data_26740 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for C-terminal intrinsically disordered cytosolic fragment of ErbB2 ; _BMRB_accession_number 26740 _BMRB_flat_file_name bmr26740.str _Entry_type original _Submission_date 2016-02-02 _Accession_date 2016-02-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Van Heijenoort' Carine . . 2 Wang 'Ying Hui' . . 3 Guerlesquin Francoise . . 4 Badache Ali . . 5 Lescop Ewen . . 6 Assrir Nadine . . 7 Pinet Louise . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1241 "13C chemical shifts" 994 "15N chemical shifts" 267 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-06-27 original BMRB . stop_ _Original_release_date 2016-02-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title . _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28905237 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang YingHui . . 2 Pinet Louise . . 3 Assrir Nadine . . 4 Elantak Latifa . . 5 Guerlesquin Francoise . . 6 Badache Ali . . 7 Lescop Ewen . . 8 'van Heijenoort' Carine . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 12 _Journal_issue 1 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 23 _Page_last 26 _Year 2018 _Details . loop_ _Keyword ErbB2 IDP NMR 'Tyrosine kinase receptor' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CtErbB2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CtErbB2 $Cterbb2 stop_ _System_molecular_weight 28711.5 _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details monomer save_ ######################## # Monomeric polymers # ######################## save_Cterbb2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Cterbb2 _Molecular_mass 28711.5 _Mol_thiol_state 'all free' loop_ _Biological_function 'Tyrosine kinase receptor' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 272 _Mol_residue_sequence ; GSHMVIQNEDLGPASPLDST FYRSLLEDDDMGDLVDAEEY LVPQQGFFCPDPAPGAGGMV HHRHRSSSTRSGGGDLTLGL EPSEEEAPRSPLAPSEGAGS DVFDGDLGMGAAKGLQSLPT HDPSPLQRYSEDPTVPLPSE TDGYVAPLTCSPQPEYVNQP DVRPQPPSPREGPLPAARPA GATLERPKTLSPGKNGVVKD VFAFGGAVENPEYLTPQGGA APQPHPPPAFSPAFDNLYYW DQDPPERGAPPSTFKGTPTA ENPEYLGLDVPV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 GLY 2 -2 SER 3 -1 HIS 4 0 MET 5 1 VAL 6 2 ILE 7 3 GLN 8 4 ASN 9 5 GLU 10 6 ASP 11 7 LEU 12 8 GLY 13 9 PRO 14 10 ALA 15 11 SER 16 12 PRO 17 13 LEU 18 14 ASP 19 15 SER 20 16 THR 21 17 PHE 22 18 TYR 23 19 ARG 24 20 SER 25 21 LEU 26 22 LEU 27 23 GLU 28 24 ASP 29 25 ASP 30 26 ASP 31 27 MET 32 28 GLY 33 29 ASP 34 30 LEU 35 31 VAL 36 32 ASP 37 33 ALA 38 34 GLU 39 35 GLU 40 36 TYR 41 37 LEU 42 38 VAL 43 39 PRO 44 40 GLN 45 41 GLN 46 42 GLY 47 43 PHE 48 44 PHE 49 45 CYS 50 46 PRO 51 47 ASP 52 48 PRO 53 49 ALA 54 50 PRO 55 51 GLY 56 52 ALA 57 53 GLY 58 54 GLY 59 55 MET 60 56 VAL 61 57 HIS 62 58 HIS 63 59 ARG 64 60 HIS 65 61 ARG 66 62 SER 67 63 SER 68 64 SER 69 65 THR 70 66 ARG 71 67 SER 72 68 GLY 73 69 GLY 74 70 GLY 75 71 ASP 76 72 LEU 77 73 THR 78 74 LEU 79 75 GLY 80 76 LEU 81 77 GLU 82 78 PRO 83 79 SER 84 80 GLU 85 81 GLU 86 82 GLU 87 83 ALA 88 84 PRO 89 85 ARG 90 86 SER 91 87 PRO 92 88 LEU 93 89 ALA 94 90 PRO 95 91 SER 96 92 GLU 97 93 GLY 98 94 ALA 99 95 GLY 100 96 SER 101 97 ASP 102 98 VAL 103 99 PHE 104 100 ASP 105 101 GLY 106 102 ASP 107 103 LEU 108 104 GLY 109 105 MET 110 106 GLY 111 107 ALA 112 108 ALA 113 109 LYS 114 110 GLY 115 111 LEU 116 112 GLN 117 113 SER 118 114 LEU 119 115 PRO 120 116 THR 121 117 HIS 122 118 ASP 123 119 PRO 124 120 SER 125 121 PRO 126 122 LEU 127 123 GLN 128 124 ARG 129 125 TYR 130 126 SER 131 127 GLU 132 128 ASP 133 129 PRO 134 130 THR 135 131 VAL 136 132 PRO 137 133 LEU 138 134 PRO 139 135 SER 140 136 GLU 141 137 THR 142 138 ASP 143 139 GLY 144 140 TYR 145 141 VAL 146 142 ALA 147 143 PRO 148 144 LEU 149 145 THR 150 146 CYS 151 147 SER 152 148 PRO 153 149 GLN 154 150 PRO 155 151 GLU 156 152 TYR 157 153 VAL 158 154 ASN 159 155 GLN 160 156 PRO 161 157 ASP 162 158 VAL 163 159 ARG 164 160 PRO 165 161 GLN 166 162 PRO 167 163 PRO 168 164 SER 169 165 PRO 170 166 ARG 171 167 GLU 172 168 GLY 173 169 PRO 174 170 LEU 175 171 PRO 176 172 ALA 177 173 ALA 178 174 ARG 179 175 PRO 180 176 ALA 181 177 GLY 182 178 ALA 183 179 THR 184 180 LEU 185 181 GLU 186 182 ARG 187 183 PRO 188 184 LYS 189 185 THR 190 186 LEU 191 187 SER 192 188 PRO 193 189 GLY 194 190 LYS 195 191 ASN 196 192 GLY 197 193 VAL 198 194 VAL 199 195 LYS 200 196 ASP 201 197 VAL 202 198 PHE 203 199 ALA 204 200 PHE 205 201 GLY 206 202 GLY 207 203 ALA 208 204 VAL 209 205 GLU 210 206 ASN 211 207 PRO 212 208 GLU 213 209 TYR 214 210 LEU 215 211 THR 216 212 PRO 217 213 GLN 218 214 GLY 219 215 GLY 220 216 ALA 221 217 ALA 222 218 PRO 223 219 GLN 224 220 PRO 225 221 HIS 226 222 PRO 227 223 PRO 228 224 PRO 229 225 ALA 230 226 PHE 231 227 SER 232 228 PRO 233 229 ALA 234 230 PHE 235 231 ASP 236 232 ASN 237 233 LEU 238 234 TYR 239 235 TYR 240 236 TRP 241 237 ASP 242 238 GLN 243 239 ASP 244 240 PRO 245 241 PRO 246 242 GLU 247 243 ARG 248 244 GLY 249 245 ALA 250 246 PRO 251 247 PRO 252 248 SER 253 249 THR 254 250 PHE 255 251 LYS 256 252 GLY 257 253 THR 258 254 PRO 259 255 THR 260 256 ALA 261 257 GLU 262 258 ASN 263 259 PRO 264 260 GLU 265 261 TYR 266 262 LEU 267 263 GLY 268 264 LEU 269 265 ASP 270 266 VAL 271 267 PRO 272 268 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value UNP P04626 ERBB2_HUMAN . . . . . stop_ 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 $Cterbb2 Human 9606 Eukaryota Metazoa Homo sapiens ERBB2 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 $Cterbb2 'recombinant technology' . Escherichia coli BL21 YP304 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Cterbb2 325 uM 150 500 '[U-100% 13C; U-100% 15N]' TCEP 2 mM . . 'natural abundance' MES 40 mM . . 'natural abundance' 'sodium chloride' 200 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CCPNMR _Saveframe_category software _Name CCPNMR _Version 2.4 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _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_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCACO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HNCANH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCANH' _Sample_label $sample_1 save_ save_3D_HN(CO)CANH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CANH' _Sample_label $sample_1 save_ save_3D_HCAN_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCAN' _Sample_label $sample_1 save_ save_3D_HACA(CO)N_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HACA(CO)N' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.2 . M pH 5.6 . 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 'Bruker referencing' 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 4.7 na indirect . . . 0.251449519 water H 1 protons ppm 4.7 internal direct . . . 1 '[15N] nitric acid' N 15 protons ppm 4.7 na indirect . . . 0.101329112 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_ _Software_label $TOPSPIN $CCPNMR stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HNCACB' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D C(CO)NH' '3D HCACO' '3D HNCANH' '3D HN(CO)CANH' '3D HCAN' '3D HACA(CO)N' 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 CtErbB2 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 -2 2 SER HA H 4.471 0.000 1 2 -2 2 SER HB2 H 3.805 0.000 2 3 -2 2 SER HB3 H 3.805 0.000 2 4 -2 2 SER C C 174.228 0.016 1 5 -2 2 SER CA C 58.379 0.000 1 6 -2 2 SER CB C 64.192 0.000 1 7 -1 3 HIS H H 8.642 0.005 1 8 -1 3 HIS HA H 4.722 0.003 1 9 -1 3 HIS HB2 H 3.253 0.003 2 10 -1 3 HIS HB3 H 3.137 0.003 2 11 -1 3 HIS C C 174.121 0.000 1 12 -1 3 HIS CA C 55.402 0.030 1 13 -1 3 HIS CB C 29.239 0.032 1 14 -1 3 HIS N N 120.619 0.065 1 15 0 4 MET H H 8.408 0.005 1 16 0 4 MET HA H 4.451 0.004 1 17 0 4 MET HB2 H 1.965 0.000 1 18 0 4 MET HB3 H 1.965 0.000 1 19 0 4 MET HG2 H 2.481 0.000 1 20 0 4 MET HG3 H 2.481 0.000 1 21 0 4 MET C C 175.637 0.001 1 22 0 4 MET CA C 55.620 0.032 1 23 0 4 MET CB C 33.136 0.014 1 24 0 4 MET CG C 31.836 0.000 1 25 0 4 MET N N 122.325 0.040 1 26 1 5 VAL H H 8.264 0.004 1 27 1 5 VAL HA H 4.092 0.004 1 28 1 5 VAL HB H 1.986 0.013 1 29 1 5 VAL HG1 H 0.886 0.007 2 30 1 5 VAL HG2 H 0.878 0.000 2 31 1 5 VAL C C 175.760 0.013 1 32 1 5 VAL CA C 62.362 0.065 1 33 1 5 VAL CB C 32.805 0.077 1 34 1 5 VAL CG1 C 20.927 0.099 1 35 1 5 VAL N N 122.917 0.026 1 36 2 6 ILE H H 8.289 0.003 1 37 2 6 ILE HA H 4.148 0.004 1 38 2 6 ILE HB H 1.815 0.004 1 39 2 6 ILE HG12 H 1.450 0.006 2 40 2 6 ILE HG13 H 1.154 0.008 2 41 2 6 ILE HG2 H 0.862 0.006 1 42 2 6 ILE HD1 H 0.826 0.001 1 43 2 6 ILE C C 175.924 0.014 1 44 2 6 ILE CA C 60.822 0.046 1 45 2 6 ILE CB C 38.586 0.044 1 46 2 6 ILE CG1 C 27.325 0.050 1 47 2 6 ILE CG2 C 17.496 0.048 1 48 2 6 ILE CD1 C 12.676 0.037 1 49 2 6 ILE N N 125.800 0.033 1 50 3 7 GLN H H 8.517 0.004 1 51 3 7 GLN HA H 4.345 0.005 1 52 3 7 GLN HB2 H 2.063 0.000 2 53 3 7 GLN HB3 H 1.945 0.000 2 54 3 7 GLN HG2 H 2.320 0.009 2 55 3 7 GLN HG3 H 2.312 0.000 2 56 3 7 GLN C C 175.398 0.009 1 57 3 7 GLN CA C 55.727 0.045 1 58 3 7 GLN CB C 29.605 0.019 1 59 3 7 GLN CG C 33.751 0.005 1 60 3 7 GLN N N 125.143 0.032 1 61 4 8 ASN H H 8.503 0.003 1 62 4 8 ASN HA H 4.639 0.005 1 63 4 8 ASN HB2 H 2.743 0.000 2 64 4 8 ASN HB3 H 2.804 0.000 2 65 4 8 ASN C C 175.232 0.009 1 66 4 8 ASN CA C 53.583 0.028 1 67 4 8 ASN CB C 38.985 0.012 1 68 4 8 ASN N N 120.450 0.038 1 69 5 9 GLU H H 8.503 0.005 1 70 5 9 GLU HA H 4.251 0.005 1 71 5 9 GLU HB2 H 2.031 0.000 2 72 5 9 GLU HB3 H 1.902 0.000 2 73 5 9 GLU HG2 H 2.242 0.000 2 74 5 9 GLU HG3 H 2.242 0.000 2 75 5 9 GLU C C 176.055 0.075 1 76 5 9 GLU CA C 56.838 0.040 1 77 5 9 GLU CB C 30.206 0.010 1 78 5 9 GLU CG C 35.944 0.000 1 79 5 9 GLU N N 121.328 0.035 1 80 6 10 ASP H H 8.368 0.004 1 81 6 10 ASP HA H 4.588 0.004 1 82 6 10 ASP HB2 H 2.726 0.002 2 83 6 10 ASP HB3 H 2.593 0.005 2 84 6 10 ASP CA C 54.458 0.043 1 85 6 10 ASP CB C 40.998 0.050 1 86 6 10 ASP N N 121.114 0.037 1 87 7 11 LEU H H 8.149 0.004 1 88 7 11 LEU HA H 4.345 0.005 1 89 7 11 LEU HB2 H 1.611 0.000 2 90 7 11 LEU HB3 H 1.646 0.000 2 91 7 11 LEU HG H 1.597 0.002 1 92 7 11 LEU HD1 H 0.894 0.013 2 93 7 11 LEU HD2 H 0.834 0.013 2 94 7 11 LEU C C 177.701 0.006 1 95 7 11 LEU CA C 55.144 0.067 1 96 7 11 LEU CB C 42.352 0.027 1 97 7 11 LEU CG C 26.862 0.023 1 98 7 11 LEU CD1 C 25.048 0.011 2 99 7 11 LEU CD2 C 23.315 0.260 2 100 7 11 LEU N N 122.639 0.037 1 101 8 12 GLY H H 8.199 0.004 1 102 8 12 GLY HA2 H 4.050 0.001 1 103 8 12 GLY C C 171.824 0.013 1 104 8 12 GLY CA C 44.667 0.020 1 105 8 12 GLY N N 109.411 0.042 1 106 9 13 PRO HA H 4.396 0.003 1 107 9 13 PRO HB2 H 2.239 0.005 2 108 9 13 PRO HB3 H 1.922 0.000 2 109 9 13 PRO HG2 H 1.951 0.005 2 110 9 13 PRO HG3 H 1.943 0.000 2 111 9 13 PRO HD2 H 3.571 0.004 2 112 9 13 PRO HD3 H 3.609 0.000 2 113 9 13 PRO C C 176.851 0.004 1 114 9 13 PRO CA C 63.120 0.037 1 115 9 13 PRO CB C 32.099 0.054 1 116 9 13 PRO CG C 27.091 0.053 1 117 9 13 PRO CD C 49.836 0.040 1 118 9 13 PRO N N 134.290 0.023 1 119 10 14 ALA H H 8.377 0.004 1 120 10 14 ALA HA H 4.322 0.006 1 121 10 14 ALA HB H 1.359 0.004 1 122 10 14 ALA C C 177.510 0.009 1 123 10 14 ALA CA C 52.353 0.059 1 124 10 14 ALA CB C 19.268 0.027 1 125 10 14 ALA N N 124.135 0.038 1 126 11 15 SER H H 8.236 0.004 1 127 11 15 SER HA H 4.733 0.000 1 128 11 15 SER HB2 H 3.844 0.000 1 129 11 15 SER C C 173.143 0.000 1 130 11 15 SER CA C 56.219 0.027 1 131 11 15 SER CB C 63.574 0.041 1 132 11 15 SER N N 116.330 0.040 1 133 12 16 PRO HA H 4.387 0.003 1 134 12 16 PRO HB2 H 2.255 0.004 2 135 12 16 PRO HB3 H 1.894 0.000 2 136 12 16 PRO HG2 H 1.954 0.000 2 137 12 16 PRO HG3 H 1.954 0.000 2 138 12 16 PRO HD2 H 3.715 0.001 1 139 12 16 PRO C C 176.987 0.019 1 140 12 16 PRO CA C 63.537 0.055 1 141 12 16 PRO CB C 32.094 0.029 1 142 12 16 PRO CG C 27.246 0.008 1 143 12 16 PRO CD C 50.695 0.052 1 144 12 16 PRO N N 137.767 0.021 5 145 13 17 LEU H H 8.159 0.004 1 146 13 17 LEU HA H 4.241 0.007 1 147 13 17 LEU HB2 H 1.586 0.000 2 148 13 17 LEU HB3 H 1.530 0.000 2 149 13 17 LEU HG H 1.578 0.023 1 150 13 17 LEU HD1 H 0.837 0.011 2 151 13 17 LEU HD2 H 0.790 0.000 