data_27989 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side-chain chemical shift assignments of the ribosome-inactivating protein trichobakin (TBK) in solution ; _BMRB_accession_number 27989 _BMRB_flat_file_name bmr27989.str _Entry_type original _Submission_date 2019-07-30 _Accession_date 2019-07-30 _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 Britikov Vladimir V. . 2 Britikova Elena V. . 3 Bocharov Eduard V. . 4 Urban Anatoly S. . 5 Lesovoy Dmitry M. . 6 Le 'Thi Bich Thao' . . 7 Phan 'Van Chi' . . 8 Usanov Sergey A. . 9 Arseniev Alexander S. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1288 "13C chemical shifts" 995 "15N chemical shifts" 247 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-03-31 update BMRB 'update entry citation' 2019-11-25 original author 'original release' stop_ _Original_release_date 2019-07-30 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone and side-chain chemical shift assignments for the ribosome-inactivating protein trichobakin (TBK) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31734904 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Britikov Vladimir V. . 2 Britikova Elena V. . 3 Urban Anatoly S. . 4 Lesovoy Dmitry M. . 5 Le 'Thi Bich Thao' . . 6 'Van Phan' Chi . . 7 Usanov Sergey A. . 8 Arseniev Alexander S. . 9 Bocharov Eduard V. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 14 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 55 _Page_last 61 _Year 2020 _Details . loop_ _Keyword 'NMR assignments' 'RIP type 1' n-glycosylation 'sarcin-ricin loop' trichobakin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name trichobakin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label trichobakin $trichobakin stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_trichobakin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common trichobakin _Molecular_mass . _Mol_thiol_state 'not present' loop_ _Biological_function 'type I ribosome inactivating protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 247 _Mol_residue_sequence ; DVSFRLSGATSSSYGVFISN LRKALPYERKLYDIPLLRST LPGSQRYALIHLTNYADETI SVAIDVTNVYVMGYRAGDTS YFFNEASATEAAKYVFKDAK RKVTLPYSGNYERLQIAAGK IRENIPLGLPALDSAITTLF YYNANSAASALMVLIQSTSE AARYKFIEQQIGKRVDKTFL PSLAIISLENSWSALSKQIQ IASTNNGQFETPVVLINAQN QRVTITNVDAGVVTSNIALL PNRNNMA ; loop_ _Residue_seq_code _Residue_label 1 ASP 2 VAL 3 SER 4 PHE 5 ARG 6 LEU 7 SER 8 GLY 9 ALA 10 THR 11 SER 12 SER 13 SER 14 TYR 15 GLY 16 VAL 17 PHE 18 ILE 19 SER 20 ASN 21 LEU 22 ARG 23 LYS 24 ALA 25 LEU 26 PRO 27 TYR 28 GLU 29 ARG 30 LYS 31 LEU 32 TYR 33 ASP 34 ILE 35 PRO 36 LEU 37 LEU 38 ARG 39 SER 40 THR 41 LEU 42 PRO 43 GLY 44 SER 45 GLN 46 ARG 47 TYR 48 ALA 49 LEU 50 ILE 51 HIS 52 LEU 53 THR 54 ASN 55 TYR 56 ALA 57 ASP 58 GLU 59 THR 60 ILE 61 SER 62 VAL 63 ALA 64 ILE 65 ASP 66 VAL 67 THR 68 ASN 69 VAL 70 TYR 71 VAL 72 MET 73 GLY 74 TYR 75 ARG 76 ALA 77 GLY 78 ASP 79 THR 80 SER 81 TYR 82 PHE 83 PHE 84 ASN 85 GLU 86 ALA 87 SER 88 ALA 89 THR 90 GLU 91 ALA 92 ALA 93 LYS 94 TYR 95 VAL 96 PHE 97 LYS 98 ASP 99 ALA 100 LYS 101 ARG 102 LYS 103 VAL 104 THR 105 LEU 106 PRO 107 TYR 108 SER 109 GLY 110 ASN 111 TYR 112 GLU 113 ARG 114 LEU 115 GLN 116 ILE 117 ALA 118 ALA 119 GLY 120 LYS 121 ILE 122 ARG 123 GLU 124 ASN 125 ILE 126 PRO 127 LEU 128 GLY 129 LEU 130 PRO 131 ALA 132 LEU 133 ASP 134 SER 135 ALA 136 ILE 137 THR 138 THR 139 LEU 140 PHE 141 TYR 142 TYR 143 ASN 144 ALA 145 ASN 146 SER 147 ALA 148 ALA 149 SER 150 ALA 151 LEU 152 MET 153 VAL 154 LEU 155 ILE 156 GLN 157 SER 158 THR 159 SER 160 GLU 161 ALA 162 ALA 163 ARG 164 TYR 165 LYS 166 PHE 167 ILE 168 GLU 169 GLN 170 GLN 171 ILE 172 GLY 173 LYS 174 ARG 175 VAL 176 ASP 177 LYS 178 THR 179 PHE 180 LEU 181 PRO 182 SER 183 LEU 184 ALA 185 ILE 186 ILE 187 SER 188 LEU 189 GLU 190 ASN 191 SER 192 TRP 193 SER 194 ALA 195 LEU 196 SER 197 LYS 198 GLN 199 ILE 200 GLN 201 ILE 202 ALA 203 SER 204 THR 205 ASN 206 ASN 207 GLY 208 GLN 209 PHE 210 GLU 211 THR 212 PRO 213 VAL 214 VAL 215 LEU 216 ILE 217 ASN 218 ALA 219 GLN 220 ASN 221 GLN 222 ARG 223 VAL 224 THR 225 ILE 226 THR 227 ASN 228 VAL 229 ASP 230 ALA 231 GLY 232 VAL 233 VAL 234 THR 235 SER 236 ASN 237 ILE 238 ALA 239 LEU 240 LEU 241 PRO 242 ASN 243 ARG 244 ASN 245 ASN 246 MET 247 ALA 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 Q9LRE3 Trichobakin . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $trichobakin 'Trichosanthes sp. Bac Kan 8-98' 118182 Eukaryota Viridiplantae Trichosanthes 'sp. Bac Kan 8-98' 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 $trichobakin 'recombinant technology' . Escherichia coli BL21 pET-21d(+) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $trichobakin 0.8 mM '[U-100% 13C; U-100% 15N]' 'potassium phosphate buffer' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.4.2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNHA_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HNHB_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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' 0.05 . M pH 6.5 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio TSP C 13 'methyl carbons' ppm 0.00 internal direct . . . 0.251449530 TSP H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 TSP N 15 'methyl protons' ppm 0.00 internal indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D HNHA' '3D HNHB' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D H(CCO)NH' '3D HN(CA)CO' 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 trichobakin _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 1 1 ASP CA C 53.912 0.030 1 2 1 1 ASP CB C 42.962 0.030 1 3 2 2 VAL H H 8.782 0.003 1 4 2 2 VAL HA H 4.551 0.004 1 5 2 2 VAL HB H 2.183 0.002 1 6 2 2 VAL HG1 H 1.137 0.006 2 7 2 2 VAL HG2 H 0.962 0.003 2 8 2 2 VAL C C 175.894 0.030 1 9 2 2 VAL CA C 61.780 0.012 1 10 2 2 VAL CB C 34.772 0.030 1 11 2 2 VAL CG1 C 22.837 0.030 2 12 2 2 VAL CG2 C 21.499 0.030 2 13 2 2 VAL N N 120.875 0.050 1 14 3 3 SER H H 8.713 0.004 1 15 3 3 SER HA H 5.891 0.005 1 16 3 3 SER HB2 H 3.903 0.015 2 17 3 3 SER HB3 H 3.857 0.005 2 18 3 3 SER C C 174.583 0.010 1 19 3 3 SER CA C 57.503 0.016 1 20 3 3 SER CB C 66.756 0.030 1 21 3 3 SER N N 119.033 0.061 1 22 4 4 PHE H H 8.700 0.003 1 23 4 4 PHE HA H 4.849 0.003 1 24 4 4 PHE HB2 H 1.760 0.006 2 25 4 4 PHE HB3 H 1.810 0.002 2 26 4 4 PHE HD1 H 6.915 0.002 3 27 4 4 PHE HD2 H 6.915 0.002 3 28 4 4 PHE HE1 H 6.915 0.002 3 29 4 4 PHE HE2 H 6.915 0.002 3 30 4 4 PHE HZ H 6.915 0.002 1 31 4 4 PHE C C 172.762 0.017 1 32 4 4 PHE CA C 56.442 0.004 1 33 4 4 PHE CB C 41.518 0.030 1 34 4 4 PHE N N 121.236 0.020 1 35 5 5 ARG H H 7.533 0.003 1 36 5 5 ARG HA H 4.419 0.004 1 37 5 5 ARG HB2 H 1.503 0.003 2 38 5 5 ARG HB3 H 1.789 0.012 2 39 5 5 ARG HG2 H 1.425 0.002 2 40 5 5 ARG HG3 H 1.551 0.001 2 41 5 5 ARG HD2 H 3.225 0.001 2 42 5 5 ARG HD3 H 3.131 0.001 2 43 5 5 ARG C C 172.753 0.030 1 44 5 5 ARG CA C 54.224 0.025 1 45 5 5 ARG CB C 31.366 0.001 1 46 5 5 ARG CG C 27.360 0.002 1 47 5 5 ARG CD C 43.452 0.001 1 48 5 5 ARG N N 126.554 0.020 1 49 6 6 LEU H H 7.990 0.003 1 50 6 6 LEU HA H 3.580 0.006 1 51 6 6 LEU HB2 H 1.376 0.002 2 52 6 6 LEU HB3 H 1.348 0.002 2 53 6 6 LEU HG H 1.483 0.002 1 54 6 6 LEU HD1 H 0.743 0.004 2 55 6 6 LEU HD2 H 0.742 0.002 2 56 6 6 LEU C C 174.006 0.013 1 57 6 6 LEU CA C 55.567 0.040 1 58 6 6 LEU CB C 40.462 0.002 1 59 6 6 LEU CG C 29.316 0.030 1 60 6 6 LEU CD1 C 25.119 0.030 1 61 6 6 LEU CD2 C 25.119 0.030 1 62 6 6 LEU N N 123.201 0.021 1 63 7 7 SER H H 8.603 0.006 1 64 7 7 SER HA H 4.228 0.003 1 65 7 7 SER HB2 H 3.891 0.005 2 66 7 7 SER HB3 H 3.824 0.002 2 67 7 7 SER C C 178.557 0.015 1 68 7 7 SER CA C 60.068 0.024 1 69 7 7 SER CB C 62.618 0.002 1 70 7 7 SER N N 114.748 0.038 1 71 8 8 GLY H H 9.180 0.005 1 72 8 8 GLY HA2 H 3.780 0.003 2 73 8 8 GLY HA3 H 4.105 0.002 2 