1903 201 201 GLU CG C 35.461 0.400 1 1904 201 201 GLU N N 125.476 0.400 1 1905 202 202 GLN H H 8.885 0.020 1 1906 202 202 GLN HA H 5.107 0.020 1 1907 202 202 GLN HB2 H 2.035 0.020 2 1908 202 202 GLN HB3 H 1.669 0.020 2 1909 202 202 GLN HG2 H 2.302 0.020 1 1910 202 202 GLN HG3 H 2.302 0.020 1 1911 202 202 GLN HE21 H 7.780 0.020 2 1912 202 202 GLN HE22 H 6.658 0.020 2 1913 202 202 GLN CA C 54.232 0.400 1 1914 202 202 GLN CB C 29.194 0.400 1 1915 202 202 GLN CG C 33.720 0.400 1 1916 202 202 GLN N N 124.538 0.400 1 1917 202 202 GLN NE2 N 108.467 0.400 1 1918 203 203 VAL H H 8.598 0.020 1 1919 203 203 VAL HA H 4.307 0.020 1 1920 203 203 VAL HB H 1.915 0.020 1 1921 203 203 VAL HG1 H 0.833 0.020 2 1922 203 203 VAL HG2 H 0.714 0.020 2 1923 203 203 VAL CA C 60.704 0.400 1 1924 203 203 VAL CB C 33.080 0.400 1 1925 203 203 VAL CG1 C 21.380 0.400 1 1926 203 203 VAL CG2 C 19.992 0.400 1 1927 203 203 VAL N N 124.128 0.400 1 1928 204 204 MET H H 8.721 0.020 1 1929 204 204 MET HA H 4.625 0.020 1 1930 204 204 MET HB2 H 2.147 0.020 2 1931 204 204 MET HB3 H 1.969 0.020 2 1932 204 204 MET HG2 H 2.551 0.020 2 1933 204 204 MET HG3 H 2.636 0.020 2 1934 204 204 MET HE H 2.077 0.020 1 1935 204 204 MET CA C 54.562 0.400 1 1936 204 204 MET CB C 32.806 0.400 1 1937 204 204 MET CG C 32.070 0.400 1 1938 204 204 MET CE C 16.768 0.400 1 1939 204 204 MET N N 123.783 0.400 1 1940 205 205 ASP H H 8.401 0.020 1 1941 205 205 ASP HA H 4.597 0.020 1 1942 205 205 ASP HB2 H 2.670 0.020 2 1943 205 205 ASP HB3 H 2.601 0.020 2 1944 205 205 ASP CA C 54.327 0.400 1 1945 205 205 ASP CB C 41.242 0.400 1 1946 205 205 ASP N N 121.124 0.400 1 1947 206 206 ASP H H 8.427 0.020 1 1948 206 206 ASP HA H 4.595 0.020 1 1949 206 206 ASP HB2 H 2.676 0.020 2 1950 206 206 ASP HB3 H 2.603 0.020 2 1951 206 206 ASP CA C 53.983 0.400 1 1952 206 206 ASP CB C 41.172 0.400 1 1953 206 206 ASP N N 120.602 0.400 1 1954 207 207 GLU H H 8.480 0.020 1 1955 207 207 GLU HA H 4.297 0.020 1 1956 207 207 GLU HB2 H 2.091 0.020 2 1957 207 207 GLU HB3 H 1.946 0.020 2 1958 207 207 GLU HG2 H 2.230 0.020 2 1959 207 207 GLU HG3 H 2.280 0.020 2 1960 207 207 GLU CA C 56.483 0.400 1 1961 207 207 GLU CB C 29.714 0.400 1 1962 207 207 GLU CG C 36.010 0.400 1 1963 207 207 GLU N N 121.372 0.400 1 1964 208 208 SER H H 8.376 0.020 1 1965 208 208 SER HA H 4.416 0.020 1 1966 208 208 SER HB2 H 3.889 0.020 1 1967 