2 152 13 17 LEU C C 177.216 0.002 1 153 13 17 LEU CA C 55.407 0.031 1 154 13 17 LEU CB C 42.108 0.086 1 155 13 17 LEU CG C 26.978 0.019 1 156 13 17 LEU CD1 C 23.443 0.052 2 157 13 17 LEU CD2 C 24.943 0.000 2 158 13 17 LEU N N 120.963 0.039 1 159 14 18 ASP H H 8.108 0.004 1 160 14 18 ASP HA H 4.623 0.001 1 161 14 18 ASP HB2 H 2.728 0.000 1 162 14 18 ASP HB3 H 2.728 0.000 1 163 14 18 ASP C C 176.548 0.008 1 164 14 18 ASP CA C 54.346 0.026 1 165 14 18 ASP CB C 41.358 0.022 1 166 14 18 ASP N N 120.508 0.039 1 167 15 19 SER H H 8.266 0.004 1 168 15 19 SER HA H 4.405 0.000 1 169 15 19 SER HB2 H 3.949 0.000 2 170 15 19 SER HB3 H 3.857 0.000 2 171 15 19 SER C C 175.239 0.015 1 172 15 19 SER CA C 59.190 0.032 1 173 15 19 SER CB C 63.733 0.080 1 174 15 19 SER N N 116.530 0.036 1 175 16 20 THR H H 8.229 0.004 1 176 16 20 THR HA H 4.157 0.002 1 177 16 20 THR HB H 4.097 0.022 1 178 16 20 THR HG2 H 1.092 0.006 1 179 16 20 THR C C 174.805 0.021 1 180 16 20 THR CA C 63.384 0.046 1 181 16 20 THR CB C 69.332 0.043 1 182 16 20 THR CG2 C 21.607 0.042 1 183 16 20 THR N N 115.990 0.046 1 184 17 21 PHE H H 8.029 0.004 1 185 17 21 PHE HA H 4.448 0.003 1 186 17 21 PHE HB2 H 2.976 0.000 1 187 17 21 PHE HB3 H 2.976 0.000 1 188 17 21 PHE C C 175.693 0.001 1 189 17 21 PHE CA C 58.685 0.037 1 190 17 21 PHE CB C 39.507 0.035 1 191 17 21 PHE N N 122.091 0.031 1 192 18 22 TYR H H 7.923 0.004 1 193 18 22 TYR HA H 4.386 0.005 1 194 18 22 TYR HB2 H 2.992 0.000 2 195 18 22 TYR HB3 H 2.889 0.000 2 196 18 22 TYR C C 175.699 0.002 1 197 18 22 TYR CA C 58.607 0.045 1 198 18 22 TYR CB C 38.720 0.037 1 199 18 22 TYR N N 120.715 0.037 1 200 19 23 ARG H H 7.986 0.005 1 201 19 23 ARG HA H 4.194 0.007 1 202 19 23 ARG HB2 H 1.716 0.003 2 203 19 23 ARG HB3 H 1.790 0.000 2 204 19 23 ARG HG2 H 1.563 0.000 1 205 19 23 ARG HG3 H 1.563 0.000 1 206 19 23 ARG HD2 H 3.164 0.020 1 207 19 23 ARG C C 176.211 0.033 1 208 19 23 ARG CA C 56.520 0.059 1 209 19 23 ARG CB C 30.861 0.023 1 210 19 23 ARG CG C 27.155 0.053 1 211 19 23 ARG CD C 43.391 0.022 1 212 19 23 ARG N N 121.934 0.042 1 213 20 24 SER H H 8.207 0.006 1 214 20 24 SER HA H 4.356 0.000 1 215 20 24 SER HB2 H 3.857 0.000 1 216 20 24 SER HB3 H 3.857 0.000 1 217 20 24 SER C C 174.713 0.015 1 218 20 24 SER CA C 58.795 0.052 1 219 20 24 SER CB C 63.696 0.078 1 220 20 24 SER N N 116.560 0.058 1 221 21 25 LEU H H 8.097 0.004 1 222 21 25 LEU HA H 4.274 0.015 1 223 21 25 LEU HB2 H 1.623 0.000 2 224 21 25 LEU HB3 H 1.570 0.000 2 225 21 25 LEU HG H 1.571 0.000 1 226 21 25 LEU HD1 H 0.815 0.000 2 227 21 25 LEU HD2 H 0.831 0.000 2 228 21 25 LEU C C 177.365 0.009 1 229 21 25 LEU CA C 55.602 0.019 1 230 21 25 LEU CB C 42.254 0.019 1 231 21 25 LEU CG C 26.920 0.000 1 232 21 25 LEU CD1 C 25.000 0.000 2 233 21 25 LEU CD2 C 23.372 0.000 2 234 21 25 LEU N N 123.708 0.045 1 235 22 26 LEU H H 8.001 0.004 1 236 22 26 LEU HA H 4.318 0.001 1 237 22 26 LEU HB2 H 1.620 0.000 2 238 22 26 LEU HB3 H 1.581 0.000 2 239 22 26 LEU HG H 1.581 0.000 1 240 22 26 LEU HD1 H 0.865 0.000 2 241 22 26 LEU HD2 H 0.836 0.000 2 242 22 26 LEU C C 177.372 0.002 1 243 22 26 LEU CA C 55.241 0.035 1 244 22 26 LEU CB C 42.327 0.030 1 245 22 26 LEU CG C 27.006 0.000 1 246 22 26 LEU CD1 C 24.952 0.000 2 247 22 26 LEU CD2 C 23.344 0.000 2 248 22 26 LEU N N 121.241 0.043 1 249 23 27 GLU H H 8.195 0.007 1 250 23 27 GLU HA H 4.265 0.004 1 251 23 27 GLU HB2 H 2.045 0.000 2 252 23 27 GLU HB3 H 1.920 0.000 2 253 23 27 GLU HG2 H 2.257 0.000 1 254 23 27 GLU HG3 H 2.257 0.000 1 255 23 27 GLU C C 176.119 0.008 1 256 23 27 GLU CA C 56.521 0.028 1 257 23 27 GLU CB C 30.206 0.015 1 258 23 27 GLU CG C 35.841 0.000 1 259 23 27 GLU N N 120.557 0.064 1 260 24 28 ASP H H 8.236 0.004 1 261 24 28 ASP HA H 4.591 0.000 1 262 24 28 ASP HB2 H 2.708 0.000 2 263 24 28 ASP HB3 H 2.609 0.000 2 264 24 28 ASP C C 175.951 0.004 1 265 24 28 ASP CA C 54.450 0.026 1 266 24 28 ASP CB C 41.179 0.020 1 267 24 28 ASP N N 120.797 0.049 1 268 25 29 ASP H H 8.259 0.004 1 269 25 29 ASP HA H 4.578 0.003 1 270 25 29 ASP HB2 H 2.716 0.000 2 271 25 29 ASP HB3 H 2.656 0.000 2 272 25 29 ASP C C 175.970 0.002 1 273 25 29 ASP CA C 54.317 0.035 1 274 25 29 ASP CB C 41.098 0.000 1 275 25 29 ASP N N 120.561 0.048 1 276 26 30 ASP H H 8.311 0.004 1 277 26 30 ASP HA H 4.589 0.002 1 278 26 30 ASP HB2 H 2.656 0.000 2 279 26 30 ASP HB3 H 2.743 0.000 2 280 26 30 ASP C C 176.491 0.004 1 281 26 30 ASP CA C 54.482 0.052 1 282 26 30 ASP CB C 41.090 0.034 1 283 26 30 ASP N N 120.478 0.037 1 284 27 31 MET H H 8.318 0.003 1 285 27 31 MET HA H 4.440 0.002 1 286 27 31 MET HB2 H 2.115 0.000 2 287 27 31 MET HB3 H 2.021 0.000 2 288 27 31 MET HG2 H 2.609 0.000 2 289 27 31 MET HG3 H 2.490 0.000 2 290 27 31 MET C C 177.091 0.002 1 291 27 31 MET CA C 55.771 0.039 1 292 27 31 MET CB C 32.520 0.050 1 293 27 31 MET CG C 31.946 0.000 1 294 27 31 MET N N 120.429 0.042 1 295 28 32 GLY H H 8.373 0.003 1 296 28 32 GLY HA2 H 3.902 0.004 2 297 28 32 GLY HA3 H 3.897 0.000 2 298 28 32 GLY C C 173.958 0.015 1 299 28 32 GLY CA C 45.619 0.060 1 300 28 32 GLY N N 109.101 0.038 1 301 29 33 ASP H H 8.251 0.005 1 302 29 33 ASP HA H 4.608 0.002 1 303 29 33 ASP HB2 H 2.679 0.000 2 304 29 33 ASP HB3 H 2.595 0.000 2 305 29 33 ASP C C 176.169 0.006 1 306 29 33 ASP CA C 54.331 0.013 1 307 29 33 ASP CB C 41.064 0.034 1 308 29 33 ASP N N 120.076 0.042 1 309 30 34 LEU H H 8.125 0.004 1 310 30 34 LEU HA H 4.336 0.007 1 311 30 34 LEU HB2 H 1.554 0.000 2 312 30 34 LEU HB3 H 1.639 0.000 2 313 30 34 LEU HG H 1.590 0.000 1 314 30 34 LEU HD1 H 0.871 0.000 2 315 30 34 LEU HD2 H 0.834 0.000 2 316 30 34 LEU C C 177.332 0.004 1 317 30 34 LEU CA C 55.367 0.028 1 318 30 34 LEU CB C 42.251 0.013 1 319 30 34 LEU CG C 26.940 0.000 1 320 30 34 LEU CD1 C 24.991 0.000 2 321 30 34 LEU CD2 C 23.591 0.000 2 322 30 34 LEU N N 121.998 0.040 1 323 31 35 VAL H H 8.004 0.004 1 324 31 35 VAL HA H 4.053 0.005 1 325 31 35 VAL HB H 2.025 0.000 1 326 31 35 VAL HG1 H 0.883 0.009 2 327 31 35 VAL HG2 H 0.874 0.000 2 328 31 35 VAL C C 175.802 0.013 1 329 31 35 VAL CA C 62.392 0.078 1 330 31 35 VAL CB C 32.894 0.005 1 331 31 35 VAL CG1 C 20.902 0.088 2 332 31 35 VAL CG2 C 21.577 0.000 2 333 31 35 VAL N N 120.426 0.060 1 334 32 36 ASP H H 8.351 0.004 1 335 32 36 ASP HA H 4.590 0.010 1 336 32 36 ASP HB2 H 2.734 0.000 2 337 32 36 ASP HB3 H 2.603 0.000 2 338 32 36 ASP C C 175.877 0.010 1 339 32 36 ASP CA C 54.281 0.040 1 340 32 36 ASP CB C 41.091 0.042 1 341 32 36 ASP N N 123.592 0.063 1 342 33 37 ALA H H 8.176 0.004 1 343 33 37 ALA HA H 4.236 0.005 1 344 33 37 ALA HB H 1.371 0.000 1 345 33 37 ALA C C 177.914 0.016 1 346 33 37 ALA CA C 52.945 0.021 1 347 33 37 ALA CB C 19.406 0.029 1 348 33 37 ALA N N 124.395 0.041 1 349 34 38 GLU H H 8.357 0.006 1 350 34 38 GLU HA H 4.167 0.005 1 351 34 38 GLU HB2 H 1.987 0.000 2 352 34 38 GLU HB3 H 1.917 0.000 2 353 34 38 GLU HG2 H 2.251 0.000 1 354 34 38 GLU HG3 H 2.252 0.000 1 355 34 38 GLU C C 176.622 0.009 1 356 34 38 GLU CA C 56.979 0.028 1 357 34 38 GLU CB C 29.913 0.043 1 358 34 38 GLU CG C 35.895 0.000 1 359 34 38 GLU N N 119.076 0.059 1 360 35 39 GLU H H 8.217 0.007 1 361 35 39 GLU HA H 4.173 0.000 1 362 35 39 GLU HB2 H 1.895 0.000 2 363 35 39 GLU HB3 H 1.873 0.000 2 364 35 39 GLU HG2 H 2.171 0.000 2 365 35 39 GLU HG3 H 2.119 0.000 2 366 35 39 GLU C C 176.013 0.007 1 367 35 39 GLU CA C 56.789 0.033 1 368 35 39 GLU CB C 30.132 0.042 1 369 35 39 GLU CG C 35.688 0.000 1 370 35 39 GLU N N 120.477 0.054 1 371 36 40 TYR H H 8.022 0.006 1 372 36 40 TYR HA H 4.546 0.004 1 373 36 40 TYR HB2 H 3.017 0.000 2 374 36 40 TYR HB3 H 2.888 0.000 2 375 36 40 TYR C C 175.260 0.007 1 376 36 40 TYR CA C 57.772 0.031 1 377 36 40 TYR CB C 38.721 0.027 1 378 36 40 TYR N N 120.159 0.056 1 379 37 41 LEU H H 7.960 0.005 1 380 37 41 LEU HA H 4.310 0.006 1 381 37 41 LEU HB2 H 1.459 0.000 2 382 37 41 LEU HB3 H 1.552 0.000 2 383 37 41 LEU HG H 1.458 0.000 1 384 37 41 LEU HD1 H 0.802 0.000 1 385 37 41 LEU HD2 H 0.802 0.000 1 386 37 41 LEU C C 176.563 0.004 1 387 37 41 LEU CA C 54.884 0.010 1 388 37 41 LEU CB C 42.547 0.007 1 389 37 41 LEU CG C 26.765 0.000 1 390 37 41 LEU CD1 C 24.835 0.000 2 391 37 41 LEU CD2 C 23.434 0.000 2 392 37 41 LEU N N 123.729 0.053 1 393 38 42 VAL H H 7.960 0.008 1 394 38 42 VAL HA H 4.299 0.001 1 395 38 42 VAL HB H 2.026 0.000 1 396 38 42 VAL C C 174.406 0.004 1 397 38 42 VAL CA C 59.970 0.042 1 398 38 42 VAL CB C 32.441 0.070 1 399 38 42 VAL CG1 C 20.788 0.000 1 400 38 42 VAL N N 122.173 0.052 1 401 39 43 PRO HA H 4.343 0.003 1 402 39 43 PRO HB2 H 2.225 0.000 2 403 39 43 PRO HB3 H 1.848 0.000 2 404 39 43 PRO HG2 H 1.957 0.000 2 405 39 43 PRO HG3 H 1.989 0.016 2 406 39 43 PRO HD2 H 3.833 0.000 1 407 39 43 PRO C C 176.936 0.009 1 408 39 43 PRO CA C 63.293 0.036 1 409 39 43 PRO CB C 32.138 0.007 1 410 39 43 PRO CG C 27.354 0.016 1 411 39 43 PRO CD C 50.654 0.029 1 412 39 43 PRO N N 139.135 0.023 1 413 40 44 GLN H H 8.421 0.003 1 414 40 44 GLN HA H 4.236 0.004 1 415 40 44 GLN HB2 H 1.938 0.000 2 416 40 44 GLN HB3 H 2.062 0.000 2 417 40 44 GLN HG2 H 2.329 0.000 1 418 40 44 GLN HG3 H 2.329 0.000 1 419 40 44 GLN C C 176.022 0.017 1 420 40 44 GLN CA C 56.024 0.020 1 421 40 44 GLN CB C 29.468 0.022 1 422 40 44 GLN CG C 33.895 0.000 1 423 40 44 GLN N N 120.414 0.075 1 424 41 45 GLN H H 8.389 0.004 1 425 41 45 GLN HA H 4.290 0.006 1 426 41 45 GLN HB2 H 2.059 0.000 2 427 41 45 GLN HB3 H 1.953 0.000 2 428 41 45 GLN HG2 H 2.315 0.000 1 429 41 45 GLN HG3 H 2.316 0.000 1 430 41 45 GLN C C 176.232 0.004 1 431 41 45 GLN CA C 56.210 0.020 1 432 41 45 GLN CB C 29.433 0.017 1 433 41 45 GLN CG C 33.813 0.000 1 434 41 45 GLN N N 120.824 0.036 1 435 42 46 GLY H H 8.349 0.003 1 436 42 46 GLY HA2 H 3.899 0.006 2 437 42 46 GLY HA3 H 3.791 0.003 2 438 42 46 GLY C C 173.476 0.005 1 439 42 46 GLY CA C 45.259 0.068 1 440 42 46 GLY N N 109.775 0.031 1 441 43 47 PHE H H 7.974 0.004 1 442 43 47 PHE HA H 4.549 0.000 1 443 43 47 PHE HB2 H 2.970 0.000 2 444 43 47 PHE HB3 H 2.923 0.000 2 445 43 47 PHE C C 175.091 0.007 1 446 43 47 PHE CA C 57.688 0.021 1 447 43 47 PHE CB C 39.848 0.045 1 448 43 47 PHE N N 119.665 0.035 1 449 44 48 PHE H H 8.217 0.003 1 450 44 48 PHE HA H 4.553 0.000 1 451 44 48 PHE HB2 H 2.972 0.000 1 452 44 48 PHE HB3 H 2.972 0.000 1 453 44 48 PHE C C 174.508 0.013 1 454 44 48 PHE CA C 57.562 0.016 1 455 44 48 PHE CB C 39.898 0.048 1 456 44 48 PHE N N 122.036 0.037 1 457 45 49 CYS H H 8.190 0.004 1 458 45 49 CYS HA H 4.643 0.002 1 459 45 49 CYS HB2 H 2.801 0.002 2 460 45 49 CYS HB3 H 2.741 0.002 2 461 45 49 CYS C C 172.127 0.010 1 462 45 49 CYS CA C 55.924 0.020 1 463 45 49 CYS CB C 27.848 0.000 1 464 45 49 CYS N N 123.825 0.051 1 465 46 50 PRO HA H 4.330 0.005 1 466 46 50 PRO HB2 H 2.223 0.000 2 467 46 50 PRO HB3 H 1.910 0.000 2 468 46 50 PRO HD2 H 3.796 0.001 2 469 46 50 PRO HD3 H 3.492 0.000 2 470 46 50 PRO C C 176.031 0.006 1 471 46 50 PRO CA C 63.140 0.060 1 472 46 50 PRO CB C 32.144 0.030 1 473 46 50 PRO CG C 27.050 0.020 1 474 46 50 PRO CD C 50.692 0.041 1 475 46 50 PRO N N 137.547 0.033 1 476 47 51 ASP H H 8.189 0.004 1 477 47 51 ASP HA H 4.813 0.011 1 478 47 51 ASP HB2 H 2.463 0.001 2 479 47 51 ASP HB3 H 2.689 0.005 2 480 47 51 ASP C C 174.130 0.000 1 481 47 51 ASP CA C 52.423 0.011 1 482 47 51 ASP CB C 40.874 0.000 1 483 47 51 ASP N N 121.540 0.048 1 484 48 52 PRO HA H 4.374 0.005 1 485 48 52 PRO HB2 H 2.186 0.000 2 486 48 52 PRO HB3 H 1.910 0.000 2 487 48 52 PRO HD2 H 3.831 0.000 2 488 48 52 PRO HD3 H 3.713 0.000 2 489 48 52 PRO C C 176.307 0.011 1 490 48 52 PRO CA C 63.026 0.031 1 491 48 52 PRO CB C 32.172 0.077 1 492 48 52 PRO CG C 27.148 0.000 1 493 48 52 PRO CD C 50.684 0.013 1 494 48 52 PRO N N 136.120 0.010 1 495 49 53 ALA H H 8.351 0.003 1 496 49 53 ALA HA H 4.537 0.000 1 497 49 53 ALA HB H 1.319 0.000 1 498 49 53 ALA C C 175.444 0.006 1 499 49 53 ALA CA C 50.561 0.015 1 500 49 53 ALA CB C 18.107 0.000 1 501 49 53 ALA N N 125.391 0.049 1 502 50 54 PRO HA H 4.373 0.006 1 503 50 54 PRO HB2 H 2.245 0.000 2 504 50 54 PRO HB3 H 1.897 0.000 2 505 50 54 PRO HG2 H 2.000 0.000 1 506 50 54 PRO HG3 H 2.000 0.000 1 507 50 54 PRO C C 