74 8 8 GLY C C 176.257 0.001 1 75 8 8 GLY CA C 45.556 0.013 1 76 8 8 GLY N N 117.785 0.032 1 77 9 9 ALA H H 7.945 0.006 1 78 9 9 ALA HA H 4.327 0.007 1 79 9 9 ALA HB H 1.686 0.005 1 80 9 9 ALA C C 174.429 0.030 1 81 9 9 ALA CA C 53.401 0.003 1 82 9 9 ALA CB C 20.084 0.018 1 83 9 9 ALA N N 122.322 0.091 1 84 10 10 THR H H 8.699 0.004 1 85 10 10 THR HA H 4.791 0.009 1 86 10 10 THR HB H 4.885 0.001 1 87 10 10 THR HG2 H 1.404 0.002 1 88 10 10 THR C C 177.535 0.018 1 89 10 10 THR CA C 59.098 0.012 1 90 10 10 THR CB C 73.745 0.030 1 91 10 10 THR CG2 C 21.573 0.001 1 92 10 10 THR N N 109.708 0.014 1 93 11 11 SER H H 9.113 0.007 1 94 11 11 SER HA H 4.458 0.003 1 95 11 11 SER HB2 H 3.970 0.002 2 96 11 11 SER HB3 H 3.871 0.002 2 97 11 11 SER C C 174.994 0.019 1 98 11 11 SER CA C 62.503 0.030 1 99 11 11 SER N N 117.225 0.062 1 100 12 12 SER HA H 3.990 0.005 1 101 12 12 SER HB2 H 4.457 0.002 1 102 12 12 SER HB3 H 4.457 0.002 1 103 12 12 SER CA C 61.178 0.030 1 104 12 12 SER CB C 62.505 0.030 1 105 13 13 SER H H 8.753 0.004 1 106 13 13 SER HA H 4.468 0.002 1 107 13 13 SER HB2 H 4.257 0.002 1 108 13 13 SER HB3 H 4.257 0.002 1 109 13 13 SER C C 177.238 0.030 1 110 13 13 SER CA C 62.129 0.001 1 111 13 13 SER N N 122.149 0.017 1 112 14 14 TYR H H 8.682 0.006 1 113 14 14 TYR HA H 4.240 0.010 1 114 14 14 TYR HB2 H 3.189 0.002 1 115 14 14 TYR HB3 H 3.189 0.002 1 116 14 14 TYR HD1 H 7.212 0.003 3 117 14 14 TYR HD2 H 7.212 0.003 3 118 14 14 TYR HE1 H 6.833 0.001 3 119 14 14 TYR HE2 H 6.833 0.001 3 120 14 14 TYR C C 178.552 0.030 1 121 14 14 TYR CA C 62.380 0.030 1 122 14 14 TYR CB C 37.982 0.030 1 123 14 14 TYR CD1 C 128.374 0.030 3 124 14 14 TYR CD2 C 128.374 0.030 3 125 14 14 TYR CE1 C 113.440 0.030 3 126 14 14 TYR CE2 C 113.440 0.030 3 127 14 14 TYR N N 127.436 0.042 1 128 15 15 GLY H H 8.016 0.003 1 129 15 15 GLY HA2 H 3.944 0.022 2 130 15 15 GLY HA3 H 3.953 0.023 2 131 15 15 GLY C C 176.446 0.030 1 132 15 15 GLY CA C 47.548 0.030 1 133 15 15 GLY N N 106.361 0.017 1 134 16 16 VAL H H 8.309 0.005 1 135 16 16 VAL HA H 3.673 0.008 1 136 16 16 VAL HB H 2.232 0.005 1 137 16 16 VAL HG1 H 1.072 0.002 2 138 16 16 VAL HG2 H 1.148 0.002 2 139 16 16 VAL C C 177.228 0.030 1 140 16 16 VAL CA C 66.856 0.030 1 141 16 16 VAL CB C 32.065 0.030 1 142 16 16 VAL CG1 C 21.408 0.030 2 143 16 16 VAL CG2 C 23.085 0.030 2 144 16 16 VAL N N 124.126 0.034 1 145 17 17 PHE H H 7.565 0.004 1 146 17 17 PHE HA H 4.730 0.002 1 147 17 17 PHE HB2 H 3.420 0.007 1 148 17 17 PHE HB3 H 3.420 0.007 1 149 17 17 PHE HD1 H 6.863 0.002 3 150 17 17 PHE HD2 H 6.863 0.002 3 151 17 17 PHE HE1 H 6.863 0.002 3 152 17 17 PHE HE2 H 6.863 0.002 3 153 17 17 PHE HZ H 6.863 0.002 1 154 17 17 PHE C C 177.672 0.030 1 155 17 17 PHE CA C 59.250 0.004 1 156 17 17 PHE CB C 38.349 0.030 1 157 17 17 PHE N N 121.204 0.035 1 158 18 18 ILE H H 7.991 0.006 1 159 18 18 ILE HA H 2.961 0.002 1 160 18 18 ILE HB H 1.656 0.005 1 161 18 18 ILE HG12 H 0.689 0.002 2 162 18 18 ILE HG13 H 0.446 0.001 2 163 18 18 ILE HG2 H 0.351 0.010 1 164 18 18 ILE HD1 H 0.037 0.006 1 165 18 18 ILE C C 176.261 0.030 1 166 18 18 ILE CA C 60.734 0.030 1 167 18 18 ILE CB C 33.698 0.030 1 168 18 18 ILE CG1 C 26.208 0.030 1 169 18 18 ILE CG2 C 17.425 0.030 1 170 18 18 ILE CD1 C 7.872 0.030 1 171 18 18 ILE N N 119.204 0.041 1 172 19 19 SER H H 8.439 0.002 1 173 19 19 SER HA H 4.092 0.005 1 174 19 19 SER HB2 H 4.019 0.005 1 175 19 19 SER HB3 H 4.019 0.005 1 176 19 19 SER C C 178.652 0.030 1 177 19 19 SER CA C 62.376 0.030 1 178 19 19 SER CB C 63.478 0.030 1 179 19 19 SER N N 115.779 0.024 1 180 20 20 ASN H H 8.665 0.003 1 181 20 20 ASN HA H 4.487 0.003 1 182 20 20 ASN HB2 H 3.304 0.004 2 183 20 20 ASN HB3 H 2.766 0.004 2 184 20 20 ASN C C 177.422 0.030 1 185 20 20 ASN CA C 55.636 0.030 1 186 20 20 ASN CB C 37.536 0.002 1 187 20 20 ASN N N 121.296 0.042 1 188 21 21 LEU H H 8.651 0.004 1 189 21 21 LEU HA H 3.936 0.002 1 190 21 21 LEU HB2 H 1.754 0.001 2 191 21 21 LEU HB3 H 1.025 0.001 2 192 21 21 LEU HG H 1.278 0.003 1 193 21 21 LEU HD1 H 0.674 0.005 2 194 21 21 LEU HD2 H 0.512 0.003 2 195 21 21 LEU C C 177.705 0.030 1 196 21 21 LEU CA C 58.987 0.017 1 197 21 21 LEU CB C 41.278 0.001 1 198 21 21 LEU CG C 28.029 0.030 1 199 21 21 LEU CD1 C 23.709 0.030 2 200 21 21 LEU CD2 C 25.116 0.030 2 201 21 21 LEU N N 124.431 0.017 1 202 22 22 ARG H H 8.162 0.004 1 203 22 22 ARG HA H 3.787 0.003 1 204 22 22 ARG HB2 H 1.964 0.002 2 205 22 22 ARG HB3 H 1.885 0.002 2 206 22 22 ARG HG2 H 1.450 0.002 1 207 22 22 ARG HD2 H 3.153 0.004 1 208 22 22 ARG HD3 H 3.153 0.004 1 209 22 22 ARG C C 177.707 0.030 1 210 22 22 ARG CA C 60.683 0.013 1 211 22 22 ARG CB C 30.522 0.004 1 212 22 22 ARG CG C 29.769 0.012 1 213 22 22 ARG CD C 44.401 0.030 1 214 22 22 ARG N N 114.947 0.040 1 215 23 23 LYS H H 7.932 0.005 1 216 23 23 LYS HA H 4.183 0.008 1 217 23 23 LYS HB2 H 1.949 0.008 1 218 23 23 LYS HB3 H 1.949 0.008 1 219 23 23 LYS HG2 H 1.598 0.002 2 220 23 23 LYS HG3 H 1.698 0.004 2 221 23 23 LYS HD2 H 1.741 0.002 1 222 23 23 LYS HD3 H 1.741 0.002 1 223 23 23 LYS HE2 H 3.034 0.002 1 224 23 23 LYS HE3 H 3.034 0.002 1 225 23 23 LYS C C 179.655 0.030 1 226 23 23 LYS CA C 58.216 0.036 1 227 23 23 LYS CB C 32.856 0.029 1 228 23 23 LYS CG C 25.743 0.019 1 229 23 23 LYS CD C 29.524 0.014 1 230 23 23 LYS CE C 42.271 0.086 1 231 23 23 LYS N N 115.986 0.041 1 232 24 24 ALA H H 7.662 0.003 1 233 24 24 ALA HA H 4.233 0.003 1 234 24 24 ALA HB H 1.493 0.001 1 235 24 24 ALA C C 177.298 0.030 1 236 24 24 ALA CA C 52.967 0.001 1 237 24 24 ALA CB C 18.218 0.030 1 238 24 24 ALA N N 121.970 0.054 1 239 25 25 LEU H H 7.219 0.005 1 240 25 25 LEU HA H 4.647 0.003 1 241 25 25 LEU HB2 H 1.496 0.002 2 242 25 25 LEU HB3 H 1.978 0.002 2 243 25 25 LEU HG H 0.939 0.002 1 244 25 25 LEU HD1 H 2.378 0.006 2 245 25 25 LEU HD2 H 0.778 0.002 2 246 25 25 LEU C C 177.050 0.030 1 247 25 25 LEU CA C 51.857 0.030 1 248 25 25 LEU CB C 39.943 0.001 1 249 25 25 LEU CG C 28.624 0.030 1 250 25 25 LEU CD1 C 25.745 0.030 2 251 25 25 LEU CD2 C 22.360 0.030 2 252 25 25 LEU N N 118.608 0.045 1 253 26 26 PRO HA H 4.474 0.002 1 254 26 26 PRO HB2 H 2.306 0.002 2 255 26 26 PRO HB3 H 1.740 0.002 2 256 26 26 PRO HG2 H 2.091 0.002 2 257 26 26 PRO HG3 H 2.091 0.002 2 258 26 26 PRO HD2 H 4.144 0.002 2 259 26 26 PRO HD3 H 3.559 0.002 2 260 26 26 PRO C C 174.386 0.030 1 261 26 26 PRO CA C 62.642 0.001 1 262 26 26 PRO CB C 32.187 0.030 1 263 26 26 PRO CG C 27.597 0.003 1 264 26 26 PRO CD C 50.263 0.014 1 265 27 27 TYR H H 8.131 0.006 1 266 27 27 TYR HA H 5.280 0.003 1 267 27 27 TYR HB2 H 3.125 0.002 1 268 27 27 TYR HB3 H 3.125 0.002 1 269 27 27 TYR HD1 H 6.880 0.004 3 270 27 27 TYR HD2 H 6.880 0.004 3 271 27 27 TYR C C 175.395 0.030 1 272 27 27 TYR CA C 55.289 0.030 1 273 27 27 TYR CB C 40.268 0.030 1 274 27 27 TYR CD1 C 133.583 0.030 3 275 27 27 TYR CD2 C 133.583 0.030 3 276 27 27 TYR N N 115.062 0.041 1 277 28 28 GLU H H 9.640 0.003 1 278 28 28 GLU HA H 4.189 0.002 1 279 28 28 GLU HB2 H 1.911 0.002 2 280 28 28 GLU HB3 H 2.009 0.002 2 281 28 28 GLU HG2 H 2.338 0.002 2 282 28 28 GLU HG3 H 2.112 0.002 2 283 28 28 GLU C C 175.034 0.030 1 284 28 28 GLU CA C 58.063 0.030 1 285 28 28 GLU CB C 32.583 0.001 1 286 28 28 GLU CG C 36.575 0.001 1 287 28 28 GLU N N 122.152 0.017 1 288 29 29 ARG H H 7.935 0.004 1 289 29 29 ARG HA H 4.747 0.009 1 290 29 29 ARG HB2 H 2.323 0.004 2 291 29 29 ARG HB3 H 1.995 0.006 2 292 29 29 ARG HG2 H 1.176 0.002 2 293 29 29 ARG HG3 H 1.493 0.002 2 294 29 29 ARG HD2 H 3.265 0.002 2 295 29 29 ARG HD3 H 3.122 0.002 2 296 29 29 ARG C C 175.961 0.030 1 297 29 29 ARG CA C 54.176 0.030 1 298 29 29 ARG CB C 30.661 0.001 1 299 29 29 ARG CG C 25.616 0.001 1 300 29 29 ARG CD C 43.318 0.002 1 301 29 29 ARG N N 111.122 0.041 1 302 30 30 LYS H H 8.711 0.005 1 303 30 30 LYS HA H 5.003 0.006 1 304 30 30 LYS HB2 H 