208 208 SER HB3 H 3.889 0.020 1 1968 208 208 SER CA C 58.450 0.400 1 1969 208 208 SER CB C 63.836 0.400 1 1970 208 208 SER N N 116.554 0.400 1 1971 209 209 ASP H H 8.373 0.020 1 1972 209 209 ASP HA H 4.602 0.020 1 1973 209 209 ASP HB2 H 2.691 0.020 2 1974 209 209 ASP HB3 H 2.628 0.020 2 1975 209 209 ASP CA C 54.379 0.400 1 1976 209 209 ASP CB C 40.964 0.400 1 1977 209 209 ASP N N 122.731 0.400 1 1978 210 210 GLU H H 8.322 0.020 1 1979 210 210 GLU HA H 4.258 0.020 1 1980 210 210 GLU HB2 H 1.939 0.020 2 1981 210 210 GLU HB3 H 2.052 0.020 2 1982 210 210 GLU HG2 H 2.244 0.020 1 1983 210 210 GLU HG3 H 2.244 0.020 1 1984 210 210 GLU CA C 56.568 0.400 1 1985 210 210 GLU CB C 29.890 0.400 1 1986 210 210 GLU CG C 35.906 0.400 1 1987 210 210 GLU N N 121.170 0.400 1 1988 211 211 LYS H H 8.278 0.020 1 1989 211 211 LYS HA H 4.296 0.020 1 1990 211 211 LYS HB2 H 1.788 0.020 2 1991 211 211 LYS HB3 H 1.825 0.020 2 1992 211 211 LYS HG2 H 1.448 0.020 1 1993 211 211 LYS HG3 H 1.448 0.020 1 1994 211 211 LYS CA C 56.334 0.400 1 1995 211 211 LYS CB C 32.625 0.400 1 1996 211 211 LYS CG C 24.421 0.400 1 1997 211 211 LYS N N 122.081 0.400 1 1998 212 212 GLU H H 8.414 0.020 1 1999 212 212 GLU HA H 4.224 0.020 1 2000 212 212 GLU HB2 H 1.963 0.020 2 2001 212 212 GLU HB3 H 2.068 0.020 2 2002 212 212 GLU HG2 H 2.282 0.020 1 2003 212 212 GLU HG3 H 2.282 0.020 1 2004 212 212 GLU CA C 56.609 0.400 1 2005 212 212 GLU CB C 29.890 0.400 1 2006 212 212 GLU CG C 35.906 0.400 1 2007 212 212 GLU N N 121.686 0.400 1 2008 213 213 ALA H H 8.351 0.020 1 2009 213 213 ALA HA H 4.265 0.020 1 2010 213 213 ALA HB H 1.393 0.020 1 2011 213 213 ALA CA C 52.330 0.400 1 2012 213 213 ALA CB C 18.953 0.400 1 2013 213 213 ALA N N 125.025 0.400 1 2014 214 214 ASN H H 8.390 0.020 1 2015 214 214 ASN HA H 4.721 0.020 1 2016 214 214 ASN HB2 H 2.748 0.020 2 2017 214 214 ASN HB3 H 2.831 0.020 2 2018 214 214 ASN HD21 H 6.949 0.020 2 2019 214 214 ASN HD22 H 7.632 0.020 2 2020 214 214 ASN CA C 52.901 0.400 1 2021 214 214 ASN CB C 38.640 0.400 1 2022 214 214 ASN N N 117.485 0.400 1 2023 214 214 ASN ND2 N 113.149 0.400 1 2024 215 215 SER H H 8.154 0.020 1 2025 215 215 SER HA H 4.682 0.020 1 2026 215 215 SER HB2 H 3.819 0.020 1 2027 215 215 SER HB3 H 3.819 0.020 1 2028 215 215 SER CA C 56.628 0.400 1 2029 215 215 SER CB C 63.250 0.400 1 2030 215 215 SER N N 117.561 0.400 1 stop_ save_