177.851 0.011 1 508 50 54 PRO CA C 63.631 0.072 1 509 50 54 PRO CB C 31.891 0.010 1 510 50 54 PRO CG C 27.439 0.000 1 511 50 54 PRO CD C 50.418 0.000 1 512 50 54 PRO N N 135.861 0.052 5 513 51 55 GLY H H 8.475 0.004 1 514 51 55 GLY HA2 H 3.940 0.009 2 515 51 55 GLY HA3 H 3.929 0.000 2 516 51 55 GLY C C 174.258 0.008 1 517 51 55 GLY CA C 45.253 0.065 1 518 51 55 GLY N N 109.606 0.042 1 519 52 56 ALA H H 8.149 0.004 1 520 52 56 ALA HA H 4.326 0.005 1 521 52 56 ALA HB H 1.390 0.000 1 522 52 56 ALA C C 178.454 0.009 1 523 52 56 ALA CA C 52.793 0.057 1 524 52 56 ALA CB C 19.301 0.013 1 525 52 56 ALA N N 123.782 0.039 1 526 53 57 GLY H H 8.465 0.004 1 527 53 57 GLY HA2 H 3.937 0.000 1 528 53 57 GLY HA3 H 3.936 0.000 1 529 53 57 GLY C C 174.812 0.011 1 530 53 57 GLY CA C 45.522 0.026 1 531 53 57 GLY N N 108.126 0.044 1 532 54 58 GLY H H 8.212 0.004 1 533 54 58 GLY HA2 H 3.929 0.000 1 534 54 58 GLY HA3 H 3.929 0.000 1 535 54 58 GLY C C 174.078 0.010 1 536 54 58 GLY CA C 45.312 0.058 1 537 54 58 GLY N N 108.379 0.043 1 538 55 59 MET H H 8.160 0.004 1 539 55 59 MET HA H 4.428 0.009 1 540 55 59 MET HB2 H 1.953 0.000 1 541 55 59 MET HB3 H 1.953 0.000 1 542 55 59 MET HG2 H 2.468 0.000 2 543 55 59 MET HG3 H 2.451 0.000 2 544 55 59 MET C C 176.017 0.014 1 545 55 59 MET CA C 55.540 0.025 1 546 55 59 MET CB C 33.018 0.051 1 547 55 59 MET CG C 31.992 0.000 1 548 55 59 MET N N 119.688 0.040 1 549 56 60 VAL H H 8.059 0.004 1 550 56 60 VAL HA H 3.997 0.004 1 551 56 60 VAL HB H 1.910 0.006 1 552 56 60 VAL HG1 H 0.816 0.000 2 553 56 60 VAL HG2 H 0.720 0.000 2 554 56 60 VAL C C 175.686 0.001 1 555 56 60 VAL CA C 62.354 0.049 1 556 56 60 VAL CB C 32.746 0.070 1 557 56 60 VAL CG1 C 20.881 0.000 1 558 56 60 VAL N N 121.022 0.047 1 559 57 61 HIS H H 8.522 0.006 1 560 57 61 HIS HA H 4.669 0.004 1 561 57 61 HIS HB2 H 3.142 0.000 2 562 57 61 HIS HB3 H 3.039 0.000 2 563 57 61 HIS C C 174.198 0.006 1 564 57 61 HIS CA C 55.177 0.040 1 565 57 61 HIS CB C 29.433 0.024 1 566 57 61 HIS N N 122.192 0.057 1 567 58 62 HIS H H 8.548 0.009 1 568 58 62 HIS HA H 4.693 0.006 1 569 58 62 HIS HB2 H 3.182 0.000 2 570 58 62 HIS HB3 H 3.067 0.000 2 571 58 62 HIS C C 174.253 0.018 1 572 58 62 HIS CA C 55.429 0.032 1 573 58 62 HIS CB C 29.660 0.027 1 574 58 62 HIS N N 120.286 0.060 1 575 59 63 ARG H H 8.526 0.004 1 576 59 63 ARG HA H 4.294 0.001 1 577 59 63 ARG HB2 H 1.713 0.000 2 578 59 63 ARG HB3 H 1.765 0.000 2 579 59 63 ARG HG2 H 1.550 0.000 2 580 59 63 ARG HG3 H 1.550 0.000 2 581 59 63 ARG HD2 H 3.133 0.002 2 582 59 63 ARG HD3 H 3.157 0.019 2 583 59 63 ARG C C 175.915 0.007 1 584 59 63 ARG CA C 56.222 0.052 1 585 59 63 ARG CB C 31.079 0.008 1 586 59 63 ARG CG C 27.201 0.000 1 587 59 63 ARG CD C 43.406 0.000 1 588 59 63 ARG N N 122.350 0.049 1 589 60 64 HIS H H 8.696 0.007 1 590 60 64 HIS HA H 4.699 0.004 1 591 60 64 HIS HB2 H 3.206 0.000 2 592 60 64 HIS HB3 H 3.151 0.000 2 593 60 64 HIS C C 174.432 0.008 1 594 60 64 HIS CA C 55.510 0.027 1 595 60 64 HIS CB C 29.594 0.032 1 596 60 64 HIS N N 120.526 0.043 1 597 61 65 ARG H H 8.521 0.006 1 598 61 65 ARG HA H 4.362 0.005 1 599 61 65 ARG HB2 H 1.818 0.000 2 600 61 65 ARG HB3 H 1.723 0.000 2 601 61 65 ARG HG2 H 1.589 0.000 1 602 61 65 ARG HG3 H 1.589 0.000 1 603 61 65 ARG HD2 H 3.144 0.000 1 604 61 65 ARG HD3 H 3.145 0.000 1 605 61 65 ARG C C 176.110 0.008 1 606 61 65 ARG CA C 56.192 0.012 1 607 61 65 ARG CB C 31.153 0.032 1 608 61 65 ARG CG C 27.123 0.000 1 609 61 65 ARG CD C 43.447 0.000 1 610 61 65 ARG N N 123.438 0.047 1 611 62 66 SER H H 8.543 0.003 1 612 62 66 SER HA H 4.501 0.004 1 613 62 66 SER HB2 H 3.886 0.027 2 614 62 66 SER HB3 H 3.912 0.009 2 615 62 66 SER C C 174.590 0.011 1 616 62 66 SER CA C 58.367 0.016 1 617 62 66 SER CB C 64.085 0.062 1 618 62 66 SER N N 117.864 0.045 1 619 63 67 SER H H 8.471 0.003 1 620 63 67 SER HA H 4.513 0.011 1 621 63 67 SER HB2 H 3.916 0.007 2 622 63 67 SER HB3 H 3.857 0.002 2 623 63 67 SER C C 174.648 0.015 1 624 63 67 SER CA C 58.453 0.062 1 625 63 67 SER CB C 63.959 0.087 1 626 63 67 SER N N 117.908 0.054 1 627 64 68 SER H H 8.407 0.003 1 628 64 68 SER HA H 4.536 0.001 1 629 64 68 SER HB2 H 3.872 0.015 2 630 64 68 SER HB3 H 3.909 0.000 2 631 64 68 SER C C 174.798 0.013 1 632 64 68 SER CA C 58.551 0.076 1 633 64 68 SER CB C 63.922 0.073 1 634 64 68 SER N N 117.653 0.057 1 635 65 69 THR H H 8.172 0.004 1 636 65 69 THR HA H 4.359 0.002 1 637 65 69 THR HB H 4.233 0.008 1 638 65 69 THR HG2 H 1.185 0.002 1 639 65 69 THR C C 174.606 0.012 1 640 65 69 THR CA C 62.085 0.087 1 641 65 69 THR CB C 69.742 0.046 1 642 65 69 THR CG2 C 21.705 0.069 1 643 65 69 THR N N 115.824 0.051 1 644 66 70 ARG H H 8.345 0.003 1 645 66 70 ARG HA H 4.384 0.003 1 646 66 70 ARG HB2 H 1.863 0.000 2 647 66 70 ARG HB3 H 1.749 0.000 2 648 66 70 ARG HG2 H 1.608 0.000 2 649 66 70 ARG HG3 H 1.609 0.000 2 650 66 70 ARG HD2 H 3.164 0.000 1 651 66 70 ARG HD3 H 3.163 0.000 1 652 66 70 ARG C C 176.352 0.013 1 653 66 70 ARG CA C 56.237 0.025 1 654 66 70 ARG CB C 30.801 0.020 1 655 66 70 ARG CG C 27.066 0.000 1 656 66 70 ARG CD C 43.440 0.000 1 657 66 70 ARG N N 123.346 0.058 1 658 67 71 SER H H 8.395 0.004 1 659 67 71 SER HA H 4.461 0.000 1 660 67 71 SER HB2 H 3.855 0.000 2 661 67 71 SER HB3 H 3.885 0.000 2 662 67 71 SER C C 175.083 0.014 1 663 67 71 SER CA C 58.504 0.039 1 664 67 71 SER CB C 63.926 0.079 1 665 67 71 SER N N 117.213 0.039 1 666 68 72 GLY H H 8.470 0.004 1 667 68 72 GLY HA2 H 3.979 0.001 2 668 68 72 GLY HA3 H 3.980 0.000 2 669 68 72 GLY C C 174.680 0.003 1 670 68 72 GLY CA C 45.455 0.061 1 671 68 72 GLY N N 111.153 0.045 1 672 69 73 GLY H H 8.307 0.004 1 673 69 73 GLY HA2 H 3.943 0.000 1 674 69 73 GLY C C 174.687 0.003 1 675 69 73 GLY CA C 45.282 0.003 1 676 69 73 GLY N N 108.783 0.057 1 677 70 74 GLY H H 8.301 0.002 1 678 70 74 GLY HA2 H 3.938 0.005 2 679 70 74 GLY HA3 H 3.943 0.000 2 680 70 74 GLY C C 173.816 0.011 1 681 70 74 GLY CA C 45.265 0.057 1 682 70 74 GLY N N 108.741 0.024 1 683 71 75 ASP H H 8.283 0.004 1 684 71 75 ASP HA H 4.597 0.000 1 685 71 75 ASP HB2 H 2.710 0.000 2 686 71 75 ASP HB3 H 2.583 0.000 2 687 71 75 ASP C C 176.507 0.005 1 688 71 75 ASP CA C 54.364 0.015 1 689 71 75 ASP CB C 41.138 0.008 1 690 71 75 ASP N N 120.234 0.033 1 691 72 76 LEU H H 8.317 0.004 1 692 72 76 LEU HA H 4.354 0.003 1 693 72 76 LEU HB2 H 1.606 0.000 2 694 72 76 LEU HB3 H 1.670 0.000 2 695 72 76 LEU HG H 1.625 0.000 1 696 72 76 LEU HD1 H 0.857 0.000 2 697 72 76 LEU HD2 H 0.892 0.000 2 698 72 76 LEU C C 177.801 0.004 1 699 72 76 LEU CA C 55.617 0.042 1 700 72 76 LEU CB C 42.176 0.020 1 701 72 76 LEU CG C 26.943 0.000 1 702 72 76 LEU CD1 C 25.027 0.000 2 703 72 76 LEU CD2 C 23.447 0.000 2 704 72 76 LEU N N 122.872 0.038 1 705 73 77 THR H H 8.234 0.004 1 706 73 77 THR HA H 4.275 0.000 1 707 73 77 THR HB H 4.205 0.005 1 708 73 77 THR HG2 H 1.179 0.000 1 709 73 77 THR C C 174.694 0.007 1 710 73 77 THR CA C 62.357 0.024 1 711 73 77 THR CB C 69.622 0.015 1 712 73 77 THR CG2 C 21.787 0.000 1 713 73 77 THR N N 114.600 0.041 1 714 74 78 LEU H H 8.083 0.004 1 715 74 78 LEU HA H 4.317 0.009 1 716 74 78 LEU HB2 H 1.579 0.000 2 717 74 78 LEU HB3 H 1.649 0.000 2 718 74 78 LEU HG H 1.583 0.000 1 719 74 78 LEU HD1 H 0.857 0.000 2 720 74 78 LEU HD2 H 0.888 0.000 2 721 74 78 LEU C C 177.701 0.008 1 722 74 78 LEU CA C 55.474 0.038 1 723 74 78 LEU CB C 42.334 0.025 1 724 74 78 LEU CG C 26.926 0.000 1 725 74 78 LEU CD1 C 24.879 0.000 2 726 74 78 LEU CD2 C 23.392 0.000 2 727 74 78 LEU N N 124.081 0.040 1 728 75 79 GLY H H 8.357 0.004 1 729 75 79 GLY HA2 H 3.904 0.000 1 730 75 79 GLY HA3 H 3.905 0.000 1 731 75 79 GLY C C 173.892 0.010 1 732 75 79 GLY CA C 45.397 0.018 1 733 75 79 GLY N N 109.445 0.036 1 734 76 80 LEU H H 7.973 0.004 1 735 76 80 LEU HA H 4.344 0.000 1 736 76 80 LEU HB2 H 1.553 0.000 2 737 76 80 LEU HB3 H 1.595 0.000 2 738 76 80 LEU HG H 1.558 0.000 1 739 76 80 LEU HD1 H 0.835 0.000 1 740 76 80 LEU HD2 H 0.834 0.000 1 741 76 80 LEU C C 177.187 0.003 1 742 76 80 LEU CA C 54.867 0.012 1 743 76 80 LEU CB C 42.589 0.012 1 744 76 80 LEU CG C 26.853 0.000 1 745 76 80 LEU CD1 C 24.834 0.000 2 746 76 80 LEU CD2 C 23.283 0.000 2 747 76 80 LEU N N 121.134 0.072 1 748 77 81 GLU H H 8.430 0.004 1 749 77 81 GLU HA H 4.579 0.000 1 750 77 81 GLU HB2 H 1.882 0.000 2 751 77 81 GLU HB3 H 2.038 0.000 2 752 77 81 GLU C C 174.522 0.002 1 753 77 81 GLU CA C 54.292 0.051 1 754 77 81 GLU CB C 29.467 0.000 1 755 77 81 GLU N N 122.917 0.053 1 756 78 82 PRO HA H 4.421 0.006 1 757 78 82 PRO HB2 H 2.275 0.000 2 758 78 82 PRO HB3 H 1.925 0.000 2 759 78 82 PRO HG2 H 2.004 0.000 1 760 78 82 PRO HG3 H 2.004 0.000 1 761 78 82 PRO HD2 H 3.789 0.002 2 762 78 82 PRO HD3 H 3.687 0.005 2 763 78 82 PRO C C 176.994 0.013 1 764 78 82 PRO CA C 63.338 0.034 1 765 78 82 PRO CB C 32.139 0.022 1 766 78 82 PRO CG C 27.413 0.000 1 767 78 82 PRO CD C 50.709 0.035 1 768 78 82 PRO N N 137.320 0.038 1 769 79 83 SER H H 8.432 0.004 1 770 79 83 SER HA H 4.430 0.001 1 771 79 83 SER HB2 H 3.891 0.000 2 772 79 83 SER HB3 H 3.841 0.000 2 773 79 83 SER C C 174.757 0.014 1 774 79 83 SER CA C 58.372 0.025 1 775 79 83 SER CB C 63.924 0.028 1 776 79 83 SER N N 116.175 0.044 1 777 80 84 GLU H H 8.476 0.004 1 778 80 84 GLU HA H 4.309 0.006 1 779 80 84 GLU HB2 H 2.070 0.000 2 780 80 84 GLU HB3 H 1.936 0.000 2 781 80 84 GLU HG2 H 2.267 0.000 1 782 80 84 GLU HG3 H 2.267 0.000 1 783 80 84 GLU C C 176.434 0.002 1 784 80 84 GLU CA C 56.700 0.034 1 785 80 84 GLU CB C 30.228 0.006 1 786 80 84 GLU CG C 35.929 0.000 1 787 80 84 GLU N N 122.762 0.045 1 788 81 85 GLU H H 8.334 0.005 1 789 81 85 GLU HA H 4.250 0.004 1 790 81 85 GLU HB2 H 2.019 0.000 2 791 81 85 GLU HB3 H 1.898 0.000 2 792 81 85 GLU HG2 H 2.253 0.000 1 793 81 85 GLU HG3 H 2.253 0.000 1 794 81 85 GLU C C 176.321 0.006 1 795 81 85 GLU CA C 56.639 0.061 1 796 81 85 GLU CB C 30.343 0.020 1 797 81 85 GLU CG C 35.962 0.000 1 798 81 85 GLU N N 121.225 0.038 1 799 82 86 GLU H H 8.299 0.004 1 800 82 86 GLU HA H 4.246 0.000 1 801 82 86 GLU HB2 H 2.013 0.000 2 802 82 86 GLU HB3 H 1.905 0.000 2 803 82 86 GLU HG2 H 2.262 0.000 1 804 82 86 GLU HG3 H 2.262 0.000 1 805 82 86 GLU C C 175.754 0.002 1 806 82 86 GLU CA C 56.251 0.021 1 807 82 86 GLU CB C 30.468 0.007 1 808 82 86 GLU CG C 35.975 0.000 1 809 82 86 GLU N N 121.918 0.040 1 810 83 87 ALA H H 8.266 0.004 1 811 83 87 ALA HA H 4.553 0.002 1 812 83 87 ALA HB H 1.334 0.001 1 813 83 87 ALA C C 175.249 0.010 1 814 83 87 ALA CA C 50.525 0.016 1 815 83 87 ALA CB C 18.121 0.000 1 816 83 87 ALA N N 126.604 0.037 1 817 84 88 PRO HA H 4.406 0.004 1 818 84 88 PRO HB2 H 2.265 0.000 2 819 84 88 PRO HB3 H 1.856 0.000 2 820 84 88 PRO HG2 H 1.998 0.000 1 821 84 88 PRO HG3 H 1.998 0.000 1 822 84 88 PRO C C 176.922 0.007 1 823 84 88 PRO CA C 63.005 0.027 1 824 84 88 PRO CB C 32.053 0.046 1 825 84 88 PRO CG C 27.440 0.000 1 826 84 88 PRO CD C 50.567 0.000 1 827 84 88 PRO N N 135.539 0.004 1 828 85 89 ARG H H 8.461 0.004 1 829 85 89 ARG HA H 4.329 0.005 1 830 85 89 ARG HB2 H 1.813 0.000 2 831 85 89 ARG HB3 H 1.731 0.000 2 832 85 89 ARG HG2 H 1.640 0.000 1 833 85 89 ARG HG3 H 1.641 0.000 1 834 85 89 ARG HD2 H 3.175 0.000 2 835 85 89 ARG HD3 H 3.176 0.000 2 836 85 89 ARG C C 176.257 0.006 1 837 85 89 ARG CA C 55.849 0.025 1 838 85 89 ARG CB C 31.046 0.002 1 839 85 89 ARG CG C 27.065 0.000 1 840 85 89 ARG CD C 43.349 0.000 1 841 85 89 ARG N N 121.767 0.036 1 842 86 90 SER H H 8.389 0.003 1 843 86 90 SER HA H 4.736 0.003 1 844 86 90 SER HB2 H 3.839 0.000 1 845 86 90 SER HB3 H 3.839 0.000 1 846 86 90 SER C C 172.956 0.020 1 847 86 90 SER CA C 56.244 0.041 1 848 86 90 SER CB C 63.491 0.000 1 849 86 90 SER N N 118.460 0.038 1 850 87 91 PRO HA H 4.426 0.004 1 851 87 91 PRO HB2 H 2.275 0.005 2 852 87 91 PRO HB3 H 1.897 0.002 2 853 87 91 PRO HG2 H 1.986 0.000 2 854 87 91 PRO HG3 H 1.986 0.000 2 855 87 91 PRO C C 176.637 0.011 1 856 87 91 PRO CA C 63.270 0.043 1 857 87 91 PRO CB C 32.065 0.045 1 858 87 91 PRO CG C 27.316 0.039 1 859 87 91 PRO CD C 50.760 0.055 1 860 87 91 PRO N N 137.765 0.045 1 861 88 92 LEU H H 8.174 0.004 1 862 88 92 LEU HA H 4.288 0.003 1 863 88 92 