1.126 0.003 2 305 30 30 LYS HB3 H 1.701 0.003 2 306 30 30 LYS HG2 H 0.597 0.002 2 307 30 30 LYS HG3 H 1.275 0.002 2 308 30 30 LYS HD2 H 1.306 0.001 2 309 30 30 LYS HD3 H 1.468 0.002 2 310 30 30 LYS HE2 H 2.481 0.001 2 311 30 30 LYS HE3 H 2.648 0.010 2 312 30 30 LYS C C 172.993 0.030 1 313 30 30 LYS CA C 55.400 0.030 1 314 30 30 LYS CB C 35.335 0.001 1 315 30 30 LYS CG C 25.797 0.005 1 316 30 30 LYS CD C 29.464 0.002 1 317 30 30 LYS CE C 42.051 0.003 1 318 30 30 LYS N N 117.518 0.017 1 319 31 31 LEU H H 8.955 0.004 1 320 31 31 LEU HA H 4.417 0.003 1 321 31 31 LEU HB2 H 1.430 0.007 2 322 31 31 LEU HB3 H 1.335 0.004 2 323 31 31 LEU HG H 1.475 0.004 1 324 31 31 LEU HD1 H 0.865 0.005 2 325 31 31 LEU HD2 H 0.883 0.002 2 326 31 31 LEU C C 175.717 0.030 1 327 31 31 LEU CA C 53.671 0.030 1 328 31 31 LEU CB C 44.547 0.001 1 329 31 31 LEU CG C 27.205 0.030 1 330 31 31 LEU CD1 C 26.049 0.030 2 331 31 31 LEU CD2 C 25.054 0.030 2 332 31 31 LEU N N 124.239 0.017 1 333 32 32 TYR H H 8.662 0.004 1 334 32 32 TYR HA H 3.989 0.002 1 335 32 32 TYR HB2 H 3.167 0.002 2 336 32 32 TYR HB3 H 3.066 0.004 2 337 32 32 TYR HD1 H 6.859 0.001 3 338 32 32 TYR HD2 H 6.859 0.001 3 339 32 32 TYR C C 175.568 0.030 1 340 32 32 TYR CA C 59.640 0.030 1 341 32 32 TYR CB C 34.822 0.002 1 342 32 32 TYR N N 122.171 0.028 1 343 33 33 ASP H H 8.478 0.005 1 344 33 33 ASP HA H 4.067 0.007 1 345 33 33 ASP HB2 H 3.053 0.001 2 346 33 33 ASP HB3 H 2.842 0.001 2 347 33 33 ASP C C 175.660 0.030 1 348 33 33 ASP CA C 56.532 0.030 1 349 33 33 ASP CB C 40.829 0.003 1 350 33 33 ASP N N 108.581 0.035 1 351 34 34 ILE H H 8.323 0.006 1 352 34 34 ILE HA H 4.436 0.003 1 353 34 34 ILE HB H 2.115 0.005 1 354 34 34 ILE HG12 H 1.839 0.001 1 355 34 34 ILE HG2 H 0.797 0.002 1 356 34 34 ILE HD1 H 1.079 0.002 1 357 34 34 ILE C C 174.811 0.030 1 358 34 34 ILE CA C 58.865 0.030 1 359 34 34 ILE CB C 40.553 0.030 1 360 34 34 ILE CG1 C 26.580 0.030 1 361 34 34 ILE CG2 C 19.131 0.030 1 362 34 34 ILE CD1 C 14.970 0.030 1 363 34 34 ILE N N 124.217 0.057 1 364 35 35 PRO HA H 3.852 0.007 1 365 35 35 PRO HB2 H 1.423 0.002 2 366 35 35 PRO HB3 H 1.756 0.002 2 367 35 35 PRO HG2 H 2.067 0.002 2 368 35 35 PRO HG3 H 1.343 0.002 2 369 35 35 PRO HD2 H 4.049 0.002 2 370 35 35 PRO HD3 H 3.743 0.002 2 371 35 35 PRO C C 177.289 0.030 1 372 35 35 PRO CA C 64.634 0.011 1 373 35 35 PRO CB C 32.285 0.006 1 374 35 35 PRO CG C 28.280 0.030 1 375 35 35 PRO CD C 51.238 0.030 1 376 36 36 LEU H H 8.714 0.004 1 377 36 36 LEU HA H 4.934 0.002 1 378 36 36 LEU HB2 H 1.033 0.001 2 379 36 36 LEU HB3 H 1.979 0.008 2 380 36 36 LEU HG H 0.813 0.006 1 381 36 36 LEU HD1 H 0.707 0.004 2 382 36 36 LEU HD2 H 0.707 0.002 2 383 36 36 LEU C C 173.401 0.030 1 384 36 36 LEU CA C 53.671 0.030 1 385 36 36 LEU CB C 43.845 0.001 1 386 36 36 LEU CG C 26.824 0.030 1 387 36 36 LEU CD1 C 25.134 0.030 1 388 36 36 LEU CD2 C 25.134 0.030 1 389 36 36 LEU N N 126.567 0.020 1 390 37 37 LEU H H 8.968 0.005 1 391 37 37 LEU HA H 4.541 0.002 1 392 37 37 LEU C C 175.341 0.030 1 393 37 37 LEU CA C 55.629 0.030 1 394 37 37 LEU CB C 41.060 0.030 1 395 37 37 LEU N N 126.317 0.043 1 396 38 38 ARG H H 8.649 0.006 1 397 38 38 ARG HA H 4.277 0.007 1 398 38 38 ARG HB2 H 1.720 0.002 1 399 38 38 ARG HB3 H 1.720 0.002 1 400 38 38 ARG HD2 H 3.128 0.002 1 401 38 38 ARG HD3 H 3.128 0.002 1 402 38 38 ARG C C 176.118 0.030 1 403 38 38 ARG CA C 55.764 0.030 1 404 38 38 ARG CB C 29.923 0.030 1 405 38 38 ARG CD C 42.099 0.030 1 406 38 38 ARG N N 116.169 0.081 1 407 39 39 SER H H 8.879 0.005 1 408 39 39 SER HA H 4.195 0.001 1 409 39 39 SER HB2 H 3.889 0.002 2 410 39 39 SER HB3 H 3.822 0.002 2 411 39 39 SER C C 177.664 0.030 1 412 39 39 SER CA C 60.358 0.030 1 413 39 39 SER CB C 63.449 0.001 1 414 39 39 SER N N 115.216 0.025 1 415 40 40 THR H H 7.371 0.004 1 416 40 40 THR HA H 4.428 0.004 1 417 40 40 THR HB H 4.080 0.003 1 418 40 40 THR HG2 H 1.045 0.003 1 419 40 40 THR C C 174.893 0.030 1 420 40 40 THR CA C 60.565 0.030 1 421 40 40 THR CB C 69.852 0.030 1 422 40 40 THR CG2 C 20.283 0.030 1 423 40 40 THR N N 111.970 0.050 1 424 41 41 LEU H H 7.840 0.004 1 425 41 41 LEU HA H 4.667 0.005 1 426 41 41 LEU HB2 H 1.244 0.002 2 427 41 41 LEU HB3 H 0.998 0.001 2 428 41 41 LEU HG H 0.691 0.002 1 429 41 41 LEU HD1 H 0.852 0.003 1 430 41 41 LEU C C 171.990 0.030 1 431 41 41 LEU CA C 52.660 0.030 1 432 41 41 LEU CB C 46.530 0.002 1 433 41 41 LEU CG C 27.258 0.030 1 434 41 41 LEU CD1 C 23.933 0.030 1 435 41 41 LEU N N 125.254 0.015 1 436 42 42 PRO HA H 4.404 0.001 1 437 42 42 PRO HB2 H 2.334 0.004 2 438 42 42 PRO HB3 H 1.843 0.003 2 439 42 42 PRO HG2 H 1.966 0.002 1 440 42 42 PRO HG3 H 1.966 0.002 1 441 42 42 PRO HD2 H 3.721 0.002 2 442 42 42 PRO HD3 H 3.382 0.002 2 443 42 42 PRO C C 173.194 0.030 1 444 42 42 PRO CA C 62.402 0.030 1 445 42 42 PRO CB C 32.197 0.001 1 446 42 42 PRO CG C 27.489 0.030 1 447 42 42 PRO CD C 50.543 0.002 1 448 43 43 GLY H H 8.692 0.003 1 449 43 43 GLY HA2 H 3.090 0.002 2 450 43 43 GLY HA3 H 2.874 0.010 2 451 43 43 GLY C C 177.860 0.030 1 452 43 43 GLY CA C 47.133 0.005 1 453 43 43 GLY N N 110.671 0.012 1 454 44 44 SER H H 8.168 0.006 1 455 44 44 SER HA H 4.082 0.003 1 456 44 44 SER HB2 H 4.024 0.003 1 457 44 44 SER HB3 H 4.024 0.003 1 458 44 44 SER C C 174.611 0.030 1 459 44 44 SER CA C 60.546 0.030 1 460 44 44 SER CB C 62.876 0.030 1 461 44 44 SER N N 112.463 0.039 1 462 45 45 GLN H H 7.815 0.004 1 463 45 45 GLN HA H 4.532 0.006 1 464 45 45 GLN HB2 H 2.297 0.004 2 465 45 45 GLN HB3 H 1.668 0.005 2 466 45 45 GLN HG2 H 2.386 0.002 2 467 45 45 GLN HG3 H 2.299 0.004 2 468 45 45 GLN HE21 H 6.770 0.002 1 469 45 45 GLN HE22 H 7.459 0.001 1 470 45 45 GLN C C 175.511 0.030 1 471 45 45 GLN CA C 55.594 0.030 1 472 45 45 GLN CB C 31.058 0.004 1 473 45 45 GLN CG C 34.138 0.030 1 474 45 45 GLN N N 119.119 0.019 1 475 45 45 GLN NE2 N 110.958 0.036 1 476 46 46 ARG H H 6.917 0.007 1 477 46 46 ARG HA H 3.671 0.003 1 478 46 46 ARG HB2 H 0.774 0.002 2 479 46 46 ARG HB3 H 1.291 0.004 2 480 46 46 ARG HG2 H 1.292 0.004 2 481 46 46 ARG HG3 H 1.143 0.001 2 482 46 46 ARG HD2 H 2.972 0.001 2 483 46 46 ARG HD3 H 2.940 0.002 2 484 46 46 ARG C C 175.039 0.030 1 485 46 46 ARG CA C 56.966 0.030 1 486 46 46 ARG CB C 32.167 0.002 1 487 46 46 ARG CG C 29.004 0.005 1 488 46 46 ARG CD C 43.949 0.001 1 489 46 46 ARG N N 118.504 0.031 1 490 47 47 TYR H H 7.564 0.006 1 491 47 47 TYR HA H 5.904 0.004 1 492 47 47 TYR HB2 H 2.666 0.003 2 493 47 47 TYR HB3 H 2.662 0.002 2 494 47 47 TYR C C 173.185 0.030 1 495 47 47 TYR CA C 55.688 0.030 1 496 47 47 TYR CB C 40.535 0.030 1 497 47 47 TYR N N 114.171 0.042 1 498 48 48 ALA H H 8.929 0.005 1 499 48 48 ALA HA H 4.780 0.003 1 500 48 48 ALA HB H 1.236 0.004 1 501 48 48 ALA C C 175.222 0.030 1 502 48 48 ALA CA C 50.289 0.030 1 503 48 48 ALA CB C 21.400 0.030 1 504 48 48 ALA N N 126.348 0.031 1 505 49 49 LEU H H 8.270 0.004 1 506 49 49 LEU HA H 5.428 0.002 1 507 49 49 LEU HB2 H 1.864 0.002 2 508 49 49 LEU HB3 H 0.869 0.002 2 509 49 49 LEU HG H 1.786 0.002 1 510 49 49 LEU HD1 H 1.120 0.001 2 511 49 49 LEU HD2 H 0.746 0.005 2 512 49 49 LEU C C 175.309 0.030 1 513 49 49 LEU CA C 53.121 0.030 1 514 49 49 LEU CB C 44.346 0.003 1 515 49 49 LEU CG C 27.393 0.030 1 516 49 49 LEU CD1 C 26.047 0.030 2 517 49 49 LEU CD2 C 24.218 0.030 2 518 49 49 LEU N N 118.356 0.018 1 519 50 50 ILE H H 8.976 0.004 1 520 50 50 ILE HA H 5.060 0.007 1 521 50 50 ILE HB H 1.870 0.004 1 522 50 50 ILE HG12 H 1.577 0.004 2 523 50 50 ILE HG13 H 1.123 0.001 2 524 50 50 ILE HG2 H 1.006 0.006 1 525 50 50 ILE HD1 H 0.864 0.002 1 526 50 50 ILE C C 175.807 0.030 1 527 50 50 ILE CA C 58.406 0.030 1 528 50 50 ILE CB C 40.837 0.030 1 529 50 50 ILE CG1 C 27.472 0.003 1 530 50 50 ILE CG2 C 18.767 0.030 1 531 50 50 ILE CD1 C 14.680 0.030 1 532 50 50 ILE N N 118.566 0.036 1 533 51 51 HIS H H 9.124 