LEU HB2 H 1.553 0.000 2 864 88 92 LEU HB3 H 1.554 0.000 2 865 88 92 LEU HG H 1.553 0.000 1 866 88 92 LEU HD1 H 0.862 0.000 1 867 88 92 LEU HD2 H 0.862 0.000 1 868 88 92 LEU C C 176.750 0.008 1 869 88 92 LEU CA C 54.864 0.020 1 870 88 92 LEU CB C 42.379 0.021 1 871 88 92 LEU CG C 27.018 0.000 1 872 88 92 LEU CD1 C 24.789 0.000 2 873 88 92 LEU CD2 C 23.365 0.000 2 874 88 92 LEU N N 121.659 0.034 1 875 89 93 ALA H H 8.184 0.004 1 876 89 93 ALA HA H 4.578 0.002 1 877 89 93 ALA HB H 1.340 0.007 1 878 89 93 ALA C C 175.441 0.013 1 879 89 93 ALA CA C 50.417 0.018 1 880 89 93 ALA CB C 18.222 0.000 1 881 89 93 ALA N N 126.076 0.045 1 882 90 94 PRO HA H 4.420 0.004 1 883 90 94 PRO HB2 H 2.283 0.000 2 884 90 94 PRO HB3 H 1.925 0.000 2 885 90 94 PRO HG2 H 1.998 0.000 1 886 90 94 PRO HG3 H 1.998 0.000 1 887 90 94 PRO HD2 H 3.757 0.000 2 888 90 94 PRO HD3 H 3.632 0.000 2 889 90 94 PRO C C 177.122 0.009 1 890 90 94 PRO CA C 63.259 0.031 1 891 90 94 PRO CB C 32.111 0.010 1 892 90 94 PRO CG C 27.436 0.000 1 893 90 94 PRO CD C 50.554 0.000 1 894 90 94 PRO N N 135.635 0.032 1 895 91 95 SER H H 8.379 0.004 1 896 91 95 SER HA H 4.402 0.001 1 897 91 95 SER HB2 H 3.843 0.000 2 898 91 95 SER HB3 H 3.888 0.000 2 899 91 95 SER C C 174.723 0.012 1 900 91 95 SER CA C 58.513 0.042 1 901 91 95 SER CB C 63.886 0.081 1 902 91 95 SER N N 115.875 0.041 1 903 92 96 GLU H H 8.433 0.004 1 904 92 96 GLU HA H 4.323 0.005 1 905 92 96 GLU HB2 H 1.955 0.005 2 906 92 96 GLU HB3 H 2.075 0.001 2 907 92 96 GLU HG2 H 2.260 0.000 1 908 92 96 GLU HG3 H 2.260 0.000 1 909 92 96 GLU C C 176.872 0.002 1 910 92 96 GLU CA C 56.714 0.035 1 911 92 96 GLU CB C 30.252 0.023 1 912 92 96 GLU CG C 35.964 0.000 1 913 92 96 GLU N N 122.670 0.050 1 914 93 97 GLY H H 8.399 0.004 1 915 93 97 GLY HA2 H 3.952 0.010 2 916 93 97 GLY HA3 H 3.938 0.000 2 917 93 97 GLY C C 173.930 0.012 1 918 93 97 GLY CA C 45.279 0.054 1 919 93 97 GLY N N 109.898 0.031 1 920 94 98 ALA H H 8.207 0.004 1 921 94 98 ALA HA H 4.327 0.006 1 922 94 98 ALA HB H 1.386 0.000 1 923 94 98 ALA C C 178.299 0.009 1 924 94 98 ALA CA C 52.687 0.012 1 925 94 98 ALA CB C 19.299 0.005 1 926 94 98 ALA N N 123.887 0.047 1 927 95 99 GLY H H 8.455 0.004 1 928 95 99 GLY HA2 H 3.976 0.004 2 929 95 99 GLY HA3 H 3.971 0.000 2 930 95 99 GLY C C 174.281 0.014 1 931 95 99 GLY CA C 45.317 0.055 1 932 95 99 GLY N N 108.443 0.086 1 933 96 100 SER H H 8.182 0.004 1 934 96 100 SER HA H 4.451 0.001 1 935 96 100 SER HB2 H 3.819 0.000 2 936 96 100 SER HB3 H 3.877 0.000 2 937 96 100 SER C C 174.260 0.012 1 938 96 100 SER CA C 58.441 0.027 1 939 96 100 SER CB C 64.046 0.063 1 940 96 100 SER N N 115.282 0.043 1 941 97 101 ASP H H 8.449 0.004 1 942 97 101 ASP HA H 4.600 0.005 1 943 97 101 ASP HB2 H 2.618 0.000 2 944 97 101 ASP HB3 H 2.618 0.000 2 945 97 101 ASP C C 175.961 0.008 1 946 97 101 ASP CA C 54.364 0.029 1 947 97 101 ASP CB C 40.992 0.007 1 948 97 101 ASP N N 122.290 0.042 1 949 98 102 VAL H H 7.876 0.004 1 950 98 102 VAL HA H 4.044 0.006 1 951 98 102 VAL HB H 1.959 0.000 1 952 98 102 VAL HG1 H 0.795 0.000 1 953 98 102 VAL HG2 H 0.795 0.000 1 954 98 102 VAL C C 175.773 0.010 1 955 98 102 VAL CA C 62.289 0.046 1 956 98 102 VAL CB C 32.731 0.034 1 957 98 102 VAL CG1 C 21.080 0.000 2 958 98 102 VAL CG2 C 20.480 0.000 2 959 98 102 VAL N N 119.223 0.038 1 960 99 103 PHE H H 8.312 0.004 1 961 99 103 PHE HA H 4.646 0.005 1 962 99 103 PHE HB2 H 3.105 0.000 2 963 99 103 PHE HB3 H 3.009 0.000 2 964 99 103 PHE C C 175.345 0.009 1 965 99 103 PHE CA C 57.649 0.038 1 966 99 103 PHE CB C 39.697 0.040 1 967 99 103 PHE N N 123.945 0.052 1 968 100 104 ASP H H 8.226 0.003 1 969 100 104 ASP HA H 4.555 0.000 1 970 100 104 ASP HB2 H 2.603 0.000 2 971 100 104 ASP HB3 H 2.646 0.000 2 972 100 104 ASP C C 176.413 0.009 1 973 100 104 ASP CA C 54.154 0.034 1 974 100 104 ASP CB C 41.135 0.014 1 975 100 104 ASP N N 123.165 0.049 1 976 101 105 GLY H H 7.707 0.004 1 977 101 105 GLY HA2 H 3.844 0.005 2 978 101 105 GLY HA3 H 3.837 0.000 2 979 101 105 GLY C C 173.870 0.013 1 980 101 105 GLY CA C 45.589 0.032 1 981 101 105 GLY N N 108.753 0.057 1 982 102 106 ASP H H 8.213 0.004 1 983 102 106 ASP HA H 4.615 0.001 1 984 102 106 ASP HB2 H 2.732 0.002 2 985 102 106 ASP HB3 H 2.633 0.004 2 986 102 106 ASP C C 176.642 0.008 1 987 102 106 ASP CA C 54.499 0.037 1 988 102 106 ASP CB C 41.204 0.006 1 989 102 106 ASP N N 120.319 0.049 1 990 103 107 LEU H H 8.241 0.003 1 991 103 107 LEU HA H 4.269 0.004 1 992 103 107 LEU HB2 H 1.675 0.010 2 993 103 107 LEU HB3 H 1.604 0.001 2 994 103 107 LEU HG H 1.628 0.000 1 995 103 107 LEU HD1 H 0.875 0.000 2 996 103 107 LEU HD2 H 0.851 0.000 2 997 103 107 LEU C C 178.191 0.003 1 998 103 107 LEU CA C 55.693 0.016 1 999 103 107 LEU CB C 42.071 0.024 1 1000 103 107 LEU CG C 26.897 0.000 1 1001 103 107 LEU CD1 C 25.119 0.000 2 1002 103 107 LEU CD2 C 23.323 0.000 2 1003 103 107 LEU N N 122.530 0.048 1 1004 104 108 GLY H H 8.427 0.004 1 1005 104 108 GLY HA2 H 3.917 0.006 2 1006 104 108 GLY HA3 H 3.908 0.000 2 1007 104 108 GLY C C 174.729 0.008 1 1008 104 108 GLY CA C 45.630 0.047 1 1009 104 108 GLY N N 108.745 0.036 1 1010 105 109 MET H H 8.193 0.004 1 1011 105 109 MET HA H 4.442 0.006 1 1012 105 109 MET HB2 H 2.102 0.000 2 1013 105 109 MET HB3 H 2.001 0.000 2 1014 105 109 MET HG2 H 2.601 0.000 2 1015 105 109 MET HG3 H 2.498 0.000 2 1016 105 109 MET C C 177.059 0.007 1 1017 105 109 MET CA C 55.842 0.068 1 1018 105 109 MET CB C 32.668 0.002 1 1019 105 109 MET CG C 32.088 0.000 1 1020 105 109 MET N N 119.627 0.038 1 1021 106 110 GLY H H 8.456 0.003 1 1022 106 110 GLY HA2 H 3.906 0.006 2 1023 106 110 GLY HA3 H 3.899 0.000 2 1024 106 110 GLY C C 174.122 0.010 1 1025 106 110 GLY CA C 45.530 0.028 1 1026 106 110 GLY N N 109.736 0.038 1 1027 107 111 ALA H H 8.078 0.003 1 1028 107 111 ALA HA H 4.270 0.004 1 1029 107 111 ALA HB H 1.358 0.000 1 1030 107 111 ALA C C 177.736 0.012 1 1031 107 111 ALA CA C 52.649 0.031 1 1032 107 111 ALA CB C 19.288 0.022 1 1033 107 111 ALA N N 123.757 0.037 1 1034 108 112 ALA H H 8.197 0.003 1 1035 108 112 ALA HA H 4.265 0.005 1 1036 108 112 ALA HB H 1.373 0.000 1 1037 108 112 ALA C C 177.894 0.008 1 1038 108 112 ALA CA C 52.705 0.024 1 1039 108 112 ALA CB C 19.024 0.024 1 1040 108 112 ALA N N 122.807 0.055 1 1041 109 113 LYS H H 8.190 0.004 1 1042 109 113 LYS HA H 4.266 0.005 1 1043 109 113 LYS HB2 H 1.831 0.000 2 1044 109 113 LYS HB3 H 1.746 0.000 2 1045 109 113 LYS HG2 H 1.413 0.000 2 1046 109 113 LYS HG3 H 1.439 0.000 2 1047 109 113 LYS HD2 H 1.662 0.000 1 1048 109 113 LYS C C 177.204 0.005 1 1049 109 113 LYS CA C 56.551 0.038 1 1050 109 113 LYS CB C 32.987 0.015 1 1051 109 113 LYS CG C 24.777 0.000 1 1052 109 113 LYS CD C 29.096 0.000 1 1053 109 113 LYS N N 120.112 0.034 1 1054 110 114 GLY H H 8.312 0.004 1 1055 110 114 GLY HA2 H 3.934 0.005 2 1056 110 114 GLY HA3 H 3.928 0.000 2 1057 110 114 GLY C C 174.221 0.014 1 1058 110 114 GLY CA C 45.350 0.037 1 1059 110 114 GLY N N 109.343 0.039 1 1060 111 115 LEU H H 8.076 0.004 1 1061 111 115 LEU HA H 4.320 0.005 1 1062 111 115 LEU HB2 H 1.582 0.000 2 1063 111 115 LEU HB3 H 1.629 0.000 2 1064 111 115 LEU HG H 1.593 0.000 1 1065 111 115 LEU HD1 H 0.870 0.000 1 1066 111 115 LEU HD2 H 0.870 0.000 1 1067 111 115 LEU C C 177.569 0.003 1 1068 111 115 LEU CA C 55.394 0.012 1 1069 111 115 LEU CB C 42.375 0.029 1 1070 111 115 LEU CG C 26.978 0.000 1 1071 111 115 LEU CD1 C 24.846 0.000 2 1072 111 115 LEU CD2 C 23.415 0.000 2 1073 111 115 LEU N N 121.542 0.036 1 1074 112 116 GLN H H 8.384 0.003 1 1075 112 116 GLN HA H 4.340 0.005 1 1076 112 116 GLN HB2 H 2.098 0.000 2 1077 112 116 GLN HB3 H 1.969 0.000 2 1078 112 116 GLN HG2 H 2.346 0.000 2 1079 112 116 GLN HG3 H 2.345 0.000 2 1080 112 116 GLN C C 175.796 0.012 1 1081 112 116 GLN CA C 55.912 0.050 1 1082 112 116 GLN CB C 29.470 0.015 1 1083 112 116 GLN CG C 33.900 0.000 1 1084 112 116 GLN N N 120.691 0.035 1 1085 113 117 SER H H 8.230 0.004 1 1086 113 117 SER HA H 4.438 0.001 1 1087 113 117 SER HB2 H 3.806 0.000 2 1088 113 117 SER HB3 H 3.806 0.000 2 1089 113 117 SER C C 173.950 0.010 1 1090 113 117 SER CA C 58.115 0.022 1 1091 113 117 SER CB C 63.892 0.052 1 1092 113 117 SER N N 116.927 0.042 1 1093 114 118 LEU H H 8.216 0.004 1 1094 114 118 LEU HA H 4.623 0.001 1 1095 114 118 LEU HB2 H 1.540 0.000 2 1096 114 118 LEU HB3 H 1.598 0.000 2 1097 114 118 LEU C C 175.322 0.000 1 1098 114 118 LEU CA C 53.139 0.034 1 1099 114 118 LEU CB C 41.821 0.000 1 1100 114 118 LEU N N 125.122 0.044 1 1101 115 119 PRO HA H 4.466 0.005 1 1102 115 119 PRO HB2 H 2.259 0.000 2 1103 115 119 PRO HB3 H 1.847 0.000 2 1104 115 119 PRO HG2 H 2.006 0.000 1 1105 115 119 PRO HG3 H 2.006 0.000 1 1106 115 119 PRO HD2 H 3.820 0.000 2 1107 115 119 PRO HD3 H 3.619 0.000 2 1108 115 119 PRO C C 176.988 0.010 1 1109 115 119 PRO CA C 63.171 0.020 1 1110 115 119 PRO CB C 32.067 0.013 1 1111 115 119 PRO CG C 27.435 0.000 1 1112 115 119 PRO N N 136.111 0.005 1 1113 116 120 THR H H 8.144 0.003 1 1114 116 120 THR HA H 4.340 0.000 1 1115 116 120 THR HB H 4.166 0.000 1 1116 116 120 THR HG2 H 1.159 0.000 1 1117 116 120 THR C C 174.221 0.015 1 1118 116 120 THR CA C 61.648 0.027 1 1119 116 120 THR CB C 69.909 0.044 1 1120 116 120 THR CG2 C 21.742 0.000 1 1121 116 120 THR N N 113.887 0.044 1 1122 117 121 HIS H H 8.405 0.005 1 1123 117 121 HIS HA H 4.701 0.003 1 1124 117 121 HIS HB2 H 3.221 0.000 2 1125 117 121 HIS HB3 H 3.121 0.000 2 1126 117 121 HIS C C 173.765 0.005 1 1127 117 121 HIS CA C 55.075 0.028 1 1128 117 121 HIS CB C 29.530 0.053 1 1129 117 121 HIS N N 120.227 0.056 1 1130 118 122 ASP H H 8.456 0.004 1 1131 118 122 ASP HA H 4.829 0.001 1 1132 118 122 ASP HB2 H 2.468 0.000 2 1133 118 122 ASP HB3 H 2.701 0.000 2 1134 118 122 ASP C C 174.252 0.008 1 1135 118 122 ASP CA C 52.658 0.034 1 1136 118 122 ASP CB C 40.708 0.000 1 1137 118 122 ASP N N 123.758 0.057 1 1138 119 123 PRO HA H 4.454 0.005 1 1139 119 123 PRO HB2 H 2.234 0.000 2 1140 119 123 PRO HB3 H 1.937 0.000 2 1141 119 123 PRO HG2 H 1.969 0.000 2 1142 119 123 PRO HG3 H 1.970 0.000 2 1143 119 123 PRO C C 176.749 0.002 1 1144 119 123 PRO CA C 63.116 0.031 1 1145 119 123 PRO CB C 32.116 0.011 1 1146 119 123 PRO CG C 27.127 0.000 1 1147 119 123 PRO CD C 50.659 0.000 1 1148 119 123 PRO N N 136.262 0.054 1 1149 120 124 SER H H 8.446 0.003 1 1150 120 124 SER HA H 4.694 0.000 1 1151 120 124 SER HB2 H 3.856 0.000 1 1152 120 124 SER HB3 H 3.856 0.000 1 1153 120 124 SER C C 173.113 0.013 1 1154 120 124 SER CA C 56.622 0.027 1 1155 120 124 SER CB C 63.422 0.000 1 1156 120 124 SER N N 117.650 0.045 1 1157 121 125 PRO HA H 4.417 0.005 1 1158 121 125 PRO HB2 H 2.272 0.000 2 1159 121 125 PRO HB3 H 1.899 0.000 2 1160 121 125 PRO HG2 H 1.972 0.000 1 1161 121 125 PRO HG3 H 1.971 0.000 1 1162 121 125 PRO HD2 H 3.701 0.000 1 1163 121 125 PRO C C 176.962 0.011 1 1164 121 125 PRO CA C 63.546 0.027 1 1165 121 125 PRO CB C 32.112 0.022 1 1166 121 125 PRO CG C 27.240 0.000 1 1167 121 125 PRO CD C 50.808 0.000 1 1168 121 125 PRO N N 137.801 0.033 5 1169 122 126 LEU H H 8.145 0.003 1 1170 122 126 LEU HA H 4.258 0.007 1 1171 122 126 LEU HB2 H 1.553 0.000 2 1172 122 126 LEU HB3 H 1.600 0.000 2 1173 122 126 LEU HG H 1.575 0.000 1 1174 122 126 LEU HD1 H 0.871 0.000 2 1175 122 126 LEU HD2 H 0.871 0.000 2 1176 122 126 LEU C C 177.404 0.005 1 1177 122 126 LEU CA C 55.429 0.015 1 1178 122 126 LEU CB C 42.234 0.012 1 1179 122 126 LEU CG C 27.234 0.000 1 1180 122 126 LEU CD1 C 24.880 0.000 2 1181 122 126 LEU CD2 C 23.557 0.000 2 1182 122 126 LEU N N 120.993 0.045 1 1183 123 127 GLN H H 8.155 0.003 1 1184 123 127 GLN HA H 4.256 0.005 1 1185 123 127 GLN HB2 H 1.943 0.000 2 1186 123 127 GLN HB3 H 1.994 0.000 2 1187 123 127 GLN HG2 H 2.263 0.000 1 1188 123 127 GLN HG3 H 2.263 0.000 1 1189 123 127 GLN C C 175.543 0.017 1 1190 123 127 GLN CA C 55.843 0.054 1 1191 123 127 GLN CB C 29.414 0.010 1 1192 123 127 GLN CG C 33.780 0.000 1 1193 123 127 GLN N N 120.949 0.042 1 1194 124 128 ARG H H 8.207 0.003 1 1195 124 128 ARG HA H 4.262 0.006 1 1196 124 128 ARG HB2 H 1.655 0.000 2 1197 124 128 ARG HB3 H 1.707 0.000 2 1198 124 128 