0.005 1 534 51 51 HIS HA H 5.603 0.009 1 535 51 51 HIS HB2 H 3.161 0.002 2 536 51 51 HIS HB3 H 2.787 0.005 2 537 51 51 HIS HD2 H 6.952 0.002 1 538 51 51 HIS C C 175.607 0.030 1 539 51 51 HIS CA C 55.013 0.030 1 540 51 51 HIS CB C 31.807 0.007 1 541 51 51 HIS N N 126.683 0.017 1 542 52 52 LEU H H 9.403 0.006 1 543 52 52 LEU HA H 5.408 0.013 1 544 52 52 LEU HB2 H 1.777 0.002 2 545 52 52 LEU HB3 H 1.365 0.002 2 546 52 52 LEU HG H 0.864 0.003 1 547 52 52 LEU HD1 H 0.865 0.003 1 548 52 52 LEU C C 175.505 0.030 1 549 52 52 LEU CA C 53.758 0.030 1 550 52 52 LEU CB C 45.809 0.001 1 551 52 52 LEU CG C 27.543 0.030 1 552 52 52 LEU CD1 C 26.204 0.030 1 553 52 52 LEU N N 126.021 0.022 1 554 53 53 THR H H 8.142 0.006 1 555 53 53 THR HA H 5.351 0.005 1 556 53 53 THR HB H 3.694 0.006 1 557 53 53 THR HG2 H 1.368 0.003 1 558 53 53 THR C C 174.739 0.030 1 559 53 53 THR CA C 61.129 0.030 1 560 53 53 THR CB C 71.040 0.030 1 561 53 53 THR CG2 C 22.257 0.030 1 562 53 53 THR N N 118.789 0.061 1 563 54 54 ASN H H 8.788 0.005 1 564 54 54 ASN HA H 4.345 0.006 1 565 54 54 ASN HB2 H 2.543 0.003 2 566 54 54 ASN HB3 H 4.460 0.007 2 567 54 54 ASN HD21 H 8.448 0.002 1 568 54 54 ASN HD22 H 6.826 0.005 1 569 54 54 ASN C C 174.256 0.030 1 570 54 54 ASN CA C 52.298 0.030 1 571 54 54 ASN CB C 38.087 0.003 1 572 54 54 ASN N N 126.282 0.016 1 573 54 54 ASN ND2 N 111.868 0.010 1 574 55 55 TYR H H 9.214 0.004 1 575 55 55 TYR HA H 4.236 0.002 1 576 55 55 TYR HB2 H 3.173 0.002 2 577 55 55 TYR HB3 H 2.930 0.002 2 578 55 55 TYR HD1 H 6.940 0.002 3 579 55 55 TYR HD2 H 6.940 0.002 3 580 55 55 TYR HE1 H 6.785 0.002 3 581 55 55 TYR HE2 H 6.785 0.002 3 582 55 55 TYR C C 177.222 0.030 1 583 55 55 TYR CA C 60.127 0.030 1 584 55 55 TYR CB C 37.311 0.001 1 585 55 55 TYR CD1 C 132.731 0.030 3 586 55 55 TYR CD2 C 132.731 0.030 3 587 55 55 TYR CE1 C 118.095 0.030 3 588 55 55 TYR CE2 C 118.095 0.030 3 589 55 55 TYR N N 119.072 0.030 1 590 56 56 ALA H H 7.453 0.003 1 591 56 56 ALA HA H 4.320 0.002 1 592 56 56 ALA HB H 1.269 0.002 1 593 56 56 ALA C C 176.718 0.030 1 594 56 56 ALA CA C 51.718 0.030 1 595 56 56 ALA CB C 18.031 0.030 1 596 56 56 ALA N N 120.852 0.038 1 597 57 57 ASP H H 7.924 0.007 1 598 57 57 ASP HA H 4.162 0.004 1 599 57 57 ASP HB2 H 3.087 0.002 2 600 57 57 ASP HB3 H 2.542 0.001 2 601 57 57 ASP C C 176.083 0.030 1 602 57 57 ASP CA C 56.127 0.030 1 603 57 57 ASP CB C 39.847 0.003 1 604 57 57 ASP N N 114.917 0.074 1 605 58 58 GLU H H 8.222 0.003 1 606 58 58 GLU HA H 3.919 0.003 1 607 58 58 GLU HB2 H -0.115 0.003 2 608 58 58 GLU HB3 H 1.608 0.002 2 609 58 58 GLU HG2 H 1.760 0.005 2 610 58 58 GLU HG3 H 1.536 0.002 2 611 58 58 GLU C C 175.422 0.030 1 612 58 58 GLU CA C 55.386 0.030 1 613 58 58 GLU CB C 27.024 0.002 1 614 58 58 GLU CG C 35.615 0.008 1 615 58 58 GLU N N 121.230 0.029 1 616 59 59 THR H H 7.990 0.006 1 617 59 59 THR HA H 5.571 0.003 1 618 59 59 THR HB H 3.805 0.005 1 619 59 59 THR HG2 H 1.149 0.001 1 620 59 59 THR C C 175.163 0.030 1 621 59 59 THR CA C 61.673 0.030 1 622 59 59 THR CB C 71.554 0.030 1 623 59 59 THR CG2 C 21.451 0.030 1 624 59 59 THR N N 119.928 0.025 1 625 60 60 ILE H H 8.937 0.004 1 626 60 60 ILE HA H 5.468 0.003 1 627 60 60 ILE HB H 2.061 0.003 1 628 60 60 ILE HG12 H 1.587 0.003 1 629 60 60 ILE HG13 H 1.587 0.003 1 630 60 60 ILE HG2 H 1.154 0.005 1 631 60 60 ILE HD1 H 0.578 0.005 1 632 60 60 ILE C C 175.300 0.030 1 633 60 60 ILE CA C 59.590 0.030 1 634 60 60 ILE CB C 41.813 0.030 1 635 60 60 ILE CG1 C 25.329 0.030 1 636 60 60 ILE CG2 C 18.201 0.030 1 637 60 60 ILE CD1 C 14.789 0.030 1 638 60 60 ILE N N 116.826 0.009 1 639 61 61 SER H H 8.786 0.007 1 640 61 61 SER HA H 5.874 0.007 1 641 61 61 SER HB2 H 3.638 0.010 2 642 61 61 SER HB3 H 3.978 0.001 2 643 61 61 SER C C 174.688 0.030 1 644 61 61 SER CA C 57.559 0.030 1 645 61 61 SER CB C 64.452 0.001 1 646 61 61 SER N N 117.219 0.019 1 647 62 62 VAL H H 10.186 0.006 1 648 62 62 VAL HA H 4.636 0.004 1 649 62 62 VAL HB H 2.243 0.003 1 650 62 62 VAL HG1 H 1.150 0.002 1 651 62 62 VAL HG2 H 1.150 0.002 1 652 62 62 VAL C C 173.145 0.030 1 653 62 62 VAL CA C 61.874 0.030 1 654 62 62 VAL CB C 34.852 0.030 1 655 62 62 VAL CG1 C 22.645 0.030 1 656 62 62 VAL CG2 C 22.645 0.030 1 657 62 62 VAL N N 126.544 0.055 1 658 63 63 ALA H H 8.701 0.009 1 659 63 63 ALA HA H 5.427 0.004 1 660 63 63 ALA HB H 1.006 0.002 1 661 63 63 ALA C C 174.529 0.030 1 662 63 63 ALA CA C 50.583 0.030 1 663 63 63 ALA CB C 20.857 0.030 1 664 63 63 ALA N N 127.807 0.052 1 665 64 64 ILE H H 9.319 0.003 1 666 64 64 ILE HA H 5.352 0.005 1 667 64 64 ILE HB H 1.609 0.005 1 668 64 64 ILE HG12 H 1.090 0.002 2 669 64 64 ILE HG13 H 1.502 0.002 2 670 64 64 ILE HG2 H 0.754 0.005 1 671 64 64 ILE HD1 H 0.722 0.001 1 672 64 64 ILE C C 176.404 0.030 1 673 64 64 ILE CA C 58.686 0.030 1 674 64 64 ILE CB C 41.853 0.030 1 675 64 64 ILE CG1 C 27.083 0.012 1 676 64 64 ILE CG2 C 17.742 0.030 1 677 64 64 ILE CD1 C 13.896 0.030 1 678 64 64 ILE N N 120.404 0.012 1 679 65 65 ASP H H 8.661 0.003 1 680 65 65 ASP HA H 5.130 0.007 1 681 65 65 ASP HB2 H 2.853 0.003 2 682 65 65 ASP HB3 H 3.993 0.003 2 683 65 65 ASP C C 174.960 0.030 1 684 65 65 ASP CA C 53.387 0.030 1 685 65 65 ASP CB C 41.954 0.003 1 686 65 65 ASP N N 124.896 0.025 1 687 66 66 VAL H H 9.243 0.005 1 688 66 66 VAL HA H 4.105 0.003 1 689 66 66 VAL HB H 2.551 0.003 1 690 66 66 VAL HG1 H 0.932 0.006 2 691 66 66 VAL HG2 H 0.885 0.004 2 692 66 66 VAL C C 178.438 0.030 1 693 66 66 VAL CA C 63.494 0.030 1 694 66 66 VAL CB C 31.075 0.030 1 695 66 66 VAL CG1 C 22.068 0.030 2 696 66 66 VAL CG2 C 18.859 0.030 2 697 66 66 VAL N N 120.921 0.018 1 698 67 67 THR H H 9.342 0.004 1 699 67 67 THR HA H 4.472 0.010 1 700 67 67 THR HB H 4.358 0.003 1 701 67 67 THR HG2 H 0.969 0.002 1 702 67 67 THR C C 176.562 0.030 1 703 67 67 THR CA C 63.477 0.030 1 704 67 67 THR CB C 69.630 0.030 1 705 67 67 THR CG2 C 21.716 0.030 1 706 67 67 THR N N 111.292 0.019 1 707 68 68 ASN H H 7.112 0.006 1 708 68 68 ASN HA H 4.707 0.002 1 709 68 68 ASN HB2 H 2.880 0.004 2 710 68 68 ASN HB3 H 3.135 0.001 2 711 68 68 ASN HD21 H 6.551 0.002 1 712 68 68 ASN HD22 H 7.096 0.001 1 713 68 68 ASN C C 176.386 0.030 1 714 68 68 ASN CA C 53.398 0.030 1 715 68 68 ASN CB C 38.664 0.004 1 716 68 68 ASN N N 115.733 0.053 1 717 68 68 ASN ND2 N 109.858 0.005 1 718 69 69 VAL H H 8.960 0.004 1 719 69 69 VAL HA H 3.352 0.003 1 720 69 69 VAL HB H 2.093 0.002 1 721 69 69 VAL HG1 H 1.023 0.002 2 722 69 69 VAL HG2 H 0.724 0.005 2 723 69 69 VAL C C 173.963 0.030 1 724 69 69 VAL CA C 62.736 0.030 1 725 69 69 VAL CB C 31.784 0.030 1 726 69 69 VAL CG1 C 26.824 0.030 2 727 69 69 VAL CG2 C 23.192 0.030 2 728 69 69 VAL N N 116.107 0.028 1 729 70 70 TYR H H 8.533 0.003 1 730 70 70 TYR HA H 4.634 0.007 1 731 70 70 TYR HB2 H 2.918 0.008 1 732 70 70 TYR HB3 H 2.918 0.008 1 733 70 70 TYR HD1 H 7.226 0.003 3 734 70 70 TYR HD2 H 7.226 0.003 3 735 70 70 TYR HE1 H 6.918 0.004 3 736 70 70 TYR HE2 H 6.918 0.004 3 737 70 70 TYR C C 174.754 0.030 1 738 70 70 TYR CA C 58.691 0.030 1 739 70 70 TYR CB C 38.328 0.030 1 740 70 70 TYR CD1 C 133.172 0.030 3 741 70 70 TYR CD2 C 133.172 0.030 3 742 70 70 TYR CE1 C 118.108 0.030 3 743 70 70 TYR CE2 C 118.108 0.030 3 744 70 70 TYR N N 119.587 0.023 1 745 71 71 VAL H H 8.486 0.006 1 746 71 71 VAL HA H 4.379 0.003 1 747 71 71 VAL HB H 2.198 0.002 1 748 71 71 VAL HG1 H 1.091 0.004 2 749 71 71 VAL HG2 H 1.092 0.006 2 750 71 71 VAL C C 176.591 0.030 1 751 71 71 VAL CA C 63.439 0.030 1 752 71 71 VAL CB C 32.532 0.030 1 753 71 71 VAL CG1 C 22.757 0.030 2 754 71 71 VAL CG2 C 21.730 0.030 2 755 71 71 VAL N N 123.210 0.032 1 756 72 72 MET H H 9.293 0.006 1 757 72 72 MET HA H 5.226 0.004 1 758 72 72 MET HB2 H 1.973 0.003 1 759 72 72 MET HB3 H 1.973 0.003 1 760 72 72 MET HG2 H 2.825 0.001 2 761 72 72 MET HG3 H 2.764 0.001 2 762 72 72 MET