ARG HG2 H 1.467 0.000 2 1199 124 128 ARG HG3 H 1.482 0.000 2 1200 124 128 ARG HD2 H 3.113 0.000 2 1201 124 128 ARG HD3 H 3.111 0.000 2 1202 124 128 ARG C C 175.865 0.012 1 1203 124 128 ARG CA C 56.096 0.044 1 1204 124 128 ARG CB C 30.981 0.009 1 1205 124 128 ARG CG C 26.967 0.000 1 1206 124 128 ARG CD C 43.375 0.000 1 1207 124 128 ARG N N 122.105 0.053 1 1208 125 129 TYR H H 8.252 0.003 1 1209 125 129 TYR HA H 4.597 0.005 1 1210 125 129 TYR HB2 H 3.070 0.000 2 1211 125 129 TYR HB3 H 2.911 0.000 2 1212 125 129 TYR C C 175.693 0.009 1 1213 125 129 TYR CA C 57.908 0.052 1 1214 125 129 TYR CB C 38.947 0.021 1 1215 125 129 TYR N N 121.361 0.065 1 1216 126 130 SER H H 8.134 0.004 1 1217 126 130 SER HA H 4.381 0.001 1 1218 126 130 SER HB2 H 3.769 0.002 2 1219 126 130 SER HB3 H 3.821 0.000 2 1220 126 130 SER C C 174.010 0.013 1 1221 126 130 SER CA C 58.177 0.022 1 1222 126 130 SER CB C 64.123 0.045 1 1223 126 130 SER N N 117.161 0.042 1 1224 127 131 GLU H H 8.322 0.003 1 1225 127 131 GLU HA H 4.266 0.000 1 1226 127 131 GLU HB2 H 2.048 0.000 2 1227 127 131 GLU HB3 H 1.881 0.000 2 1228 127 131 GLU HG2 H 2.246 0.000 2 1229 127 131 GLU HG3 H 2.248 0.000 2 1230 127 131 GLU C C 175.771 0.007 1 1231 127 131 GLU CA C 56.352 0.062 1 1232 127 131 GLU CB C 30.274 0.012 1 1233 127 131 GLU CG C 36.000 0.000 1 1234 127 131 GLU N N 122.413 0.050 1 1235 128 132 ASP H H 8.273 0.003 1 1236 128 132 ASP HA H 4.859 0.001 1 1237 128 132 ASP HB2 H 2.513 0.000 2 1238 128 132 ASP HB3 H 2.783 0.000 2 1239 128 132 ASP C C 174.680 0.000 1 1240 128 132 ASP CA C 52.095 0.070 1 1241 128 132 ASP CB C 41.065 0.000 1 1242 128 132 ASP N N 122.385 0.060 1 1243 129 133 PRO HA H 4.486 0.004 1 1244 129 133 PRO HB2 H 2.243 0.000 2 1245 129 133 PRO HB3 H 1.967 0.000 2 1246 129 133 PRO HG2 H 1.974 0.000 1 1247 129 133 PRO HG3 H 1.974 0.000 1 1248 129 133 PRO C C 177.187 0.006 1 1249 129 133 PRO CA C 63.417 0.025 1 1250 129 133 PRO CB C 32.141 0.016 1 1251 129 133 PRO CG C 27.029 0.000 1 1252 129 133 PRO CD C 50.771 0.000 1 1253 129 133 PRO N N 136.427 0.034 1 1254 130 134 THR H H 8.366 0.008 1 1255 130 134 THR HA H 4.251 0.006 1 1256 130 134 THR HB H 4.173 0.000 1 1257 130 134 THR HG2 H 1.174 0.000 1 1258 130 134 THR C C 174.478 0.014 1 1259 130 134 THR CA C 62.514 0.023 1 1260 130 134 THR CB C 69.686 0.026 1 1261 130 134 THR CG2 C 21.883 0.000 1 1262 130 134 THR N N 114.042 0.035 1 1263 131 135 VAL H H 7.851 0.004 1 1264 131 135 VAL HA H 4.408 0.001 1 1265 131 135 VAL HB H 2.070 0.000 1 1266 131 135 VAL C C 174.030 0.013 1 1267 131 135 VAL CA C 59.808 0.038 1 1268 131 135 VAL CB C 32.694 0.000 1 1269 131 135 VAL N N 123.902 0.044 1 1270 132 136 PRO HA H 4.394 0.005 1 1271 132 136 PRO HB2 H 2.212 0.000 2 1272 132 136 PRO HB3 H 1.826 0.000 2 1273 132 136 PRO HD2 H 3.845 0.000 2 1274 132 136 PRO HD3 H 3.823 0.000 2 1275 132 136 PRO C C 176.555 0.009 1 1276 132 136 PRO CA C 62.781 0.040 1 1277 132 136 PRO CB C 32.134 0.029 1 1278 132 136 PRO CG C 27.336 0.000 1 1279 132 136 PRO CD C 51.121 0.010 1 1280 132 136 PRO N N 138.970 0.027 1 1281 133 137 LEU H H 8.315 0.004 1 1282 133 137 LEU HA H 4.560 0.000 1 1283 133 137 LEU HB2 H 1.546 0.000 1 1284 133 137 LEU HB3 H 1.546 0.000 1 1285 133 137 LEU C C 175.762 0.001 1 1286 133 137 LEU CA C 53.116 0.088 1 1287 133 137 LEU CB C 41.691 0.000 1 1288 133 137 LEU N N 123.571 0.063 1 1289 134 138 PRO HA H 4.386 0.004 1 1290 134 138 PRO HB2 H 2.270 0.000 2 1291 134 138 PRO HB3 H 1.881 0.000 2 1292 134 138 PRO HG2 H 1.986 0.000 1 1293 134 138 PRO HG3 H 1.987 0.000 1 1294 134 138 PRO HD2 H 3.823 0.000 2 1295 134 138 PRO HD3 H 3.613 0.000 2 1296 134 138 PRO C C 176.945 0.010 1 1297 134 138 PRO CA C 63.428 0.027 1 1298 134 138 PRO CB C 32.008 0.020 1 1299 134 138 PRO CG C 27.457 0.000 1 1300 134 138 PRO CD C 50.533 0.000 1 1301 134 138 PRO N N 136.602 0.100 1 1302 135 139 SER H H 8.262 0.008 1 1303 135 139 SER HA H 4.347 0.002 1 1304 135 139 SER HB2 H 3.816 0.011 2 1305 135 139 SER HB3 H 3.879 0.002 2 1306 135 139 SER C C 174.934 0.008 1 1307 135 139 SER CA C 58.357 0.049 1 1308 135 139 SER CB C 63.854 0.012 1 1309 135 139 SER N N 115.053 0.040 1 1310 136 140 GLU H H 8.464 0.004 1 1311 136 140 GLU HA H 4.367 0.004 1 1312 136 140 GLU HB2 H 2.097 0.000 2 1313 136 140 GLU HB3 H 1.973 0.000 2 1314 136 140 GLU HG2 H 2.262 0.000 2 1315 136 140 GLU HG3 H 2.263 0.000 2 1316 136 140 GLU C C 176.789 0.005 1 1317 136 140 GLU CA C 56.833 0.047 1 1318 136 140 GLU CB C 30.044 0.005 1 1319 136 140 GLU CG C 36.028 0.000 1 1320 136 140 GLU N N 122.722 0.035 1 1321 137 141 THR H H 8.079 0.004 1 1322 137 141 THR HA H 4.322 0.009 1 1323 137 141 THR HB H 4.233 0.004 1 1324 137 141 THR HG2 H 1.159 0.000 1 1325 137 141 THR C C 174.492 0.011 1 1326 137 141 THR CA C 61.952 0.060 1 1327 137 141 THR CB C 69.839 0.006 1 1328 137 141 THR CG2 C 21.622 0.000 1 1329 137 141 THR N N 113.754 0.043 1 1330 138 142 ASP H H 8.295 0.009 1 1331 138 142 ASP HA H 4.589 0.001 1 1332 138 142 ASP HB2 H 2.664 0.004 2 1333 138 142 ASP HB3 H 2.695 0.006 2 1334 138 142 ASP C C 176.624 0.004 1 1335 138 142 ASP CA C 54.829 0.022 1 1336 138 142 ASP CB C 41.088 0.019 1 1337 138 142 ASP N N 122.789 0.050 1 1338 139 143 GLY H H 8.302 0.004 1 1339 139 143 GLY HA2 H 3.879 0.000 2 1340 139 143 GLY HA3 H 3.886 0.000 2 1341 139 143 GLY C C 173.715 0.009 1 1342 139 143 GLY CA C 45.327 0.064 1 1343 139 143 GLY N N 109.233 0.046 1 1344 140 144 TYR H H 7.994 0.009 1 1345 140 144 TYR HA H 4.449 0.005 1 1346 140 144 TYR HB2 H 3.003 0.000 2 1347 140 144 TYR HB3 H 2.864 0.000 2 1348 140 144 TYR C C 175.212 0.010 1 1349 140 144 TYR CA C 58.504 0.050 1 1350 140 144 TYR CB C 38.975 0.031 1 1351 140 144 TYR N N 120.986 0.050 1 1352 141 145 VAL H H 7.776 0.011 1 1353 141 145 VAL HA H 3.924 0.004 1 1354 141 145 VAL HB H 1.831 0.004 1 1355 141 145 VAL HG1 H 0.818 0.000 1 1356 141 145 VAL HG2 H 0.817 0.000 1 1357 141 145 VAL C C 174.457 0.004 1 1358 141 145 VAL CA C 61.389 0.041 1 1359 141 145 VAL CB C 33.305 0.039 1 1360 141 145 VAL CG1 C 20.908 0.000 1 1361 141 145 VAL N N 125.980 0.033 1 1362 142 146 ALA H H 8.230 0.008 1 1363 142 146 ALA HA H 4.371 0.001 1 1364 142 146 ALA HB H 1.340 0.010 1 1365 142 146 ALA C C 175.515 0.015 1 1366 142 146 ALA CA C 50.434 0.015 1 1367 142 146 ALA CB C 17.911 0.000 1 1368 142 146 ALA N N 129.822 0.036 1 1369 143 147 PRO HA H 4.392 0.005 1 1370 143 147 PRO HB2 H 2.250 0.000 2 1371 143 147 PRO HB3 H 1.884 0.000 2 1372 143 147 PRO HG2 H 2.019 0.000 2 1373 143 147 PRO HG3 H 2.021 0.000 2 1374 143 147 PRO C C 176.857 0.014 1 1375 143 147 PRO CA C 62.840 0.020 1 1376 143 147 PRO CB C 32.123 0.005 1 1377 143 147 PRO CG C 27.344 0.000 1 1378 143 147 PRO CD C 50.707 0.000 1 1379 143 147 PRO N N 134.961 0.041 1 1380 144 148 LEU H H 8.342 0.011 1 1381 144 148 LEU HA H 4.345 0.003 1 1382 144 148 LEU HB2 H 1.595 0.000 2 1383 144 148 LEU HB3 H 1.649 0.000 2 1384 144 148 LEU HG H 1.630 0.000 1 1385 144 148 LEU HD1 H 0.879 0.000 1 1386 144 148 LEU HD2 H 0.879 0.000 1 1387 144 148 LEU C C 177.739 0.002 1 1388 144 148 LEU CA C 55.400 0.019 1 1389 144 148 LEU CB C 42.313 0.024 1 1390 144 148 LEU CG C 27.073 0.000 1 1391 144 148 LEU CD1 C 24.852 0.000 2 1392 144 148 LEU CD2 C 23.525 0.000 2 1393 144 148 LEU N N 122.258 0.045 1 1394 145 149 THR H H 8.113 0.010 1 1395 145 149 THR HA H 4.357 0.015 1 1396 145 149 THR HB H 4.211 0.005 1 1397 145 149 THR HG2 H 1.173 0.000 1 1398 145 149 THR C C 174.224 0.013 1 1399 145 149 THR CA C 61.664 0.064 1 1400 145 149 THR CB C 69.915 0.037 1 1401 145 149 THR CG2 C 21.667 0.000 1 1402 145 149 THR N N 114.457 0.045 1 1403 146 150 CYS H H 8.315 0.003 1 1404 146 150 CYS HA H 4.576 0.005 1 1405 146 150 CYS HB2 H 2.918 0.005 2 1406 146 150 CYS HB3 H 2.921 0.000 2 1407 146 150 CYS C C 174.100 0.012 1 1408 146 150 CYS CA C 58.029 0.037 1 1409 146 150 CYS CB C 28.343 0.030 1 1410 146 150 CYS N N 121.027 0.052 1 1411 147 151 SER H H 8.411 0.003 1 1412 147 151 SER HA H 4.736 0.002 1 1413 147 151 SER HB2 H 3.786 0.000 2 1414 147 151 SER HB3 H 3.861 0.000 2 1415 147 151 SER C C 172.395 0.000 1 1416 147 151 SER CA C 56.521 0.006 1 1417 147 151 SER CB C 63.301 0.000 1 1418 147 151 SER N N 119.681 0.046 1 1419 148 152 PRO HA H 4.766 0.001 1 1420 148 152 PRO HB2 H 2.336 0.000 1 1421 148 152 PRO C C 176.016 0.015 1 1422 148 152 PRO CA C 62.796 0.027 1 1423 148 152 PRO CB C 34.359 0.030 1 1424 148 152 PRO N N 137.752 0.005 1 1425 149 153 GLN H H 8.605 0.004 1 1426 149 153 GLN HA H 4.534 0.000 1 1427 149 153 GLN HB2 H 1.968 0.000 2 1428 149 153 GLN HB3 H 2.094 0.000 2 1429 149 153 GLN C C 174.198 0.000 1 1430 149 153 GLN CA C 54.198 0.000 1 1431 149 153 GLN CB C 28.785 0.000 1 1432 149 153 GLN N N 121.893 0.062 1 1433 150 154 PRO HA H 4.348 0.005 1 1434 150 154 PRO HB2 H 2.208 0.000 2 1435 150 154 PRO HB3 H 1.716 0.000 2 1436 150 154 PRO HD2 H 3.634 0.000 1 1437 150 154 PRO C C 176.638 0.013 1 1438 150 154 PRO CA C 63.315 0.053 1 1439 150 154 PRO CB C 32.125 0.048 1 1440 150 154 PRO CG C 27.449 0.000 1 1441 150 154 PRO CD C 50.923 0.000 1 1442 151 155 GLU H H 8.496 0.003 1 1443 151 155 GLU HA H 4.166 0.007 1 1444 151 155 GLU HB2 H 1.852 0.003 2 1445 151 155 GLU HB3 H 1.913 0.000 2 1446 151 155 GLU HG2 H 2.211 0.000 2 1447 151 155 GLU HG3 H 2.132 0.000 2 1448 151 155 GLU C C 176.120 0.006 1 1449 151 155 GLU CA C 56.758 0.024 1 1450 151 155 GLU CB C 30.206 0.013 1 1451 151 155 GLU CG C 35.940 0.000 1 1452 151 155 GLU N N 120.509 0.049 1 1453 152 156 TYR H H 8.080 0.003 1 1454 152 156 TYR HA H 4.583 0.006 1 1455 152 156 TYR HB2 H 3.010 0.000 2 1456 152 156 TYR HB3 H 2.918 0.000 2 1457 152 156 TYR C C 175.540 0.019 1 1458 152 156 TYR CA C 57.664 0.030 1 1459 152 156 TYR CB C 38.771 0.040 1 1460 152 156 TYR N N 120.488 0.042 1 1461 153 157 VAL H H 7.911 0.004 1 1462 153 157 VAL HA H 4.020 0.005 1 1463 153 157 VAL HB H 1.976 0.003 1 1464 153 157 VAL HG1 H 0.856 0.000 1 1465 153 157 VAL C C 175.366 0.016 1 1466 153 157 VAL CA C 62.287 0.040 1 1467 153 157 VAL CB C 32.938 0.032 1 1468 153 157 VAL CG1 C 20.867 0.000 1 1469 153 157 VAL N N 121.967 0.034 1 1470 154 158 ASN H H 8.390 0.003 1 1471 154 158 ASN HA H 4.635 0.008 1 1472 154 158 ASN HB2 H 2.779 0.000 2 1473 154 158 ASN HB3 H 2.683 0.000 2 1474 154 158 ASN C C 174.605 0.012 1 1475 154 158 ASN CA C 53.259 0.022 1 1476 154 158 ASN CB C 39.001 0.019 1 1477 154 158 ASN N N 122.001 0.043 1 1478 155 159 GLN H H 8.256 0.004 1 1479 155 159 GLN HB2 H 1.911 0.000 2 1480 155 159 GLN HB3 H 2.080 0.000 2 1481 155 159 GLN C C 173.813 0.010 1 1482 155 159 GLN CA C 53.692 0.006 1 1483 155 159 GLN CB C 29.079 0.000 1 1484 155 159 GLN N N 121.801 0.039 1 1485 156 160 PRO HA H 4.372 0.006 1 1486 156 160 PRO HB2 H 2.235 0.000 2 1487 156 160 PRO HB3 H 1.879 0.000 2 1488 156 160 PRO HG2 H 1.954 0.000 1 1489 156 160 PRO C C 176.434 0.014 1 1490 156 160 PRO CA C 63.348 0.043 1 1491 156 160 PRO CB C 32.124 0.005 1 1492 156 160 PRO CG C 27.276 0.000 1 1493 156 160 PRO CD C 50.766 0.000 1 1494 156 160 PRO N N 136.561 0.000 1 1495 157 161 ASP H H 8.421 0.004 1 1496 157 161 ASP HA H 4.560 0.006 1 1497 157 161 ASP HB2 H 2.686 0.000 2 1498 157 161 ASP HB3 H 2.578 0.000 2 1499 157 161 ASP C C 176.046 0.011 1 1500 157 161 ASP CA C 54.307 0.033 1 1501 157 161 ASP CB C 40.955 0.016 1 1502 157 161 ASP N N 120.079 0.048 1 1503 158 162 VAL H H 7.957 0.003 1 1504 158 162 VAL HA H 4.114 0.007 1 1505 158 162 VAL HB H 2.051 0.000 1 1506 158 162 VAL HG1 H 0.879 0.000 1 1507 158 162 VAL HG2 H 0.879 0.000 1 1508 158 162 VAL C C 175.818 0.016 1 1509 158 162 VAL CA C 62.055 0.084 1 1510 158 162 VAL CB C 32.651 0.018 1 1511 158 162 VAL CG1 C 20.668 0.000 1 1512 158 162 VAL N N 120.170 0.041 1 1513 159 163 ARG H H 8.348 0.004 1 1514 159 163 ARG HA H 4.599 0.001 1 1515 159 163 ARG HB2 H 1.723 0.000 2 1516 159 163 ARG HB3 H 1.815 0.000 2 1517 159 163 ARG HG2 H 1.644 0.000 1 1518 159 163 ARG HD2 H 3.193 0.004 1 1519 159 163 ARG C C 174.055 0.015 1 1520 159 163 ARG CA C 53.844 0.032 1 1521 159 163 ARG CB C 30.172 0.000 1 1522 159 163 ARG CG C 26.936 0.052 1 1523 159 163 ARG CD C 43.320 0.111 1 1524 159 163 ARG N N 125.982 0.051 1 