C C 176.108 0.030 1 763 72 72 MET CA C 55.033 0.030 1 764 72 72 MET CB C 38.019 0.030 1 765 72 72 MET CG C 32.241 0.030 1 766 72 72 MET N N 123.670 0.069 1 767 73 73 GLY H H 7.574 0.005 1 768 73 73 GLY HA2 H 4.468 0.004 2 769 73 73 GLY HA3 H 3.561 0.001 2 770 73 73 GLY C C 175.750 0.030 1 771 73 73 GLY CA C 45.490 0.001 1 772 73 73 GLY N N 102.338 0.037 1 773 74 74 TYR H H 9.358 0.004 1 774 74 74 TYR HA H 5.731 0.009 1 775 74 74 TYR HB2 H 2.673 0.006 2 776 74 74 TYR HB3 H 3.031 0.005 2 777 74 74 TYR C C 170.997 0.030 1 778 74 74 TYR CA C 56.337 0.030 1 779 74 74 TYR CB C 41.619 0.004 1 780 74 74 TYR N N 117.143 0.028 1 781 75 75 ARG H H 9.293 0.004 1 782 75 75 ARG HA H 4.650 0.002 1 783 75 75 ARG HB2 H -0.328 0.001 2 784 75 75 ARG HB3 H 0.747 0.003 2 785 75 75 ARG HG2 H 1.178 0.002 2 786 75 75 ARG HG3 H 0.955 0.001 2 787 75 75 ARG HD2 H 2.820 0.002 2 788 75 75 ARG HD3 H 2.767 0.002 2 789 75 75 ARG C C 169.856 0.030 1 790 75 75 ARG CB C 32.699 0.003 1 791 75 75 ARG CG C 26.383 0.005 1 792 75 75 ARG CD C 44.418 0.030 1 793 75 75 ARG N N 121.156 0.019 1 794 76 76 ALA H H 8.586 0.005 1 795 76 76 ALA HA H 4.945 0.002 1 796 76 76 ALA HB H 1.389 0.002 1 797 76 76 ALA C C 174.198 0.030 1 798 76 76 ALA CA C 50.597 0.030 1 799 76 76 ALA CB C 22.388 0.030 1 800 76 76 ALA N N 128.390 0.068 1 801 77 77 GLY H H 9.689 0.004 1 802 77 77 GLY HA2 H 3.648 0.005 2 803 77 77 GLY HA3 H 3.944 0.005 2 804 77 77 GLY C C 176.959 0.030 1 805 77 77 GLY CA C 47.386 0.030 1 806 77 77 GLY N N 115.591 0.026 1 807 78 78 ASP HA H 4.725 0.002 1 808 78 78 ASP HB2 H 2.781 0.002 1 809 78 78 ASP HB3 H 2.781 0.002 1 810 78 78 ASP C C 174.584 0.030 1 811 78 78 ASP CA C 54.268 0.030 1 812 78 78 ASP CB C 41.846 0.030 1 813 79 79 THR H H 7.754 0.008 1 814 79 79 THR HA H 5.028 0.001 1 815 79 79 THR HB H 3.779 0.002 1 816 79 79 THR HG2 H 0.942 0.002 1 817 79 79 THR C C 175.085 0.030 1 818 79 79 THR CA C 61.647 0.030 1 819 79 79 THR CB C 71.080 0.030 1 820 79 79 THR N N 116.261 0.038 1 821 80 80 SER H H 8.753 0.006 1 822 80 80 SER HA H 4.492 0.001 1 823 80 80 SER HB2 H 3.242 0.001 2 824 80 80 SER HB3 H 3.603 0.001 2 825 80 80 SER C C 171.456 0.030 1 826 80 80 SER CA C 55.267 0.030 1 827 80 80 SER CB C 66.743 0.002 1 828 80 80 SER N N 120.695 0.039 1 829 81 81 TYR H H 8.522 0.003 1 830 81 81 TYR HA H 5.056 0.002 1 831 81 81 TYR HB2 H 1.748 0.001 2 832 81 81 TYR HB3 H 1.840 0.002 2 833 81 81 TYR C C 170.808 0.030 1 834 81 81 TYR CA C 55.952 0.030 1 835 81 81 TYR CB C 41.093 0.030 1 836 81 81 TYR N N 118.809 0.026 1 837 82 82 PHE H H 8.340 0.008 1 838 82 82 PHE HA H 5.166 0.005 1 839 82 82 PHE HB2 H 3.256 0.002 2 840 82 82 PHE HB3 H 2.706 0.002 2 841 82 82 PHE HD1 H 7.169 0.002 3 842 82 82 PHE HD2 H 7.169 0.002 3 843 82 82 PHE HE1 H 6.968 0.004 3 844 82 82 PHE HE2 H 6.968 0.004 3 845 82 82 PHE C C 175.063 0.030 1 846 82 82 PHE CA C 56.738 0.030 1 847 82 82 PHE CB C 43.546 0.003 1 848 82 82 PHE CD1 C 132.570 0.030 3 849 82 82 PHE CD2 C 132.570 0.030 3 850 82 82 PHE CE1 C 129.698 0.030 3 851 82 82 PHE CE2 C 129.698 0.030 3 852 82 82 PHE N N 116.345 0.052 1 853 83 83 PHE H H 7.558 0.002 1 854 83 83 PHE HA H 4.651 0.010 1 855 83 83 PHE HB2 H 3.513 0.018 2 856 83 83 PHE HB3 H 3.037 0.003 2 857 83 83 PHE HD1 H 7.177 0.002 3 858 83 83 PHE HD2 H 7.177 0.002 3 859 83 83 PHE HE1 H 7.177 0.002 3 860 83 83 PHE HE2 H 7.177 0.002 3 861 83 83 PHE HZ H 7.177 0.002 1 862 83 83 PHE C C 176.129 0.030 1 863 83 83 PHE CA C 60.259 0.001 1 864 83 83 PHE CB C 41.498 0.001 1 865 83 83 PHE N N 117.528 0.034 1 866 84 84 ASN H H 8.146 0.003 1 867 84 84 ASN HA H 4.705 0.006 1 868 84 84 ASN HB2 H 3.241 0.005 2 869 84 84 ASN HB3 H 2.736 0.001 2 870 84 84 ASN HD21 H 7.130 0.002 1 871 84 84 ASN HD22 H 6.816 0.006 1 872 84 84 ASN C C 174.973 0.030 1 873 84 84 ASN CA C 51.754 0.030 1 874 84 84 ASN CB C 35.875 0.030 1 875 84 84 ASN N N 119.031 0.059 1 876 84 84 ASN ND2 N 109.347 0.038 1 877 85 85 GLU H H 7.666 0.004 1 878 85 85 GLU HA H 4.703 0.003 1 879 85 85 GLU HB2 H 2.385 0.002 1 880 85 85 GLU HG2 H 2.316 0.001 2 881 85 85 GLU HG3 H 2.260 0.002 2 882 85 85 GLU C C 173.838 0.030 1 883 85 85 GLU CA C 55.449 0.030 1 884 85 85 GLU CB C 32.505 0.030 1 885 85 85 GLU CG C 36.331 0.003 1 886 85 85 GLU N N 117.386 0.058 1 887 86 86 ALA C C 176.240 0.030 1 888 87 87 SER HA H 4.047 0.002 1 889 87 87 SER CA C 61.202 0.030 1 890 87 87 SER CB C 61.802 0.030 1 891 88 88 ALA H H 7.225 0.005 1 892 88 88 ALA HA H 4.607 0.003 1 893 88 88 ALA HB H 2.221 0.005 1 894 88 88 ALA C C 176.671 0.030 1 895 88 88 ALA CA C 55.092 0.030 1 896 88 88 ALA CB C 20.671 0.030 1 897 88 88 ALA N N 127.095 0.034 1 898 89 89 THR H H 8.137 0.003 1 899 89 89 THR HA H 3.715 0.007 1 900 89 89 THR HB H 4.320 0.002 1 901 89 89 THR HG2 H 1.172 0.002 1 902 89 89 THR C C 178.702 0.030 1 903 89 89 THR CA C 66.241 0.030 1 904 89 89 THR CB C 68.416 0.030 1 905 89 89 THR CG2 C 22.343 0.030 1 906 89 89 THR N N 116.482 0.039 1 907 90 90 GLU H H 7.686 0.008 1 908 90 90 GLU HA H 4.118 0.005 1 909 90 90 GLU HB2 H 2.214 0.001 1 910 90 90 GLU HB3 H 2.214 0.001 1 911 90 90 GLU HG2 H 2.559 0.002 2 912 90 90 GLU HG3 H 2.482 0.002 2 913 90 90 GLU C C 176.783 0.030 1 914 90 90 GLU CA C 59.111 0.030 1 915 90 90 GLU CB C 28.797 0.030 1 916 90 90 GLU CG C 35.313 0.030 1 917 90 90 GLU N N 121.303 0.051 1 918 91 91 ALA H H 7.671 0.009 1 919 91 91 ALA HA H 3.587 0.006 1 920 91 91 ALA HB H 1.060 0.003 1 921 91 91 ALA C C 178.368 0.030 1 922 91 91 ALA CA C 55.229 0.030 1 923 91 91 ALA CB C 18.078 0.030 1 924 91 91 ALA N N 121.221 0.040 1 925 92 92 ALA H H 7.488 0.004 1 926 92 92 ALA HA H 3.592 0.002 1 927 92 92 ALA HB H 0.359 0.002 1 928 92 92 ALA C C 179.278 0.030 1 929 92 92 ALA CA C 53.464 0.030 1 930 92 92 ALA CB C 16.654 0.030 1 931 92 92 ALA N N 117.505 0.037 1 932 93 93 LYS H H 7.448 0.004 1 933 93 93 LYS HA H 3.834 0.004 1 934 93 93 LYS HB2 H 1.190 0.001 2 935 93 93 LYS HB3 H 1.530 0.001 2 936 93 93 LYS HG2 H 1.110 0.001 1 937 93 93 LYS HD2 H 1.606 0.001 1 938 93 93 LYS HE2 H 2.797 0.001 2 939 93 93 LYS HE3 H 2.890 0.001 2 940 93 93 LYS C C 178.200 0.030 1 941 93 93 LYS CA C 58.105 0.030 1 942 93 93 LYS CB C 32.280 0.005 1 943 93 93 LYS CG C 25.575 0.030 1 944 93 93 LYS CD C 29.754 0.030 1 945 93 93 LYS CE C 42.449 0.003 1 946 93 93 LYS N N 116.321 0.031 1 947 94 94 TYR H H 7.902 0.003 1 948 94 94 TYR HA H 4.527 0.002 1 949 94 94 TYR HB2 H 3.269 0.003 2 950 94 94 TYR HB3 H 2.660 0.002 2 951 94 94 TYR HD1 H 7.282 0.001 3 952 94 94 TYR HD2 H 7.282 0.001 3 953 94 94 TYR HE1 H 6.965 0.002 3 954 94 94 TYR HE2 H 6.965 0.002 3 955 94 94 TYR C C 177.328 0.030 1 956 94 94 TYR CA C 59.682 0.030 1 957 94 94 TYR CB C 42.502 0.001 1 958 94 94 TYR CD1 C 134.361 0.030 3 959 94 94 TYR CD2 C 134.361 0.030 3 960 94 94 TYR CE1 C 118.467 0.030 3 961 94 94 TYR CE2 C 118.467 0.030 3 962 94 94 TYR N N 114.138 0.030 1 963 95 95 VAL H H 7.542 0.006 1 964 95 95 VAL HA H 4.528 0.004 1 965 95 95 VAL HB H 1.214 0.001 1 966 95 95 VAL HG1 H 0.444 0.002 2 967 95 95 VAL HG2 H 0.255 0.006 2 968 95 95 VAL C C 175.668 0.030 1 969 95 95 VAL CA C 59.412 0.030 1 970 95 95 VAL CB C 34.270 0.030 1 971 95 95 VAL CG1 C 21.479 0.030 2 972 95 95 VAL CG2 C 18.943 0.030 2 973 95 95 VAL N N 113.409 0.059 1 974 96 96 PHE H H 8.948 0.004 1 975 96 96 PHE HA H 4.647 0.015 1 976 96 96 PHE HB2 H 3.228 0.001 2 977 96 96 PHE HB3 H 3.560 0.002 2 978 96 96 PHE HD1 H 7.156 0.002 3 979 96 96 PHE HD2 H 7.156 0.002 3 980 96 96 PHE HE1 H 7.156 0.002 3 981 96 96 PHE HE2 H 7.156 0.002 3 982 96 96 PHE HZ H 7.156 0.002 1 983 96 96 PHE C C 173.609 0.030 1 984 96 96 PHE CA C 54.835 0.030 1 985 96 96 PHE CB C 35.953 0.003 1 986 96 96 PHE N N 115.317 0.031 1 987 97 97 LYS H H 8.623 0.005 1 988 97 97 LYS HA H 3.982 0.008 1 989 97 97 LYS HB2 H 1.825 0.002 2 990 97 97 LYS HB3 H 1.694 0.002 2 991 97 97 LYS HG2 H 1.282 0.002 2 992 97 97 LYS HG3 H 1.243 0.002 2 993 97 97 LYS HD2 H 1.620 0.002 2 994 97 97 LYS HD3 H 1.570 0.002 2 995 97 97 LYS HE2 H 2.931 0.003 1 996 97 97 LYS HE3 H 2.931 0.003 1 997 97 97 LYS C C 178.057 0.030 1 998 97 97 LYS CA C 59.081 0.030 1 999 97 97 LYS CB C 31.190 0.030 1 1000 97 97 LYS CG C 24.478 0.003 1 1001 97 97 LYS CD C 28.252 0.002 1 1002 97 97 LYS CE C 41.296 0.030 1 1003 97 97 LYS N N 118.520 0.026 1 1004 98 98 ASP H H 8.799 0.003 1 1005 98 98 ASP HA H 4.514 0.002 1 1006 98 98 ASP HB2 H 2.854 0.002 2 1007 98 98 ASP HB3 H 2.598 0.002 2 1008 98 98 ASP C C 176.989 0.030 1 1009 98 98 ASP CA C 52.985 0.030 1 1010 98 98 ASP CB C 39.795 0.003 1 1011 98 98 ASP N N 113.530 0.053 1 1012 99 99 ALA H H 7.305 0.004 1 1013 99 99 ALA HA H 4.028 0.009 1 1014 99 99 ALA HB H 1.237 0.002 1 1015 99 99 ALA C C 176.205 0.030 1 1016 99 99 ALA CA C 52.861 0.030 1 1017 99 99 ALA CB C 17.775 0.030 1 1018 99 99 ALA N N 123.625 0.056 1 1019 100 100 LYS H H 8.304 0.002 1 1020 100 100 LYS HA H 4.141 0.003 1 1021 100 100 LYS HB2 H 1.927 0.002 2 1022 100 100 LYS HB3 H 1.816 0.003 2 1023 100 100 LYS HG2 H 1.603 0.002 2 1024 100 100 LYS HG3 H 1.496 0.002 2 1025 100 100 LYS HD2 H 1.703 0.002 1 1026 100 100 LYS HD3 H 1.703 0.002 1 1027 100 100 LYS HE2 H 3.035 0.002 1 1028 100 100 LYS HE3 H 3.035 0.002 1 1029 100 100 LYS C C 177.324 0.030 1 1030 100 100 LYS CA C 57.635 0.030 1 1031 100 100 LYS CB C 33.464 0.002 1 1032 100 100 LYS CG C 25.349 0.001 1 1033 100 100 LYS CD C 28.896 0.030 1 1034 100 100 LYS CE C 42.274 0.030 1 1035 100 100 LYS N N 122.792 0.018 1 1036 101 101 ARG H H 7.817 0.004 1 1037 101 101 ARG HA H 4.483 0.003 1 1038 101 101 ARG HB2 H 1.658 0.002 1 1039 101 101 ARG HB3 H 1.658 0.002 1 1040 101 101 ARG HG2 H 1.470 0.002 2 1041 101 101 ARG HG3 H 1.365 0.002 2 1042 101 101 ARG HD2 H 3.095 0.002 1 1043 101 101 ARG HD3 H 3.095 0.002 1 1044 101 101 ARG C C 176.574 0.030 1 1045 101 101 ARG CA C 54.942 0.030 1 1046 101 101 ARG CB C 33.275 0.030 1 1047 101 101 ARG CG C 27.514 0.001 1 1048 101 101 ARG CD C 43.311 0.030 1 1049 101 101 ARG N N 118.245 0.044 1 1050 102 102 LYS H H 8.225 0.002 1 1051 102 102 LYS HA H 5.000 0.003 1 1052 102 102 LYS HB2 H 1.602 0.002 2 1053 102 102 LYS HB3 H 1.550 0.002 2 1054 102 102 LYS HG2 H 1.486 0.002 2 1055 102 102 LYS HG3 H 1.126 0.002 2 1056 102 102 LYS HD2 H 1.637 0.002 2 1057 102 102 LYS HD3 H 1.549 0.001 2 1058 102 102 LYS HE2 H 2.810 0.002 2 1059 102 102 LYS HE3 H 2.878 0.002 2 1060 102 102 LYS C C 172.665 0.030 1 1061 102 102 LYS CA C 54.860 0.030 1 1062 102 102 LYS CB C 34.421 0.001 1 1063 102 102 LYS CG C 24.183 0.002 1 1064 102 102 LYS CD C 29.279 0.002 1 1065 102 102 LYS CE C 41.821 0.003 1 1066 102 102 LYS N N 124.236 0.025 1 1067 103 103 VAL H H 9.212 0.005 1 1068 103 103 VAL HA H 3.977 0.007 1 1069 103 103 VAL HB H 1.570 0.001 1 1070 103 103 VAL HG1 H 0.427 0.002 2 1071 103 103 VAL HG2 H 0.652 0.002 2 1072 103 103 VAL C C 175.594 0.030 1 1073 103 103 VAL CA C 61.415 0.030 1 1074 103 103 VAL CB C 34.184 0.030 1 1075 103 103 VAL CG1 C 20.809 0.030 2 1076 103 103 VAL CG2 C 20.224 0.030 2 1077 103 103 VAL N N 130.824 0.025 1 1078 104 104 THR H H 8.622 0.007 1 1079 104 104 THR HA H 4.674 0.005 1 1080 104 104 THR HB H 3.934 0.002 1 1081 104 104 THR HG2 H 1.177 0.001 1 1082 104 104 THR C C 175.397 0.030 1 1083 104 104 THR CA C 61.940 0.030 1 1084 104 104 THR CB C 68.769 0.030 1 1085 104 104 THR CG2 C 21.121 0.030 1 1086 104 104 THR N N 124.457 0.023 1 1087 105 105 LEU H H 9.190 0.006 1 1088 105 105 LEU HA H 4.163 0.002 1 1089 105 105 LEU HB2 H 1.016 0.006 2 1090 105 105 LEU HB3 H 1.648 0.002 2 1091 105 105 LEU HD1 H 1.018 0.005 2 1092 105 105 LEU HD2 H 0.465 0.001 2 1093 105 105 LEU C C 174.684 0.030 1 1094 105 105 LEU CA C 53.290 0.030 1 1095 105 105 LEU CB C 41.083 0.030 1 1096 105 105 LEU CD1 C 23.311 0.030 2 1097 105 105 LEU CD2 C 25.336 0.030 2 1098 105 105 LEU N N 130.849 0.029 1 1099 106 106 PRO HA H 4.601 0.002 1 1100 106 106 PRO HB2 H 2.263 0.002 2 1101 106 106 PRO HB3 H 2.188 0.001 2 1102 106 106 PRO HG2 H 2.112 0.002 2 1103 106 106 PRO HG3 H 2.012 0.002 2 1104 106 106 PRO HD2 H 2.992 0.001 2 1105 106 106 PRO HD3 H 3.639 0.002 2 1106 106 106 PRO C C 175.137 0.030 1 1107 106 106 PRO CA C 63.733 0.001 1 1108 106 106 PRO CB C 30.075 0.001 1 1109 106 106 PRO CG C 27.181 0.030 1 1110 106 106 PRO CD C 49.460 0.001 1 1111 107 107 TYR H H 6.908 0.005 1 1112 107 107 TYR HA H 5.154 0.006 1 1113 107 107 TYR HB2 H 3.492 0.002 2 1114 107 107 TYR HB3 H 3.378 0.002 2 1115 107 107 TYR HD1 H 7.131 0.003 3 1116 107 107 TYR HD2 H 7.131 0.003 3 1117 107 107 TYR C C 175.648 0.030 1 1118 107 107 TYR CA C 53.635 0.005 1 1119 107 107 TYR CB C 39.636 0.001 1 1120 107 107 TYR CD1 C 134.393 0.030 3 1121 107 107 TYR CD2 C 134.393 0.030 3 1122 107 107 TYR N N 114.999 0.054 1 1123 108 108 SER H H 7.456 0.004 1 1124 108 108 SER HA H 4.367 0.003 1 1125 108 108 SER HB2 H 4.052 0.002 2 1126 108 108 SER HB3 H 3.931 0.001 2 1127 108 108 SER C C 176.520 0.030 1 1128 108 108 SER CA C 57.359 0.030 1 1129 108 108 SER CB C 64.279 0.030 1 1130 108 108 SER N N 114.613 0.029 1 1131 109 109 GLY H H 8.189 0.004 1 1132 109 109 GLY HA2 H 3.018 0.005 2 1133 109 109 GLY HA3 H 2.242 0.002 2 1134 109 109 GLY C C 171.702 0.030 1 1135 109 109 GLY CA C 44.334 0.004 1 1136 109 109 GLY N N 103.640 0.040 1 1137 110 110 ASN H H 7.180 0.006 1 1138 110 110 ASN HA H 4.556 0.002 1 1139 110 110 ASN HB2 H 2.887 0.006 2 1140 110 110 ASN HB3 H 2.685 0.003 2 1141 110 110 ASN HD21 H 6.996 0.002 1 1142 110 110 ASN HD22 H 7.849 0.002 1 1143 110 110 ASN C C 174.047 0.030 1 1144 110 110 ASN CA C 51.665 0.030 1 1145 110 110 ASN CB C 40.056 0.003 1 1146 110 110 ASN N N 115.590 0.041 1 1147 110 110 ASN ND2 N 114.840 0.001 1 1148 111 111 TYR HA H 4.251 0.002 1 1149 111 111 TYR HB2 H 2.904 0.002 2 1150 111 111 TYR HB3 H 2.946 0.001 2 1151 111 111 TYR C C 176.440 0.030 1 1152 111 111 TYR CA C 62.101 0.005 1 1153 111 111 TYR CB C 37.977 0.030 1 1154 112 112 GLU H H 8.848 0.005 1 1155 112 112 GLU HA H 4.072 0.002 1 1156 112 112 GLU HB2 H 2.181 0.002 2 1157 112 112 GLU HB3 H 2.100 0.002 2 1158 112 112 GLU HG2 H 2.386 0.002 2 1159 112 112 GLU HG3 H 2.308 0.002 2 1160 112 112 GLU C C 177.650 0.030 1 1161 112 112 GLU CA C 60.384 0.030 1 1162 112 112 GLU CB C 29.075 0.030 1 1163 112 112 GLU CG C 36.687 0.002 1 1164 112 112 GLU N N 118.404 0.060 1 1165 113 113 ARG H H 7.515 0.007 1 1166 113 113 ARG HA H 4.280 0.008 1 1167 113 113 ARG HB2 H 2.077 0.003 2 1168 113 113 ARG HB3 H 2.071 0.006 2 1169 113 113 ARG HG2 H 2.075 0.001 2 1170 113 113 ARG HG3 H 1.968 0.002 2 1171 113 113 ARG HD2 H 3.335 0.002 2 1172 113 113 ARG HD3 H 3.304 0.002 2 1173 113 113 ARG C C 179.481 0.030 1 1174 113 113 ARG CA C 56.527 0.030 1 1175 113 113 ARG CB C 29.031 0.030 1 1176 113 113 ARG CG C 26.147 0.002 1 1177 113 113 ARG CD C 41.911 0.001 1 1178 113 113 ARG N N 115.067 0.047 1 1179 114 114 LEU H H 8.596 0.005 1 1180 114 114 LEU HA H 3.767 0.003 1 1181 114 114 LEU HB2 H 2.039 0.002 2 1182 114 114 LEU HB3 H 1.318 0.003 2 1183 114 114 LEU HG H 0.613 0.002 1 1184 114 114 LEU HD1 H 0.844 0.002 1 1185 114 114 LEU C C 180.165 0.030 1 1186 114 114 LEU CA C 58.487 0.030 1 1187 114 114 LEU CB C 42.583 0.001 1 1188 114 114 LEU CG C 26.496 0.030 1 1189 114 114 LEU CD1 C 24.984 0.030 1 1190 114 114 LEU N N 122.066 0.035 1 1191 115 115 GLN H H 8.928 0.007 1 1192 115 115 GLN HA H 4.261 0.004 1 1193 115 115 GLN HB2 H 2.035 0.002 2 1194 115 115 GLN HB3 H 2.136 0.001 2 1195 115 115 GLN HG2 H 2.342 0.001 2 1196 115 115 GLN HG3 H 2.591 0.001 2 1197 115 115 GLN C C 179.108 0.030 1 1198 115 115 GLN CA C 58.820 0.030 1 1199 115 115 GLN CB C 28.402 0.004 1 1200 115 115 GLN CG C 34.068 0.030 1 1201 115 115 GLN N N 116.751 0.097 1 1202 116 116 ILE H H 7.228 0.005 1 1203 116 116 ILE HA H 3.793 0.005 1 