1525 160 164 PRO HA H 4.406 0.010 1 1526 160 164 PRO HB2 H 2.259 0.000 2 1527 160 164 PRO HB3 H 1.849 0.000 2 1528 160 164 PRO HG2 H 1.988 0.000 1 1529 160 164 PRO HG3 H 1.988 0.000 1 1530 160 164 PRO C C 176.641 0.008 1 1531 160 164 PRO CA C 62.990 0.029 1 1532 160 164 PRO CB C 32.096 0.013 1 1533 160 164 PRO CG C 27.363 0.000 1 1534 160 164 PRO CD C 50.671 0.000 1 1535 160 164 PRO N N 136.761 0.078 1 1536 161 165 GLN H H 8.445 0.003 1 1537 161 165 GLN HA H 4.577 0.000 1 1538 161 165 GLN C C 173.637 0.010 1 1539 161 165 GLN CA C 53.488 0.018 1 1540 161 165 GLN CB C 29.086 0.000 1 1541 161 165 GLN N N 121.887 0.032 1 1542 162 166 PRO HA H 4.676 0.001 1 1543 162 166 PRO C C 174.544 0.000 1 1544 162 166 PRO CA C 61.436 0.000 1 1545 162 166 PRO N N 138.602 0.008 1 1546 163 167 PRO HA H 4.439 0.007 1 1547 163 167 PRO HB2 H 2.264 0.000 2 1548 163 167 PRO HB3 H 1.877 0.000 2 1549 163 167 PRO HG2 H 1.997 0.000 2 1550 163 167 PRO HG3 H 1.997 0.000 2 1551 163 167 PRO HD2 H 3.770 0.000 2 1552 163 167 PRO HD3 H 3.621 0.000 2 1553 163 167 PRO C C 176.663 0.011 1 1554 163 167 PRO CA C 62.863 0.052 1 1555 163 167 PRO CB C 32.047 0.008 1 1556 163 167 PRO CG C 27.420 0.000 1 1557 163 167 PRO CD C 50.518 0.000 1 1558 163 167 PRO N N 135.154 0.018 1 1559 164 168 SER H H 8.380 0.003 1 1560 164 168 SER HA H 4.726 0.001 1 1561 164 168 SER HB2 H 3.844 0.000 1 1562 164 168 SER HB3 H 3.844 0.000 1 1563 164 168 SER C C 172.875 0.011 1 1564 164 168 SER CA C 56.388 0.047 1 1565 164 168 SER CB C 63.395 0.000 1 1566 164 168 SER N N 117.434 0.038 1 1567 165 169 PRO HA H 4.426 0.006 1 1568 165 169 PRO HB2 H 2.263 0.000 2 1569 165 169 PRO HB3 H 1.901 0.000 2 1570 165 169 PRO HG2 H 2.021 0.000 2 1571 165 169 PRO HG3 H 2.021 0.000 2 1572 165 169 PRO C C 176.886 0.011 1 1573 165 169 PRO CA C 63.396 0.036 1 1574 165 169 PRO CB C 32.114 0.020 1 1575 165 169 PRO CG C 27.352 0.000 1 1576 165 169 PRO CD C 50.892 0.000 1 1577 165 169 PRO N N 137.904 0.042 1 1578 166 170 ARG H H 8.362 0.003 1 1579 166 170 ARG HA H 4.287 0.005 1 1580 166 170 ARG HB2 H 1.750 0.004 2 1581 166 170 ARG HB3 H 1.830 0.001 2 1582 166 170 ARG HG2 H 1.612 0.007 2 1583 166 170 ARG HG3 H 1.620 0.000 2 1584 166 170 ARG HD2 H 3.178 0.000 1 1585 166 170 ARG C C 176.225 0.011 1 1586 166 170 ARG CA C 56.265 0.049 1 1587 166 170 ARG CB C 30.818 0.087 1 1588 166 170 ARG CG C 27.046 0.026 1 1589 166 170 ARG CD C 43.396 0.010 1 1590 166 170 ARG N N 121.181 0.043 1 1591 167 171 GLU H H 8.385 0.003 1 1592 167 171 GLU HA H 4.350 0.005 1 1593 167 171 GLU HB2 H 2.065 0.000 2 1594 167 171 GLU HB3 H 1.928 0.000 2 1595 167 171 GLU HG2 H 2.257 0.000 2 1596 167 171 GLU HG3 H 2.257 0.000 2 1597 167 171 GLU C C 176.344 0.011 1 1598 167 171 GLU CA C 56.368 0.049 1 1599 167 171 GLU CB C 30.577 0.024 1 1600 167 171 GLU CG C 36.116 0.000 1 1601 167 171 GLU N N 121.914 0.036 1 1602 168 172 GLY H H 8.195 0.003 1 1603 168 172 GLY HA2 H 4.042 0.005 2 1604 168 172 GLY HA3 H 4.111 0.002 2 1605 168 172 GLY C C 171.366 0.017 1 1606 168 172 GLY CA C 44.530 0.058 1 1607 168 172 GLY N N 110.152 0.038 1 1608 169 173 PRO HA H 4.418 0.005 1 1609 169 173 PRO HB2 H 2.227 0.000 2 1610 169 173 PRO HB3 H 1.882 0.000 2 1611 169 173 PRO HG2 H 1.973 0.000 2 1612 169 173 PRO HG3 H 1.973 0.000 2 1613 169 173 PRO HD2 H 3.590 0.000 2 1614 169 173 PRO HD3 H 3.580 0.000 2 1615 169 173 PRO C C 176.945 0.012 1 1616 169 173 PRO CA C 62.807 0.027 1 1617 169 173 PRO CB C 32.189 0.028 1 1618 169 173 PRO CG C 27.144 0.000 1 1619 169 173 PRO CD C 49.781 0.063 1 1620 169 173 PRO N N 133.666 0.026 1 1621 170 174 LEU H H 8.353 0.003 1 1622 170 174 LEU HA H 4.560 0.000 1 1623 170 174 LEU HB2 H 1.562 0.000 1 1624 170 174 LEU HB3 H 1.562 0.000 1 1625 170 174 LEU C C 175.384 0.000 1 1626 170 174 LEU CA C 53.169 0.027 1 1627 170 174 LEU CB C 41.698 0.000 1 1628 170 174 LEU N N 123.755 0.055 1 1629 171 175 PRO HA H 4.360 0.006 1 1630 171 175 PRO HB2 H 2.259 0.000 2 1631 171 175 PRO HB3 H 1.874 0.000 2 1632 171 175 PRO HG2 H 1.992 0.000 1 1633 171 175 PRO HG3 H 1.992 0.000 1 1634 171 175 PRO HD2 H 3.831 0.000 2 1635 171 175 PRO HD3 H 3.627 0.013 2 1636 171 175 PRO C C 176.562 0.010 1 1637 171 175 PRO CA C 63.104 0.027 1 1638 171 175 PRO CB C 32.029 0.025 1 1639 171 175 PRO CG C 27.419 0.000 1 1640 171 175 PRO CD C 50.620 0.043 1 1641 171 175 PRO N N 136.307 0.008 1 1642 172 176 ALA H H 8.275 0.003 1 1643 172 176 ALA HA H 4.244 0.005 1 1644 172 176 ALA HB H 1.355 0.004 1 1645 172 176 ALA C C 177.382 0.012 1 1646 172 176 ALA CA C 52.294 0.025 1 1647 172 176 ALA CB C 19.290 0.015 1 1648 172 176 ALA N N 124.044 0.048 1 1649 173 177 ALA H H 8.223 0.004 1 1650 173 177 ALA HA H 4.281 0.005 1 1651 173 177 ALA HB H 1.340 0.000 1 1652 173 177 ALA C C 177.360 0.013 1 1653 173 177 ALA CA C 52.214 0.028 1 1654 173 177 ALA CB C 19.313 0.005 1 1655 173 177 ALA N N 123.439 0.038 1 1656 174 178 ARG H H 8.263 0.003 1 1657 174 178 ARG HA H 4.588 0.002 1 1658 174 178 ARG HB2 H 1.699 0.000 2 1659 174 178 ARG HB3 H 1.798 0.000 2 1660 174 178 ARG C C 174.127 0.006 1 1661 174 178 ARG CA C 53.781 0.040 1 1662 174 178 ARG CB C 30.249 0.000 1 1663 174 178 ARG N N 121.554 0.037 1 1664 175 179 PRO HA H 4.387 0.005 1 1665 175 179 PRO HB2 H 2.279 0.000 2 1666 175 179 PRO HB3 H 1.888 0.000 2 1667 175 179 PRO HG2 H 1.994 0.000 1 1668 175 179 PRO HG3 H 1.995 0.000 1 1669 175 179 PRO HD2 H 3.767 0.000 2 1670 175 179 PRO HD3 H 3.572 0.000 2 1671 175 179 PRO C C 176.666 0.010 1 1672 175 179 PRO CA C 63.049 0.034 1 1673 175 179 PRO CB C 32.106 0.015 1 1674 175 179 PRO CG C 27.438 0.000 1 1675 175 179 PRO CD C 50.744 0.000 1 1676 175 179 PRO N N 137.335 0.027 1 1677 176 180 ALA H H 8.467 0.003 1 1678 176 180 ALA HA H 4.270 0.005 1 1679 176 180 ALA HB H 1.383 0.000 1 1680 176 180 ALA C C 178.419 0.010 1 1681 176 180 ALA CA C 52.786 0.023 1 1682 176 180 ALA CB C 19.191 0.031 1 1683 176 180 ALA N N 124.766 0.034 1 1684 177 181 GLY H H 8.373 0.004 1 1685 177 181 GLY HA2 H 3.925 0.008 2 1686 177 181 GLY HA3 H 3.927 0.000 2 1687 177 181 GLY C C 173.928 0.013 1 1688 177 181 GLY CA C 45.250 0.036 1 1689 177 181 GLY N N 108.273 0.047 1 1690 178 182 ALA H H 8.114 0.006 1 1691 178 182 ALA HA H 4.369 0.004 1 1692 178 182 ALA HB H 1.372 0.000 1 1693 178 182 ALA C C 177.935 0.008 1 1694 178 182 ALA CA C 52.553 0.038 1 1695 178 182 ALA CB C 19.411 0.053 1 1696 178 182 ALA N N 123.702 0.061 1 1697 179 183 THR H H 8.153 0.003 1 1698 179 183 THR HA H 4.303 0.002 1 1699 179 183 THR HB H 4.160 0.021 1 1700 179 183 THR HG2 H 1.156 0.027 1 1701 179 183 THR C C 174.365 0.013 1 1702 179 183 THR CA C 61.912 0.033 1 1703 179 183 THR CB C 69.852 0.021 1 1704 179 183 THR CG2 C 21.669 0.056 1 1705 179 183 THR N N 113.836 0.042 1 1706 180 184 LEU H H 8.233 0.003 1 1707 180 184 LEU HA H 4.341 0.005 1 1708 180 184 LEU HB2 H 1.582 0.000 1 1709 180 184 LEU HB3 H 1.583 0.000 1 1710 180 184 LEU HG H 1.582 0.000 1 1711 180 184 LEU HD1 H 0.852 0.000 2 1712 180 184 LEU HD2 H 0.870 0.000 2 1713 180 184 LEU C C 177.048 0.006 1 1714 180 184 LEU CA C 55.162 0.053 1 1715 180 184 LEU CB C 42.477 0.004 1 1716 180 184 LEU CG C 27.043 0.000 1 1717 180 184 LEU CD1 C 24.750 0.000 2 1718 180 184 LEU CD2 C 23.551 0.000 2 1719 180 184 LEU N N 124.684 0.070 1 1720 181 185 GLU H H 8.329 0.003 1 1721 181 185 GLU HA H 4.257 0.009 1 1722 181 185 GLU HB2 H 1.895 0.003 2 1723 181 185 GLU HB3 H 1.979 0.000 2 1724 181 185 GLU HG2 H 2.215 0.000 2 1725 181 185 GLU HG3 H 2.233 0.000 2 1726 181 185 GLU C C 176.003 0.007 1 1727 181 185 GLU CA C 56.304 0.029 1 1728 181 185 GLU CB C 30.421 0.040 1 1729 181 185 GLU CG C 36.045 0.000 1 1730 181 185 GLU N N 122.267 0.049 1 1731 182 186 ARG H H 8.358 0.003 1 1732 182 186 ARG HA H 4.577 0.000 1 1733 182 186 ARG HB2 H 1.814 0.000 2 1734 182 186 ARG HB3 H 1.705 0.000 2 1735 182 186 ARG C C 174.035 0.030 1 1736 182 186 ARG CA C 53.999 0.056 1 1737 182 186 ARG CB C 30.209 0.000 1 1738 182 186 ARG N N 123.676 0.058 1 1739 183 187 PRO HA H 4.413 0.006 1 1740 183 187 PRO HB2 H 2.289 0.000 2 1741 183 187 PRO HB3 H 1.861 0.000 2 1742 183 187 PRO HG2 H 1.989 0.000 2 1743 183 187 PRO HG3 H 1.989 0.000 2 1744 183 187 PRO C C 176.873 0.016 1 1745 183 187 PRO CA C 63.078 0.024 1 1746 183 187 PRO CB C 32.210 0.029 1 1747 183 187 PRO CG C 27.433 0.000 1 1748 183 187 PRO CD C 50.759 0.000 1 1749 183 187 PRO N N 136.953 0.091 1 1750 184 188 LYS H H 8.497 0.003 1 1751 184 188 LYS HA H 4.312 0.006 1 1752 184 188 LYS HB2 H 1.813 0.000 2 1753 184 188 LYS HB3 H 1.744 0.000 2 1754 184 188 LYS HG2 H 1.439 0.000 2 1755 184 188 LYS HG3 H 1.474 0.000 2 1756 184 188 LYS HD2 H 1.685 0.000 1 1757 184 188 LYS C C 176.773 0.017 1 1758 184 188 LYS CA C 56.503 0.034 1 1759 184 188 LYS CB C 33.021 0.020 1 1760 184 188 LYS CG C 24.893 0.000 1 1761 184 188 LYS CD C 29.119 0.000 1 1762 184 188 LYS N N 121.936 0.033 1 1763 185 189 THR H H 8.080 0.003 1 1764 185 189 THR HA H 4.303 0.003 1 1765 185 189 THR HB H 4.140 0.000 1 1766 185 189 THR HG2 H 1.163 0.000 1 1767 185 189 THR C C 174.099 0.010 1 1768 185 189 THR CA C 61.681 0.044 1 1769 185 189 THR CB C 69.918 0.044 1 1770 185 189 THR CG2 C 21.780 0.000 1 1771 185 189 THR N N 115.312 0.044 1 1772 186 190 LEU H H 8.311 0.004 1 1773 186 190 LEU HA H 4.405 0.005 1 1774 186 190 LEU HB2 H 1.563 0.000 2 1775 186 190 LEU HB3 H 1.616 0.000 2 1776 186 190 LEU HG H 1.584 0.000 1 1777 186 190 LEU HD1 H 0.841 0.000 2 1778 186 190 LEU HD2 H 0.861 0.000 2 1779 186 190 LEU C C 176.912 0.004 1 1780 186 190 LEU CA C 54.912 0.024 1 1781 186 190 LEU CB C 42.562 0.012 1 1782 186 190 LEU CG C 26.975 0.000 1 1783 186 190 LEU CD1 C 24.796 0.000 2 1784 186 190 LEU CD2 C 23.436 0.000 2 1785 186 190 LEU N N 125.060 0.038 1 1786 187 191 SER H H 8.352 0.003 1 1787 187 191 SER HA H 4.735 0.003 1 1788 187 191 SER HB2 H 3.794 0.000 2 1789 187 191 SER HB3 H 3.842 0.000 2 1790 187 191 SER C C 172.680 0.000 1 1791 187 191 SER CA C 56.246 0.009 1 1792 187 191 SER CB C 63.416 0.000 1 1793 187 191 SER N N 118.224 0.046 1 1794 188 192 PRO HA H 4.408 0.003 1 1795 188 192 PRO HB2 H 2.245 0.000 2 1796 188 192 PRO HB3 H 1.936 0.000 2 1797 188 192 PRO HG2 H 1.997 0.000 2 1798 188 192 PRO HG3 H 1.995 0.000 2 1799 188 192 PRO HD2 H 3.977 0.000 1 1800 188 192 PRO C C 177.467 0.010 1 1801 188 192 PRO CA C 63.602 0.012 1 1802 188 192 PRO CB C 32.186 0.017 1 1803 188 192 PRO CG C 27.280 0.000 1 1804 188 192 PRO CD C 50.819 0.000 1 1805 189 193 GLY H H 8.379 0.003 1 1806 189 193 GLY HA2 H 3.939 0.002 2 1807 189 193 GLY HA3 H 3.937 0.000 2 1808 189 193 GLY C C 174.251 0.013 1 1809 189 193 GLY CA C 45.264 0.046 1 1810 189 193 GLY N N 108.994 0.061 1 1811 190 194 LYS H H 8.206 0.003 1 1812 190 194 LYS HA H 4.309 0.005 1 1813 190 194 LYS HB2 H 1.824 0.000 2 1814 190 194 LYS HB3 H 1.732 0.000 2 1815 190 194 LYS HG2 H 1.386 0.000 2 1816 190 194 LYS HG3 H 1.385 0.000 2 1817 190 194 LYS HD2 H 1.647 0.000 1 1818 190 194 LYS C C 176.562 0.011 1 1819 190 194 LYS CA C 56.460 0.033 1 1820 190 194 LYS CB C 32.953 0.021 1 1821 190 194 LYS CG C 24.722 0.000 1 1822 190 194 LYS CD C 29.080 0.000 1 1823 190 194 LYS N N 120.857 0.056 1 1824 191 195 ASN H H 8.501 0.003 1 1825 191 195 ASN HA H 4.692 0.005 1 1826 191 195 ASN HB2 H 2.840 0.000 2 1827 191 195 ASN HB3 H 2.754 0.000 2 1828 191 195 ASN C C 175.519 0.006 1 1829 191 195 ASN CA C 53.448 0.016 1 1830 191 195 ASN CB C 38.962 0.011 1 1831 191 195 ASN N N 119.245 0.034 1 1832 192 196 GLY H H 8.290 0.004 1 1833 192 196 GLY HA2 H 3.921 0.000 1 1834 192 196 GLY HA3 H 3.921 0.000 1 1835 192 196 GLY C C 173.815 0.008 1 1836 192 196 GLY CA C 45.433 0.018 1 1837 192 196 GLY N N 108.979 0.043 1 1838 193 197 VAL H H 7.917 0.004 1 1839 193 197 VAL HA H 4.101 0.004 1 1840 193 197 VAL HB H 2.031 0.000 1 1841 193 197 VAL HG1 H 0.887 0.000 2 1842 193 197 VAL HG2 H 0.887 0.000 2 1843 193 197 VAL C C 176.135 0.009 1 1844 193 197 VAL CA C 62.421 0.042 1 1845 193 197 VAL CB C 32.721 0.013 1 1846 193 197 VAL CG1 C 21.022 0.000 1 1847 193 197 VAL N N 119.703 0.040 1 1848 194 198 VAL H H 8.249 0.003 1 1849 194 198 VAL HA H 4.090 0.004 1 1850 194 198 VAL HB H 2.005 0.000 1 1851 194 198 VAL HG1 H 0.894 0.000 1 1852 194 198 VAL HG2 H 0.893 0.000 1 1853 194 198 VAL C C 175.854 0.008 1 1854 194 198 VAL CA C 62.316 0.066 1 1855 194 198 VAL CB C 32.665 0.059 1 1856 194 198 VAL CG1 C 21.121 0.000 1 1857 194 198 VAL N N 124.913 0.037 1 1858 195 199 LYS H H 8.357 0.004 1 1859 195 199 LYS HA H 4.288 0.002 1 1860 195 199 LYS HB2 H 1.758 0.000 2 1861 195 199 LYS HB3 H 1.695 0.000 2 1862 195 199 LYS HG2 H 1.380 0.000 2 1863 195 199 LYS HG3 H 1.381 0.000 2 1864 195 199 LYS C C 175.856 0.010 1 1865 195 199 LYS CA C 56.262 0.022 1 1866 195 199 LYS CB C 33.319 0.028 1 1867 195 199 LYS CG C 24.750 0.000 1 1868 195 199 LYS CD C 29.073 0.000 1 1869 195 199 LYS CE C 39.075 0.000 1 1870 195 199 LYS N N 125.687 0.067 1 1871 196 200 ASP H H 8.271 0.004 1 1872 196 200 ASP HA H 4.567 0.001 1 1873 196 200 ASP HB2 H 2.558 0.000 2 1874 196 200 ASP HB3 H 2.622 0.000 2 1875 196 200 ASP C C 176.113 0.006 1 1876 196 200 ASP CA C 54.218 0.043 1 1877 196 200 ASP CB C 41.222 0.012 1 1878 196 200 ASP N N 121.881 0.086 1 1879 197 201 VAL H H 7.981 0.003 1 1880 197 201 VAL HA H 3.977 0.005 1 1881 197 201 VAL HB H 1.948 0.000 1 1882 197 201 VAL HG1 H 0.736 0.000 1 1883 197 201 VAL HG2 H 0.736 0.000 1 1884 197 201 VAL C C 175.914 0.011 1 1885 197 201 VAL CA C 62.627 0.049 1 1886 197 201 VAL CB C 32.508 0.031 1 1887 197 201 VAL CG1 C 21.547 0.000 1 1888 197 201 VAL N N 119.670 0.049 1 1889 198 202 PHE H H 8.207 0.004 1 1890 198 202 PHE HA H 4.559 0.004 1 1891 198 202 PHE HB2 H 3.073 0.000 2 1892 198 202 PHE HB3 H 2.923 0.000 2 1893 198 202 PHE C C 175.502 0.016 1 1894 198 202 PHE CA C 57.750 0.046 1 1895 198 202 PHE CB C 39.336 0.030 1 1896 198 202 PHE N N 122.650 0.061 1 1897 199 203 ALA H H 7.955 0.004 1 1898 199 203 ALA HA H 4.229 0.005 1 1899 199 203 ALA HB H 1.223 0.000 1 1900 199 203 ALA C C 177.114 0.012 1 1901 199 203 ALA CA C 52.394 0.013 1 1902 199 203 ALA CB C 19.294 0.020 1 1903 199 203 ALA N N 124.953 0.031 1 1904 200 204 PHE H H 8.081 0.003 1 1905 200 204 PHE HA H 4.553 0.005 1 1906 200 204 PHE HB2 H 3.135 0.000 2 1907 200 204 PHE HB3 H 3.014 0.000 2 1908 200 204 PHE C C 176.400 0.015 1 1909 200 204 PHE CA C 57.937 0.032 1 1910 200 204 PHE CB C 39.462 0.012 1 1911 200 204 PHE N N 119.245 0.050 1 1912 201 205 GLY H H 8.315 0.004 1 1913 201 205 GLY HA2 H 3.875 0.001 2 1914 201 205 GLY HA3 H 3.909 0.000 2 1915 201 205 GLY C C 174.504 0.010 1 1916 201 205 GLY CA C 45.464 0.015 1 1917 201 205 GLY N N 110.856 0.038 1 1918 202 206 GLY H H 7.895 0.004 1 1919 202 206 GLY HA2 H 3.929 0.002 2 1920 202 206 GLY HA3 H 3.926 0.000 2 1921 202 206 GLY C C 173.575 0.014 1 1922 202 206 GLY CA C 45.207 0.051 1 1923 202 206 GLY N N 108.326 0.047 1 1924 203 207 ALA H H 8.115 0.004 1 1925 203 207 ALA HA H 4.328 0.005 1 1926 203 207 ALA HB H 1.337 0.000 1 1927 203 207 ALA C C 177.588 0.011 1 1928 203 207 ALA CA C 52.434 0.052 1 1929 203 207 ALA CB C 19.356 0.018 1 1930 203 207 ALA N N 123.695 0.084 1 1931 204 208 VAL H H 8.029 0.004 1 1932 204 208 VAL HA H 4.056 0.005 1 1933 204 208 VAL HB H 2.017 0.000 1 1934 204 208 VAL HG1 H 0.879 0.000 2 1935 204 208 VAL HG2 H 0.889 0.000 2 1936 204 208 VAL C C 176.011 0.007 1 1937 204 208 VAL CA C 62.199 0.033 1 1938 204 208 VAL CB C 32.889 0.022 1 1939 204 208 VAL CG1 C 21.085 0.000 2 1940 204 208 VAL CG2 C 20.651 0.000 2 1941 204 208 VAL N N 118.911 0.039 1 1942 205 209 GLU H H 8.401 0.004 1 1943 205 209 GLU HA H 4.230 0.005 1 1944 205 209 GLU HB2 H 1.961 0.000 2 1945 205 209 GLU HB3 H 1.871 0.000 2 1946 205 209 GLU HG2 H 2.204 0.000 1 1947 205 209 GLU HG3 H 2.204 0.000 1 1948 205 209 GLU C C 175.664 0.006 1 1949 205 209 GLU CA C 56.474 0.026 1 1950 205 209 GLU CB C 30.339 0.005 1 1951 205 209 GLU CG C 35.948 0.000 1 1952 205 209 GLU N N 124.084 0.040 1 1953 206 210 ASN H H 8.383 0.003 1 1954 206 210 ASN HA H 4.921 0.002 1 1955 206 210 ASN HB2 H 2.630 0.000 2 1956 206 210 ASN HB3 H 2.750 0.000 2 1957 206 210 ASN C C 173.350 0.013 1 1958 206 210 ASN CA C 51.215 0.030 1 1959 206 210 ASN CB C 39.038 0.000 1 1960 206 210 ASN N N 120.271 0.051 1 1961 207 211 PRO HA H 4.331 0.005 1 1962 207 211 PRO HB2 H 2.230 0.000 2 1963 207 211 PRO HB3 H 1.845 0.000 2 1964 207 211 PRO HG2 H 1.965 0.000 1 1965 207 211 PRO HG3 H 1.966 0.000 1 1966 207 211 PRO HD2 H 3.710 0.000 1 1967 207 211 PRO C C 177.052 0.008 1 1968 207 211 PRO CA C 63.673 0.039 1 1969 207 211 PRO CB C 32.096 0.006 1 1970 207 211 PRO CG C 27.163 0.000 1 1971 207 211 PRO CD C 50.808 0.000 1 1972 207 211 PRO N N 136.644 0.024 1 1973 208 212 GLU H H 8.402 0.004 1 1974 208 212 GLU HA H 4.148 0.007 1 1975 208 212 GLU HB2 H 1.905 0.000 2 1976 208 212 GLU HB3 H 1.844 0.000 2 1977 208 212 GLU HG2 H 2.204 0.000 2 1978 208 212 GLU HG3 H 2.101 0.000 2 1979 208 212 GLU C C 176.342 0.016 1 1980 208 212 GLU CA C 56.986 0.043 1 1981 208 212 GLU CB C 29.868 0.042 1 1982 208 212 GLU CG C 35.978 0.000 1 1983 208 212 GLU N N 119.728 0.045 1 1984 209 213 TYR H H 7.883 0.004 1 1985 209 213 TYR HA H 4.558 0.004 1 1986 209 213 TYR HB2 H 3.068 0.000 2 1987 209 213 TYR HB3 H 2.926 0.000 2 1988 209 213 TYR C C 175.425 0.015 1 1989 209 213 TYR CA C 57.609 0.030 1 1990 209 213 TYR CB C 38.507 0.043 1 1991 209 213 TYR N N 119.618 0.031 1 1992 210 214 LEU H H 7.924 0.004 1 1993 210 214 LEU HA H 4.373 0.005 1 1994 210 214 LEU HB2 H 1.570 0.000 2 1995 210 214 LEU HB3 H 1.515 0.000 2 1996 210 214 LEU HG H 1.486 0.000 1 1997 210 214 LEU HD1 H 0.824 0.000 2 1998 210 214 LEU HD2 H 0.835 0.000 2 1999 210 214 LEU C C 176.850 0.018 1 2000 210 214 LEU CA C 54.852 0.035 1 2001 210 214 LEU CB C 42.631 0.009 1 2002 210 214 LEU CG C 26.753 0.000 1 2003 210 214 LEU CD1 C 24.808 0.000 2 2004 210 214 LEU CD2 C 23.392 0.000 2 2005 210 214 LEU N N 123.161 0.037 1 2006 211 215 THR H H 8.047 0.003 1 2007 211 215 THR HA H 4.537 0.003 1 2008 211 215 THR HB H 4.162 0.003 1 2009 211 215 THR C C 172.987 0.015 1 2010 211 215 THR CA C 59.865 0.046 1 2011 211 215 THR CB C 69.624 0.024 1 2012 211 215 THR N N 116.790 0.051 1 2013 212 216 PRO HA H 4.382 0.005 1 2014 212 216 PRO HB2 H 2.290 0.000 2 2015 212 216 PRO HB3 H 1.890 0.000 2 2016 212 216 PRO HG2 H 1.967 0.000 2 2017 212 216 PRO HG3 H 1.966 0.000 2 2018 212 216 PRO HD2 H 3.699 0.000 1 2019 212 216 PRO C C 177.156 0.014 1 2020 212 216 PRO CA C 63.431 0.029 1 2021 212 216 PRO CB C 32.045 0.057 1 2022 212 216 PRO CG C 27.470 0.000 1 2023 212 216 PRO CD C 51.005 0.000 1 2024 212 216 PRO N N 138.763 0.024 1 2025 213 217 GLN H H 8.490 0.004 1 2026 213 217 GLN HA H 4.289 0.004 1 2027 213 217 GLN HB2 H 2.108 0.000 2 2028 213 217 GLN HB3 H 1.961 0.000 2 2029 213 217 GLN HG2 H 2.365 0.000 2 2030 213 217 GLN HG3 H 2.366 0.000 2 2031 213 217 GLN C C 176.720 0.014 1 2032 213 217 GLN CA C 56.087 0.049 1 2033 213 217 GLN CB C 29.394 0.013 1 2034 213 217 GLN CG C 33.882 0.000 1 2035 213 217 GLN N N 120.450 0.046 1 2036 214 218 GLY H H 8.425 0.004 1 2037 214 218 GLY HA2 H 3.933 0.001 2 2038 214 218 GLY HA3 H 3.964 0.000 2 2039 214 218 GLY C C 174.623 0.010 1 2040 214 218 GLY CA C 45.477 0.034 1 2041 214 218 GLY N N 110.271 0.040 1 2042 215 219 GLY H H 8.213 0.004 1 2043 215 219 GLY HA2 H 3.910 0.000 1 2044 215 219 GLY HA3 H 3.910 0.000 1 2045 215 219 GLY C C 173.572 0.008 1 2046 215 219 GLY CA C 45.090 0.043 1 2047 215 219 GLY N N 108.811 0.052 1 2048 216 220 ALA H H 8.113 0.003 1 2049 216 220 ALA HA H 4.327 0.006 1 2050 216 220 ALA HB H 1.339 0.000 1 2051 216 220 ALA C C 177.068 0.011 1 2052 216 220 ALA CA C 52.082 0.051 1 2053 216 220 ALA CB C 19.531 0.017 1 2054 216 220 ALA N N 123.538 0.055 1 2055 217 221 ALA H H 8.253 0.003 1 2056 217 221 ALA HA H 4.539 0.001 1 2057 217 221 ALA HB H 1.331 0.000 1 2058 217 221 ALA C C 175.463 0.025 1 2059 217 221 ALA CA C 50.420 0.022 1 2060 217 221 ALA CB C 18.133 0.000 1 2061 217 221 ALA N N 124.881 0.044 1 2062 218 222 PRO HA H 4.419 0.006 1 2063 218 222 PRO HB2 H 2.248 0.000 2 2064 218 222 PRO HB3 H 1.869 0.000 2 2065 218 222 PRO HG2 H 1.981 0.000 1 2066 218 222 PRO HG3 H 1.982 0.000 1 2067 218 222 PRO HD2 H 3.611 0.000 2 2068 218 222 PRO HD3 H 3.771 0.000 2 2069 218 222 PRO C C 176.635 0.015 1 2070 218 222 PRO CA C 63.116 0.009 1 2071 218 222 PRO CB C 32.089 0.015 1 2072 218 222 PRO CG C 27.342 0.000 1 2073 218 222 PRO CD C 50.536 0.132 1 2074 218 222 PRO N N 135.637 0.072 5 2075 219 223 GLN H H 8.408 0.004 1 2076 219 223 GLN HA H 4.577 0.003 1 2077 219 223 GLN HB2 H 1.950 0.000 2 2078 219 223 GLN HB3 H 2.083 0.000 2 2079 219 223 GLN C C 174.046 0.000 1 2080 219 223 GLN CA C 53.563 0.042 1 2081 219 223 GLN CB C 29.094 0.000 1 2082 219 223 GLN N N 121.688 0.031 1 2083 220 224 PRO HA H 4.344 0.006 1 2084 220 224 PRO HB2 H 2.204 0.000 2 2085 220 224 PRO HB3 H 1.761 0.000 2 2086 220 224 PRO HG2 H 1.939 0.000 2 2087 220 224 PRO HG3 H 1.939 0.000 2 2088 220 224 PRO C C 176.365 0.003 1 2089 220 224 PRO CA C 63.065 0.021 1 2090 220 224 PRO CB C 32.157 0.013 1 2091 220 224 PRO CG C 27.301 0.000 1 2092 221 225 HIS H H 8.454 0.004 1 2093 221 225 HIS HA H 4.935 0.002 1 2094 221 225 HIS HB2 H 3.099 0.000 2 2095 221 225 HIS HB3 H 3.171 0.000 2 2096 221 225 HIS C C 172.048 0.000 1 2097 221 225 HIS CA C 53.178 0.022 1 2098 221 225 HIS CB C 28.784 0.000 1 2099 221 225 HIS N N 118.933 0.057 1 2100 222 226 PRO HA H 4.654 0.001 1 2101 222 226 PRO HD2 H 3.507 0.000 1 2102 222 226 PRO CA C 61.569 0.000 1 2103 222 226 PRO CD C 50.363 0.000 1 2104 222 226 PRO N N 138.367 0.010 1 2105 223 227 PRO HA H 4.605 0.001 1 2106 223 227 PRO CA C 61.299 0.012 1 2107 223 227 PRO N N 136.769 0.007 1 2108 224 228 PRO HA H 4.338 0.006 1 2109 224 228 PRO HB2 H 2.197 0.000 2 2110 224 228 PRO HB3 H 1.775 0.000 2 2111 224 228 PRO HG2 H 1.953 0.000 2 2112 224 228 PRO HG3 H 1.953 0.000 2 2113 224 228 PRO C C 176.478 0.010 1 2114 224 228 PRO CA C 62.952 0.021 1 2115 224 228 PRO CB C 31.995 0.027 1 2116 224 228 PRO CG C 27.365 0.000 1 2117 224 228 PRO CD C 50.438 0.000 1 2118 224 228 PRO N N 135.380 0.000 1 2119 225 229 ALA H H 8.253 0.004 1 2120 225 229 ALA HA H 4.192 0.001 1 2121 225 229 ALA HB H 1.264 0.000 1 2122 225 229 ALA C C 177.194 0.010 1 2123 225 229 ALA CA C 52.396 0.032 1 2124 225 229 ALA CB C 19.299 0.026 1 2125 225 229 ALA N N 123.574 0.039 1 2126 226 230 PHE H H 8.072 0.004 1 2127 226 230 PHE HA H 4.572 0.005 1 2128 226 230 PHE HB2 H 3.015 0.000 1 2129 226 230 PHE HB3 H 3.016 0.000 1 2130 226 230 PHE C C 175.149 0.003 1 2131 226 230 PHE CA C 57.536 0.056 1 2132 226 230 PHE CB C 39.809 0.031 1 2133 226 230 PHE N N 118.889 0.062 1 2134 227 231 SER H H 8.072 0.003 1 2135 227 231 SER HA H 4.677 0.003 1 2136 227 231 SER HB2 H 3.732 0.000 1 2137 227 231 SER HB3 H 3.732 0.000 1 2138 227 231 SER C C 172.350 0.025 1 2139 227 231 SER CA C 55.753 0.014 1 2140 227 231 SER CB C 63.796 0.000 1 2141 227 231 SER N N 119.219 0.041 1 2142 228 232 PRO HA H 4.290 0.005 1 2143 228 232 PRO HB2 H 2.177 0.000 2 2144 228 232 PRO HB3 H 1.772 0.000 2 2145 228 232 PRO HG2 H 1.912 0.000 2 2146 228 232 PRO HG3 H 1.910 0.000 2 2147 228 232 PRO HD2 H 3.611 0.000 1 2148 228 232 PRO C C 176.364 0.024 1 2149 228 232 PRO CA C 63.327 0.037 1 2150 228 232 PRO CB C 32.001 0.016 1 2151 228 232 PRO CG C 27.234 0.000 1 2152 228 232 PRO CD C 50.849 0.000 1 2153 228 232 PRO N N 137.709 0.031 1 2154 229 233 ALA H H 8.119 0.003 1 2155 229 233 ALA HA H 4.187 0.004 1 2156 229 233 ALA HB H 1.227 0.000 1 2157 229 233 ALA C C 177.521 0.017 1 2158 229 233 ALA CA C 52.523 0.023 1 2159 229 233 ALA CB C 19.218 0.033 1 2160 229 233 ALA N N 122.889 0.050 1 2161 230 234 PHE H H 7.960 0.004 1 2162 230 234 PHE HA H 4.524 0.006 1 2163 230 234 PHE HB2 H 3.128 0.000 2 2164 230 234 PHE HB3 H 2.960 0.000 2 2165 230 234 PHE C C 175.443 0.010 1 2166 230 234 PHE CA C 57.735 0.032 1 2167 230 234 PHE CB C 39.536 0.021 1 2168 230 234 PHE N N 118.366 0.036 1 2169 231 235 ASP H H 8.153 0.004 1 2170 231 235 ASP HA H 4.533 0.001 1 2171 231 235 ASP HB2 H 2.608 0.000 2 2172 231 235 ASP HB3 H 2.635 0.000 2 2173 231 235 ASP C C 175.781 0.010 1 2174 231 235 ASP CA C 54.339 0.044 1 2175 231 235 ASP CB C 41.104 0.024 1 2176 231 235 ASP N N 120.782 0.062 1 2177 232 236 ASN H H 8.147 0.004 1 2178 232 236 