1204 116 116 ILE HB H 1.941 0.002 1 1205 116 116 ILE HG12 H 1.297 0.003 2 1206 116 116 ILE HG13 H 1.863 0.003 2 1207 116 116 ILE HG2 H 1.003 0.004 1 1208 116 116 ILE HD1 H 0.947 0.002 1 1209 116 116 ILE C C 179.898 0.030 1 1210 116 116 ILE CA C 64.753 0.030 1 1211 116 116 ILE CB C 38.380 0.030 1 1212 116 116 ILE CG1 C 29.437 0.002 1 1213 116 116 ILE CG2 C 16.963 0.030 1 1214 116 116 ILE CD1 C 13.232 0.030 1 1215 116 116 ILE N N 120.969 0.048 1 1216 117 117 ALA H H 7.812 0.005 1 1217 117 117 ALA HA H 4.208 0.011 1 1218 117 117 ALA HB H 1.316 0.002 1 1219 117 117 ALA C C 178.885 0.030 1 1220 117 117 ALA CA C 54.920 0.002 1 1221 117 117 ALA CB C 19.152 0.030 1 1222 117 117 ALA N N 122.458 0.031 1 1223 118 118 ALA H H 8.506 0.003 1 1224 118 118 ALA HA H 4.418 0.003 1 1225 118 118 ALA HB H 1.331 0.003 1 1226 118 118 ALA C C 179.861 0.030 1 1227 118 118 ALA CA C 52.773 0.030 1 1228 118 118 ALA CB C 20.230 0.030 1 1229 118 118 ALA N N 117.233 0.012 1 1230 119 119 GLY H H 7.899 0.003 1 1231 119 119 GLY HA2 H 4.037 0.004 2 1232 119 119 GLY HA3 H 3.815 0.009 2 1233 119 119 GLY C C 178.606 0.030 1 1234 119 119 GLY CA C 45.896 0.003 1 1235 119 119 GLY N N 107.125 0.021 1 1236 120 120 LYS H H 7.489 0.003 1 1237 120 120 LYS HA H 4.689 0.004 1 1238 120 120 LYS HB2 H 1.688 0.002 2 1239 120 120 LYS HB3 H 1.392 0.002 2 1240 120 120 LYS HG2 H 1.348 0.003 1 1241 120 120 LYS HG3 H 1.348 0.003 1 1242 120 120 LYS HD2 H 1.639 0.003 2 1243 120 120 LYS HD3 H 1.636 0.002 2 1244 120 120 LYS HE2 H 2.973 0.002 1 1245 120 120 LYS HE3 H 2.973 0.002 1 1246 120 120 LYS C C 173.597 0.030 1 1247 120 120 LYS CA C 54.730 0.030 1 1248 120 120 LYS CB C 37.619 0.001 1 1249 120 120 LYS CG C 24.448 0.030 1 1250 120 120 LYS CD C 29.677 0.030 1 1251 120 120 LYS CE C 42.239 0.030 1 1252 120 120 LYS N N 116.617 0.054 1 1253 121 121 ILE H H 7.610 0.005 1 1254 121 121 ILE HA H 4.341 0.004 1 1255 121 121 ILE HB H 2.112 0.002 1 1256 121 121 ILE HG2 H 0.846 0.001 1 1257 121 121 ILE HD1 H 0.793 0.003 1 1258 121 121 ILE C C 174.080 0.030 1 1259 121 121 ILE CA C 60.007 0.030 1 1260 121 121 ILE CB C 39.180 0.030 1 1261 121 121 ILE CG2 C 18.197 0.030 1 1262 121 121 ILE CD1 C 13.127 0.030 1 1263 121 121 ILE N N 110.526 0.082 1 1264 122 122 ARG H H 8.082 0.004 1 1265 122 122 ARG HA H 3.752 0.001 1 1266 122 122 ARG C C 177.448 0.030 1 1267 122 122 ARG CA C 59.832 0.002 1 1268 122 122 ARG CB C 31.693 0.030 1 1269 122 122 ARG N N 120.175 0.020 1 1270 123 123 GLU H H 10.988 0.008 1 1271 123 123 GLU HA H 3.759 0.002 1 1272 123 123 GLU HB2 H 1.952 0.002 2 1273 123 123 GLU HB3 H 1.629 0.001 2 1274 123 123 GLU HG2 H 2.414 0.002 2 1275 123 123 GLU HG3 H 2.035 0.002 2 1276 123 123 GLU C C 178.360 0.030 1 1277 123 123 GLU CA C 60.940 0.012 1 1278 123 123 GLU CB C 29.596 0.001 1 1279 123 123 GLU CG C 38.890 0.006 1 1280 123 123 GLU N N 120.414 0.019 1 1281 124 124 ASN H H 7.815 0.002 1 1282 124 124 ASN HA H 5.031 0.003 1 1283 124 124 ASN HB2 H 3.139 0.007 2 1284 124 124 ASN HB3 H 2.520 0.002 2 1285 124 124 ASN HD21 H 7.426 0.002 1 1286 124 124 ASN HD22 H 7.046 0.002 1 1287 124 124 ASN C C 175.699 0.030 1 1288 124 124 ASN CA C 52.595 0.030 1 1289 124 124 ASN CB C 40.471 0.004 1 1290 124 124 ASN N N 112.195 0.015 1 1291 124 124 ASN ND2 N 111.655 0.023 1 1292 125 125 ILE H H 7.525 0.003 1 1293 125 125 ILE HA H 4.395 0.005 1 1294 125 125 ILE HB H 1.903 0.001 1 1295 125 125 ILE HG2 H 0.739 0.002 1 1296 125 125 ILE HD1 H 0.695 0.002 1 1297 125 125 ILE C C 174.640 0.030 1 1298 125 125 ILE CA C 58.974 0.030 1 1299 125 125 ILE CB C 39.499 0.030 1 1300 125 125 ILE CG2 C 17.057 0.030 1 1301 125 125 ILE CD1 C 14.442 0.030 1 1302 125 125 ILE N N 124.372 0.041 1 1303 126 126 PRO HA H 4.283 0.002 1 1304 126 126 PRO HB2 H 2.109 0.002 2 1305 126 126 PRO HB3 H 1.680 0.002 2 1306 126 126 PRO C C 172.827 0.030 1 1307 126 126 PRO CA C 63.315 0.030 1 1308 126 126 PRO CB C 32.691 0.001 1 1309 127 127 LEU H H 8.612 0.005 1 1310 127 127 LEU HA H 4.646 0.006 1 1311 127 127 LEU HB2 H 1.240 0.002 2 1312 127 127 LEU HB3 H 0.996 0.002 2 1313 127 127 LEU HG H 0.689 0.001 1 1314 127 127 LEU HD1 H 0.845 0.002 1 1315 127 127 LEU C C 174.945 0.030 1 1316 127 127 LEU CA C 52.555 0.030 1 1317 127 127 LEU CB C 46.578 0.003 1 1318 127 127 LEU CG C 27.308 0.030 1 1319 127 127 LEU CD1 C 23.939 0.030 1 1320 127 127 LEU N N 117.638 0.024 1 1321 128 128 GLY H H 8.218 0.005 1 1322 128 128 GLY HA2 H 4.267 0.005 2 1323 128 128 GLY HA3 H 5.295 0.008 2 1324 128 128 GLY C C 176.833 0.030 1 1325 128 128 GLY CA C 43.162 0.030 1 1326 128 128 GLY N N 103.774 0.031 1 1327 129 129 LEU H H 9.558 0.003 1 1328 129 129 LEU HA H 4.235 0.002 1 1329 129 129 LEU HB2 H 2.487 0.002 2 1330 129 129 LEU HB3 H 1.574 0.002 2 1331 129 129 LEU HG H 0.974 0.003 1 1332 129 129 LEU HD1 H 0.564 0.008 1 1333 129 129 LEU C C 175.835 0.030 1 1334 129 129 LEU CA C 61.070 0.030 1 1335 129 129 LEU CB C 37.099 0.002 1 1336 129 129 LEU CG C 25.887 0.030 1 1337 129 129 LEU CD1 C 22.543 0.030 1 1338 129 129 LEU N N 124.154 0.018 1 1339 130 130 PRO HA H 4.472 0.001 1 1340 130 130 PRO HB2 H 1.515 0.001 2 1341 130 130 PRO HB3 H 2.527 0.002 2 1342 130 130 PRO HD2 H 3.909 0.001 2 1343 130 130 PRO HD3 H 3.306 0.002 2 1344 130 130 PRO C C 176.569 0.030 1 1345 130 130 PRO CA C 65.786 0.003 1 1346 130 130 PRO CB C 31.291 0.009 1 1347 130 130 PRO CG C 28.580 0.030 1 1348 130 130 PRO CD C 50.933 0.001 1 1349 131 131 ALA H H 6.361 0.006 1 1350 131 131 ALA HA H 4.262 0.002 1 1351 131 131 ALA HB H 1.342 0.003 1 1352 131 131 ALA C C 179.836 0.030 1 1353 131 131 ALA CA C 53.761 0.003 1 1354 131 131 ALA CB C 18.232 0.030 1 1355 131 131 ALA N N 116.560 0.053 1 1356 132 132 LEU H H 7.922 0.004 1 1357 132 132 LEU HA H 4.192 0.004 1 1358 132 132 LEU HB2 H 2.428 0.001 2 1359 132 132 LEU HB3 H 1.238 0.001 2 1360 132 132 LEU HD1 H 1.022 0.001 2 1361 132 132 LEU HD2 H 1.087 0.002 2 1362 132 132 LEU C C 180.363 0.030 1 1363 132 132 LEU CA C 57.354 0.030 1 1364 132 132 LEU CB C 41.801 0.008 1 1365 132 132 LEU CD1 C 22.116 0.030 2 1366 132 132 LEU CD2 C 25.313 0.030 2 1367 132 132 LEU N N 121.929 0.078 1 1368 133 133 ASP H H 7.903 0.002 1 1369 133 133 ASP HA H 3.968 0.012 1 1370 133 133 ASP HB2 H 2.669 0.001 2 1371 133 133 ASP HB3 H 1.946 0.003 2 1372 133 133 ASP C C 177.232 0.030 1 1373 133 133 ASP CA C 59.275 0.030 1 1374 133 133 ASP CB C 43.183 0.003 1 1375 133 133 ASP N N 119.670 0.052 1 1376 134 134 SER H H 7.625 0.006 1 1377 134 134 SER HA H 4.332 0.002 1 1378 134 134 SER HB2 H 4.028 0.002 2 1379 134 134 SER HB3 H 4.001 0.002 2 1380 134 134 SER C C 177.228 0.030 1 1381 134 134 SER CA C 61.317 0.030 1 1382 134 134 SER CB C 62.955 0.003 1 1383 134 134 SER N N 111.842 0.033 1 1384 135 135 ALA H H 8.285 0.002 1 1385 135 135 ALA HA H 4.159 0.007 1 1386 135 135 ALA HB H 1.584 0.003 1 1387 135 135 ALA C C 177.071 0.030 1 1388 135 135 ALA CA C 55.296 0.030 1 1389 135 135 ALA CB C 18.227 0.030 1 1390 135 135 ALA N N 124.687 0.059 1 1391 136 136 ILE H H 8.303 0.003 1 1392 136 136 ILE HA H 3.394 0.004 1 1393 136 136 ILE HB H 1.947 0.002 1 1394 136 136 ILE HG2 H 0.862 0.001 1 1395 136 136 ILE C C 179.074 0.030 1 1396 136 136 ILE CA C 66.458 0.030 1 1397 136 136 ILE CB C 38.257 0.030 1 1398 136 136 ILE CG2 C 17.039 0.030 1 1399 136 136 ILE N N 117.302 0.027 1 1400 137 137 THR H H 8.029 0.005 1 1401 137 137 THR HA H 3.731 0.004 1 1402 137 137 THR HB H 4.399 0.002 1 1403 137 137 THR HG2 H 1.435 0.005 1 1404 137 137 THR C C 177.214 0.030 1 1405 137 137 THR CA C 67.920 0.030 1 1406 137 137 THR CB C 68.762 0.030 1 1407 137 137 THR CG2 C 22.670 0.030 1 1408 137 137 THR N N 116.588 0.037 1 1409 138 138 THR H H 8.345 0.006 1 1410 138 138 THR HA H 3.912 0.002 1 1411 138 138 THR HB H 4.200 0.002 1 1412 138 138 THR HG2 H 1.087 0.007 1 1413 138 138 THR C C 175.755 0.030 1 1414 138 138 THR CA C 66.792 