ASN HA H 4.575 0.003 1 2179 232 236 ASN HB2 H 2.703 0.000 2 2180 232 236 ASN HB3 H 2.751 0.000 2 2181 232 236 ASN C C 174.988 0.009 1 2182 232 236 ASN CA C 53.559 0.026 1 2183 232 236 ASN CB C 38.778 0.006 1 2184 232 236 ASN N N 118.203 0.044 1 2185 233 237 LEU H H 8.009 0.004 1 2186 233 237 LEU HA H 4.163 0.000 1 2187 233 237 LEU HB2 H 1.284 0.000 2 2188 233 237 LEU HB3 H 1.458 0.000 2 2189 233 237 LEU HG H 1.436 0.000 1 2190 233 237 LEU HD1 H 0.801 0.000 2 2191 233 237 LEU HD2 H 0.750 0.000 2 2192 233 237 LEU C C 176.872 0.003 1 2193 233 237 LEU CA C 55.709 0.052 1 2194 233 237 LEU CB C 42.224 0.004 1 2195 233 237 LEU CG C 26.705 0.000 1 2196 233 237 LEU CD1 C 24.932 0.000 2 2197 233 237 LEU CD2 C 23.558 0.000 2 2198 233 237 LEU N N 121.315 0.041 1 2199 234 238 TYR H H 7.937 0.004 1 2200 234 238 TYR HA H 4.382 0.007 1 2201 234 238 TYR HB2 H 2.698 0.000 2 2202 234 238 TYR HB3 H 2.714 0.000 2 2203 234 238 TYR C C 175.462 0.009 1 2204 234 238 TYR CA C 57.838 0.014 1 2205 234 238 TYR CB C 38.711 0.011 1 2206 234 238 TYR N N 119.459 0.052 1 2207 235 239 TYR H H 7.769 0.004 1 2208 235 239 TYR HA H 4.377 0.000 1 2209 235 239 TYR HB2 H 2.782 0.000 2 2210 235 239 TYR HB3 H 2.820 0.000 2 2211 235 239 TYR C C 175.279 0.019 1 2212 235 239 TYR CA C 58.105 0.041 1 2213 235 239 TYR CB C 38.752 0.040 1 2214 235 239 TYR N N 120.753 0.049 1 2215 236 240 TRP H H 7.713 0.004 1 2216 236 240 TRP HA H 4.555 0.004 1 2217 236 240 TRP HB2 H 3.245 0.000 2 2218 236 240 TRP HB3 H 3.134 0.000 2 2219 236 240 TRP HE1 H 10.071 0.003 1 2220 236 240 TRP C C 175.580 0.012 1 2221 236 240 TRP CA C 57.236 0.024 1 2222 236 240 TRP CB C 29.614 0.052 1 2223 236 240 TRP N N 121.571 0.049 1 2224 236 240 TRP NE1 N 129.501 0.016 1 2225 237 241 ASP H H 8.020 0.004 1 2226 237 241 ASP HA H 4.493 0.001 1 2227 237 241 ASP HB2 H 2.473 0.000 2 2228 237 241 ASP HB3 H 2.522 0.000 2 2229 237 241 ASP C C 175.637 0.002 1 2230 237 241 ASP CA C 54.227 0.035 1 2231 237 241 ASP CB C 40.823 0.037 1 2232 237 241 ASP N N 121.308 0.042 1 2233 238 242 GLN H H 7.832 0.004 1 2234 238 242 GLN HA H 4.232 0.005 1 2235 238 242 GLN HB2 H 1.822 0.003 2 2236 238 242 GLN HB3 H 2.045 0.002 2 2237 238 242 GLN C C 175.284 0.018 1 2238 238 242 GLN CA C 55.473 0.015 1 2239 238 242 GLN CB C 29.986 0.027 1 2240 238 242 GLN CG C 33.726 0.000 1 2241 238 242 GLN N N 119.202 0.048 1 2242 239 243 ASP H H 8.346 0.003 1 2243 239 243 ASP HA H 4.831 0.000 1 2244 239 243 ASP HB2 H 2.466 0.000 2 2245 239 243 ASP HB3 H 2.648 0.000 2 2246 239 243 ASP C C 173.365 0.010 1 2247 239 243 ASP CA C 52.878 0.035 1 2248 239 243 ASP CB C 40.342 0.000 1 2249 239 243 ASP N N 122.158 0.046 1 2250 240 244 PRO N N 136.609 0.000 1 2251 241 245 PRO HA H 4.352 0.004 1 2252 241 245 PRO HB2 H 2.218 0.000 2 2253 241 245 PRO HB3 H 1.848 0.000 2 2254 241 245 PRO HG2 H 1.936 0.000 2 2255 241 245 PRO HG3 H 1.936 0.000 2 2256 241 245 PRO C C 177.037 0.004 1 2257 241 245 PRO CA C 63.188 0.057 1 2258 241 245 PRO CB C 31.969 0.035 1 2259 241 245 PRO CG C 27.318 0.000 1 2260 242 246 GLU H H 8.440 0.004 1 2261 242 246 GLU HA H 4.215 0.003 1 2262 242 246 GLU HB2 H 2.011 0.000 2 2263 242 246 GLU HB3 H 1.927 0.000 2 2264 242 246 GLU HG2 H 2.249 0.000 1 2265 242 246 GLU HG3 H 2.249 0.000 1 2266 242 246 GLU C C 176.579 0.006 1 2267 242 246 GLU CA C 56.690 0.027 1 2268 242 246 GLU CB C 29.970 0.010 1 2269 242 246 GLU CG C 35.969 0.000 1 2270 242 246 GLU N N 120.313 0.045 1 2271 243 247 ARG H H 8.328 0.005 1 2272 243 247 ARG HA H 4.286 0.000 1 2273 243 247 ARG HB2 H 1.843 0.000 2 2274 243 247 ARG HB3 H 1.745 0.008 2 2275 243 247 ARG HG2 H 1.598 0.000 1 2276 243 247 ARG HG3 H 1.597 0.000 1 2277 243 247 ARG HD2 H 3.140 0.000 1 2278 243 247 ARG HD3 H 3.141 0.000 1 2279 243 247 ARG C C 176.715 0.008 1 2280 243 247 ARG CA C 56.428 0.044 1 2281 243 247 ARG CB C 30.768 0.045 1 2282 243 247 ARG CG C 27.122 0.000 1 2283 243 247 ARG CD C 43.451 0.000 1 2284 243 247 ARG N N 122.067 0.046 1 2285 244 248 GLY H H 8.387 0.004 1 2286 244 248 GLY HA2 H 3.901 0.001 2 2287 244 248 GLY HA3 H 3.919 0.000 2 2288 244 248 GLY C C 173.261 0.015 1 2289 244 248 GLY CA C 45.030 0.052 1 2290 244 248 GLY N N 110.093 0.040 1 2291 245 249 ALA H H 8.071 0.004 1 2292 245 249 ALA HA H 4.580 0.001 1 2293 245 249 ALA HB H 1.334 0.011 1 2294 245 249 ALA C C 175.062 0.010 1 2295 245 249 ALA CA C 50.406 0.019 1 2296 245 249 ALA CB C 18.263 0.000 1 2297 245 249 ALA N N 124.742 0.046 1 2298 246 250 PRO HA H 4.664 0.000 1 2299 246 250 PRO CA C 61.411 0.009 1 2300 246 250 PRO N N 136.891 0.035 1 2301 247 251 PRO HA H 4.404 0.006 1 2302 247 251 PRO HB2 H 2.278 0.000 2 2303 247 251 PRO HB3 H 1.902 0.000 2 2304 247 251 PRO HG2 H 1.997 0.000 1 2305 247 251 PRO HG3 H 1.997 0.000 1 2306 247 251 PRO C C 177.070 0.006 1 2307 247 251 PRO CA C 63.130 0.053 1 2308 247 251 PRO CB C 32.100 0.010 1 2309 247 251 PRO CG C 27.433 0.000 1 2310 247 251 PRO CD C 50.555 0.000 1 2311 247 251 PRO N N 135.310 0.003 1 2312 248 252 SER H H 8.417 0.005 1 2313 248 252 SER HA H 4.428 0.000 1 2314 248 252 SER HB2 H 3.884 0.000 2 2315 248 252 SER HB3 H 3.817 0.000 2 2316 248 252 SER C C 174.899 0.018 1 2317 248 252 SER CA C 58.507 0.043 1 2318 248 252 SER CB C 63.773 0.067 1 2319 248 252 SER N N 115.751 0.049 1 2320 249 253 THR H H 8.042 0.004 1 2321 249 253 THR HA H 4.288 0.002 1 2322 249 253 THR HB H 4.157 0.003 1 2323 249 253 THR HG2 H 1.117 0.000 1 2324 249 253 THR C C 174.176 0.015 1 2325 249 253 THR CA C 61.910 0.031 1 2326 249 253 THR CB C 69.863 0.021 1 2327 249 253 THR CG2 C 21.528 0.000 1 2328 249 253 THR N N 115.082 0.054 1 2329 250 254 PHE H H 8.207 0.004 1 2330 250 254 PHE HA H 4.585 0.006 1 2331 250 254 PHE HB2 H 3.037 0.000 1 2332 250 254 PHE HB3 H 3.037 0.000 1 2333 250 254 PHE C C 175.518 0.006 1 2334 250 254 PHE CA C 57.914 0.078 1 2335 250 254 PHE CB C 39.554 0.057 1 2336 250 254 PHE N N 122.760 0.042 1 2337 251 255 LYS H H 8.229 0.004 1 2338 251 255 LYS HA H 4.251 0.005 1 2339 251 255 LYS HB2 H 1.767 0.000 2 2340 251 255 LYS HB3 H 1.626 0.000 2 2341 251 255 LYS HG2 H 1.326 0.000 1 2342 251 255 LYS HG3 H 1.326 0.000 1 2343 251 255 LYS C C 176.353 0.013 1 2344 251 255 LYS CA C 56.131 0.037 1 2345 251 255 LYS CB C 33.007 0.023 1 2346 251 255 LYS CG C 24.597 0.000 1 2347 251 255 LYS CD C 29.088 0.000 1 2348 251 255 LYS N N 124.499 0.061 1 2349 252 256 GLY H H 7.700 0.004 1 2350 252 256 GLY HA2 H 3.879 0.005 2 2351 252 256 GLY HA3 H 3.872 0.000 2 2352 252 256 GLY C C 173.557 0.014 1 2353 252 256 GLY CA C 45.055 0.060 1 2354 252 256 GLY N N 109.225 0.045 1 2355 253 257 THR H H 8.073 0.004 1 2356 253 257 THR HA H 4.605 0.001 1 2357 253 257 THR HB H 4.141 0.000 1 2358 253 257 THR C C 172.974 0.019 1 2359 253 257 THR CA C 59.807 0.055 1 2360 253 257 THR CB C 69.873 0.000 1 2361 253 257 THR N N 116.295 0.046 1 2362 254 258 PRO HA H 4.463 0.005 1 2363 254 258 PRO HB2 H 2.256 0.000 2 2364 254 258 PRO HB3 H 1.904 0.000 2 2365 254 258 PRO HG2 H 1.997 0.000 1 2366 254 258 PRO HG3 H 1.996 0.000 1 2367 254 258 PRO C C 177.032 0.014 1 2368 254 258 PRO CA C 63.428 0.035 1 2369 254 258 PRO CB C 32.143 0.008 1 2370 254 258 PRO CG C 27.447 0.000 1 2371 254 258 PRO CD C 51.237 0.000 1 2372 254 258 PRO N N 138.988 0.032 1 2373 255 259 THR H H 8.160 0.004 1 2374 255 259 THR HA H 4.278 0.003 1 2375 255 259 THR HB H 4.207 0.006 1 2376 255 259 THR HG2 H 1.189 0.000 1 2377 255 259 THR C C 174.356 0.014 1 2378 255 259 THR CA C 61.854 0.080 1 2379 255 259 THR CB C 70.063 0.023 1 2380 255 259 THR CG2 C 21.666 0.000 1 2381 255 259 THR N N 114.587 0.042 1 2382 256 260 ALA H H 8.278 0.003 1 2383 256 260 ALA HA H 4.258 0.005 1 2384 256 260 ALA HB H 1.350 0.000 1 2385 256 260 ALA C C 177.497 0.005 1 2386 256 260 ALA CA C 52.662 0.013 1 2387 256 260 ALA CB C 19.284 0.022 1 2388 256 260 ALA N N 125.800 0.036 1 2389 257 261 GLU H H 8.278 0.004 1 2390 257 261 GLU HA H 4.219 0.006 1 2391 257 261 GLU HB2 H 1.997 0.000 2 2392 257 261 GLU HB3 H 1.869 0.000 2 2393 257 261 GLU HG2 H 2.224 0.000 1 2394 257 261 GLU HG3 H 2.225 0.000 1 2395 257 261 GLU C C 175.835 0.009 1 2396 257 261 GLU CA C 56.501 0.025 1 2397 257 261 GLU CB C 30.238 0.014 1 2398 257 261 GLU CG C 36.014 0.000 1 2399 257 261 GLU N N 119.393 0.035 1 2400 258 262 ASN H H 8.320 0.003 1 2401 258 262 ASN HA H 4.950 0.002 1 2402 258 262 ASN HB2 H 2.803 0.000 1 2403 258 262 ASN C C 173.415 0.021 1 2404 258 262 ASN CA C 51.249 0.021 1 2405 258 262 ASN CB C 39.031 0.000 1 2406 258 262 ASN N N 120.054 0.039 1 2407 259 263 PRO HA H 4.757 0.000 1 2408 259 263 PRO HB2 H 2.338 0.000 2 2409 259 263 PRO HB3 H 2.115 0.000 2 2410 259 263 PRO C C 176.025 0.000 1 2411 259 263 PRO CA C 62.845 0.068 1 2412 259 263 PRO CB C 34.379 0.017 1 2413 259 263 PRO CG C 24.764 0.000 1 2414 259 263 PRO N N 136.829 0.042 1 2415 260 264 GLU H H 8.466 0.005 1 2416 260 264 GLU HA H 4.155 0.007 1 2417 260 264 GLU HB2 H 1.853 0.000 2 2418 260 264 GLU HB3 H 1.920 0.000 2 2419 260 264 GLU HG2 H 2.208 0.000 2 2420 260 264 GLU HG3 H 2.117 0.000 2 2421 260 264 GLU C C 176.383 0.007 1 2422 260 264 GLU CA C 57.005 0.021 1 2423 260 264 GLU CB C 29.889 0.040 1 2424 260 264 GLU CG C 35.963 0.000 1 2425 260 264 GLU N N 122.829 0.072 1 2426 261 265 TYR H H 7.983 0.003 1 2427 261 265 TYR HA H 4.546 0.006 1 2428 261 265 TYR HB2 H 3.052 0.000 2 2429 261 265 TYR HB3 H 2.961 0.000 2 2430 261 265 TYR C C 175.687 0.013 1 2431 261 265 TYR CA C 57.776 0.056 1 2432 261 265 TYR CB C 38.479 0.028 1 2433 261 265 TYR N N 120.250 0.048 1 2434 262 266 LEU H H 7.997 0.004 1 2435 262 266 LEU HA H 4.274 0.004 1 2436 262 266 LEU HB2 H 1.532 0.000 2 2437 262 266 LEU HB3 H 1.577 0.000 2 2438 262 266 LEU HG H 1.535 0.000 1 2439 262 266 LEU HD1 H 0.843 0.000 2 2440 262 266 LEU HD2 H 0.844 0.000 2 2441 262 266 LEU C C 177.471 0.010 1 2442 262 266 LEU CA C 55.232 0.077 1 2443 262 266 LEU CB C 42.500 0.003 1 2444 262 266 LEU CG C 26.767 0.000 1 2445 262 266 LEU CD1 C 24.852 0.000 2 2446 262 266 LEU CD2 C 23.201 0.000 2 2447 262 266 LEU N N 123.989 0.056 1 2448 263 267 GLY H H 7.754 0.004 1 2449 263 267 GLY HA2 H 3.851 0.002 2 2450 263 267 GLY HA3 H 3.849 0.000 2 2451 263 267 GLY C C 173.876 0.017 1 2452 263 267 GLY CA C 45.481 0.034 1 2453 263 267 GLY N N 108.470 0.044 1 2454 264 268 LEU H H 7.970 0.005 1 2455 264 268 LEU HA H 4.347 0.010 1 2456 264 268 LEU HB2 H 1.570 0.000 2 2457 264 268 LEU HB3 H 1.604 0.000 2 2458 264 268 LEU HG H 1.576 0.000 1 2459 264 268 LEU HD1 H 0.857 0.008 2 2460 264 268 LEU HD2 H 0.865 0.000 2 2461 264 268 LEU C C 176.995 0.010 1 2462 264 268 LEU CA C 55.042 0.049 1 2463 264 268 LEU CB C 42.595 0.105 1 2464 264 268 LEU CG C 26.864 0.000 1 2465 264 268 LEU CD1 C 24.898 0.000 2 2466 264 268 LEU CD2 C 23.292 0.000 2 2467 264 268 LEU N N 120.840 0.039 1 2468 265 269 ASP H H 8.403 0.004 1 2469 265 269 ASP HA H 4.591 0.005 1 2470 265 269 ASP HB2 H 2.663 0.004 2 2471 265 269 ASP HB3 H 2.561 0.004 2 2472 265 269 ASP C C 175.533 0.014 1 2473 265 269 ASP CA C 54.237 0.108 1 2474 265 269 ASP CB C 40.884 0.004 1 2475 265 269 ASP N N 121.002 0.055 1 2476 266 270 VAL H H 7.881 0.004 1 2477 266 270 VAL HA H 4.373 0.001 1 2478 266 270 VAL HB H 2.036 0.000 1 2479 266 270 VAL C C 174.248 0.011 1 2480 266 270 VAL CA C 59.740 0.039 1 2481 266 270 VAL CB C 32.729 0.000 1 2482 266 270 VAL N N 121.350 0.046 1 2483 267 271 PRO HA H 4.427 0.005 1 2484 267 271 PRO HB2 H 2.234 0.000 2 2485 267 271 PRO HB3 H 1.909 0.000 2 2486 267 271 PRO HG2 H 2.014 0.000 2 2487 267 271 PRO HG3 H 2.013 0.000 2 2488 267 271 PRO HD2 H 3.634 0.003 2 2489 267 271 PRO HD3 H 3.799 0.003 2 2490 267 271 PRO C C 176.118 0.012 1 2491 267 271 PRO CA C 63.352 0.033 1 2492 267 271 PRO CB C 31.973 0.025 1 2493 267 271 PRO CG C 27.329 0.000 1 2494 267 271 PRO CD C 51.049 0.079 1 2495 267 271 PRO N N 139.383 0.017 1 2496 268 272 VAL H H 7.727 0.003 1 2497 268 272 VAL HA H 4.003 0.000 1 2498 268 272 VAL HB H 2.058 0.000 1 2499 268 272 VAL C C 173.186 0.000 1 2500 268 272 VAL CA C 63.630 0.043 1 2501 268 272 VAL CB C 33.202 0.000 1 2502 268 272 VAL N N 124.281 0.047 1 stop_ loop_ _Atom_shift_assign_ID_ambiguity 144 '512,1168,2074' stop_ save_