0.030 1 1415 138 138 THR CB C 68.797 0.030 1 1416 138 138 THR CG2 C 22.780 0.030 1 1417 138 138 THR N N 117.619 0.046 1 1418 139 139 LEU H H 7.902 0.005 1 1419 139 139 LEU HA H 4.101 0.002 1 1420 139 139 LEU HB2 H 1.408 0.001 2 1421 139 139 LEU HB3 H 0.859 0.002 2 1422 139 139 LEU HG H 0.122 0.005 1 1423 139 139 LEU HD1 H 0.734 0.003 1 1424 139 139 LEU C C 175.471 0.030 1 1425 139 139 LEU CA C 56.539 0.030 1 1426 139 139 LEU CB C 39.196 0.004 1 1427 139 139 LEU CG C 25.533 0.030 1 1428 139 139 LEU CD1 C 20.241 0.030 1 1429 139 139 LEU N N 119.597 0.058 1 1430 140 140 PHE H H 9.182 0.002 1 1431 140 140 PHE HA H 3.875 0.001 1 1432 140 140 PHE HB2 H 2.867 0.002 1 1433 140 140 PHE HB3 H 2.867 0.002 1 1434 140 140 PHE HD1 H 6.266 0.002 3 1435 140 140 PHE HD2 H 6.266 0.002 3 1436 140 140 PHE HE1 H 6.266 0.002 3 1437 140 140 PHE HE2 H 6.266 0.002 3 1438 140 140 PHE C C 179.137 0.030 1 1439 140 140 PHE CA C 61.542 0.030 1 1440 140 140 PHE CB C 39.435 0.030 1 1441 140 140 PHE N N 123.663 0.014 1 1442 141 141 TYR H H 7.680 0.004 1 1443 141 141 TYR HA H 4.511 0.003 1 1444 141 141 TYR HB2 H 3.212 0.001 2 1445 141 141 TYR HB3 H 2.773 0.002 2 1446 141 141 TYR HD1 H 7.510 0.002 3 1447 141 141 TYR HD2 H 7.510 0.002 3 1448 141 141 TYR HE1 H 7.100 0.002 3 1449 141 141 TYR HE2 H 7.100 0.002 3 1450 141 141 TYR C C 176.988 0.030 1 1451 141 141 TYR CA C 57.617 0.030 1 1452 141 141 TYR CB C 36.986 0.001 1 1453 141 141 TYR CD1 C 133.783 0.030 3 1454 141 141 TYR CD2 C 133.783 0.030 3 1455 141 141 TYR CE1 C 119.112 0.030 3 1456 141 141 TYR CE2 C 119.112 0.030 3 1457 141 141 TYR N N 116.874 0.036 1 1458 142 142 TYR H H 6.971 0.004 1 1459 142 142 TYR HA H 3.991 0.001 1 1460 142 142 TYR HB2 H 3.019 0.002 2 1461 142 142 TYR HB3 H 2.747 0.002 2 1462 142 142 TYR HD1 H 6.993 0.002 3 1463 142 142 TYR HD2 H 6.993 0.002 3 1464 142 142 TYR HE1 H 6.596 0.004 3 1465 142 142 TYR HE2 H 6.596 0.004 3 1466 142 142 TYR C C 174.786 0.030 1 1467 142 142 TYR CA C 60.264 0.030 1 1468 142 142 TYR CB C 38.408 0.030 1 1469 142 142 TYR CD1 C 133.472 0.030 3 1470 142 142 TYR CD2 C 133.472 0.030 3 1471 142 142 TYR CE1 C 117.374 0.030 3 1472 142 142 TYR CE2 C 117.374 0.030 3 1473 142 142 TYR N N 119.702 0.024 1 1474 143 143 ASN H H 7.987 0.006 1 1475 143 143 ASN HA H 4.541 0.003 1 1476 143 143 ASN HB2 H 2.886 0.006 2 1477 143 143 ASN HB3 H 2.745 0.005 2 1478 143 143 ASN HD21 H 7.736 0.002 1 1479 143 143 ASN HD22 H 6.954 0.005 1 1480 143 143 ASN C C 173.959 0.030 1 1481 143 143 ASN CA C 51.947 0.030 1 1482 143 143 ASN CB C 38.875 0.003 1 1483 143 143 ASN N N 124.572 0.063 1 1484 143 143 ASN ND2 N 112.242 0.049 1 1485 144 144 ALA H H 8.312 0.006 1 1486 144 144 ALA HA H 3.467 0.005 1 1487 144 144 ALA HB H 1.395 0.002 1 1488 144 144 ALA C C 175.282 0.030 1 1489 144 144 ALA CA C 55.392 0.030 1 1490 144 144 ALA CB C 18.683 0.030 1 1491 144 144 ALA N N 127.649 0.033 1 1492 145 145 ASN HA H 4.694 0.002 1 1493 145 145 ASN HB2 H 2.912 0.005 1 1494 145 145 ASN HB3 H 2.912 0.005 1 1495 145 145 ASN C C 179.817 0.030 1 1496 145 145 ASN CA C 55.266 0.004 1 1497 145 145 ASN CB C 38.315 0.002 1 1498 146 146 SER H H 7.684 0.004 1 1499 146 146 SER HA H 4.929 0.006 1 1500 146 146 SER HB2 H 3.929 0.002 2 1501 146 146 SER HB3 H 3.756 0.002 2 1502 146 146 SER C C 176.143 0.030 1 1503 146 146 SER CA C 58.170 0.030 1 1504 146 146 SER CB C 65.016 0.001 1 1505 146 146 SER N N 112.968 0.054 1 1506 147 147 ALA H H 7.385 0.004 1 1507 147 147 ALA HA H 3.889 0.003 1 1508 147 147 ALA HB H 1.447 0.002 1 1509 147 147 ALA C C 175.291 0.030 1 1510 147 147 ALA CA C 55.856 0.030 1 1511 147 147 ALA CB C 18.674 0.030 1 1512 147 147 ALA N N 124.581 0.049 1 1513 148 148 ALA H H 8.398 0.006 1 1514 148 148 ALA HA H 4.004 0.005 1 1515 148 148 ALA HB H 1.193 0.004 1 1516 148 148 ALA C C 177.919 0.030 1 1517 148 148 ALA CA C 56.427 0.030 1 1518 148 148 ALA CB C 17.940 0.030 1 1519 148 148 ALA N N 120.088 0.066 1 1520 149 149 SER H H 8.449 0.005 1 1521 149 149 SER HA H 4.001 0.006 1 1522 149 149 SER HB2 H 3.883 0.003 1 1523 149 149 SER HB3 H 3.883 0.003 1 1524 149 149 SER C C 179.741 0.030 1 1525 149 149 SER CA C 62.147 0.030 1 1526 149 149 SER N N 112.260 0.032 1 1527 150 150 ALA H H 7.415 0.002 1 1528 150 150 ALA HA H 4.114 0.006 1 1529 150 150 ALA HB H 1.569 0.004 1 1530 150 150 ALA C C 176.303 0.030 1 1531 150 150 ALA CA C 55.169 0.030 1 1532 150 150 ALA CB C 18.678 0.030 1 1533 150 150 ALA N N 122.917 0.021 1 1534 151 151 LEU H H 9.225 0.004 1 1535 151 151 LEU HA H 4.037 0.003 1 1536 151 151 LEU HB2 H 1.414 0.002 2 1537 151 151 LEU HB3 H 1.887 0.001 2 1538 151 151 LEU HG H 1.225 0.002 1 1539 151 151 LEU HD1 H 0.809 0.004 1 1540 151 151 LEU C C 180.565 0.030 1 1541 151 151 LEU CA C 58.493 0.030 1 1542 151 151 LEU CB C 41.673 0.003 1 1543 151 151 LEU CG C 27.280 0.030 1 1544 151 151 LEU CD1 C 22.678 0.030 1 1545 151 151 LEU N N 119.786 0.055 1 1546 152 152 MET H H 7.995 0.003 1 1547 152 152 MET HA H 4.177 0.006 1 1548 152 152 MET HB2 H 2.712 0.002 2 1549 152 152 MET HB3 H 1.854 0.001 2 1550 152 152 MET HG2 H 2.943 0.002 2 1551 152 152 MET HG3 H 2.402 0.002 2 1552 152 152 MET C C 179.314 0.030 1 1553 152 152 MET CA C 62.247 0.037 1 1554 152 152 MET CB C 34.536 0.005 1 1555 152 152 MET CG C 36.061 0.003 1 1556 152 152 MET N N 118.075 0.065 1 1557 153 153 VAL H H 7.948 0.004 1 1558 153 153 VAL HA H 3.526 0.003 1 1559 153 153 VAL HB H 2.317 0.004 1 1560 153 153 VAL HG1 H 1.104 0.001 2 1561 153 153 VAL HG2 H 0.787 0.002 2 1562 153 153 VAL C C 180.134 0.030 1 1563 153 153 VAL CA C 67.122 0.010 1 1564 153 153 VAL CB C 31.555 0.030 1 1565 153 153 VAL CG1 C 22.340 0.030 2 1566 153 153 VAL CG2 C 20.466 0.030 2 1567 153 153 VAL N N 122.631 0.052 1 1568 154 154 LEU H H 8.910 0.002 1 1569 154 154 LEU HA H 3.742 0.001 1 1570 154 154 LEU HB2 H 2.181 0.002 2 1571 154 154 LEU HB3 H 1.442 0.003 2 1572 154 154 LEU HG H 0.796 0.002 1 1573 154 154 LEU C C 179.646 0.030 1 1574 154 154 LEU CA C 59.387 0.030 1 1575 154 154 LEU CB C 43.052 0.001 1 1576 154 154 LEU CG C 25.357 0.030 1 1577 154 154 LEU N N 124.685 0.021 1 1578 155 155 ILE H H 9.447 0.004 1 1579 155 155 ILE HA H 3.612 0.003 1 1580 155 155 ILE HB H 1.887 0.002 1 1581 155 155 ILE HG12 H 1.966 0.002 1 1582 155 155 ILE HG2 H 1.123 0.001 1 1583 155 155 ILE HD1 H 0.857 0.001 1 1584 155 155 ILE C C 179.643 0.030 1 1585 155 155 ILE CA C 66.310 0.030 1 1586 155 155 ILE CB C 39.900 0.030 1 1587 155 155 ILE CG1 C 30.236 0.030 1 1588 155 155 ILE CG2 C 17.975 0.030 1 1589 155 155 ILE CD1 C 14.447 0.030 1 1590 155 155 ILE N N 120.916 0.013 1 1591 156 156 GLN H H 7.783 0.005 1 1592 156 156 GLN HA H 4.056 0.002 1 1593 156 156 GLN HB2 H 2.288 0.002 1 1594 156 156 GLN C C 179.101 0.030 1 1595 156 156 GLN CA C 60.019 0.030 1 1596 156 156 GLN CB C 31.466 0.030 1 1597 156 156 GLN N N 116.928 0.055 1 1598 157 157 SER H H 7.643 0.004 1 1599 157 157 SER HA H 4.640 0.007 1 1600 157 157 SER HB2 H 4.052 0.002 1 1601 157 157 SER HB3 H 4.052 0.002 1 1602 157 157 SER C C 175.737 0.030 1 1603 157 157 SER CA C 59.712 0.030 1 1604 157 157 SER CB C 64.770 0.030 1 1605 157 157 SER N N 106.808 0.024 1 1606 158 158 THR H H 7.423 0.004 1 1607 158 158 THR HA H 4.277 0.004 1 1608 158 158 THR HB H 3.753 0.002 1 1609 158 158 THR HG2 H 1.254 0.004 1 1610 158 158 THR C C 173.203 0.030 1 1611 158 158 THR CA C 60.391 0.030 1 1612 158 158 THR CB C 69.764 0.030 1 1613 158 158 THR CG2 C 22.167 0.030 1 1614 158 158 THR N N 108.801 0.012 1 1615 159 159 SER H H 9.056 0.003 1 1616 159 159 SER HB2 H 3.615 0.002 1 1617 159 159 SER C C 172.540 0.030 1 1618 159 159 SER CA C 63.520 0.002 1 1619 159 159 SER CB C 63.066 0.030 1 1620 159 159 SER N N 119.531 0.010 1 1621 160 160 GLU H H 7.708 0.004 1 1622 160 160 GLU HA H 4.865 0.003 1 1623 160 160 GLU C C 175.643 0.030 1 1624 160 160 GLU CA C 58.102 0.002 1 1625 160 160 GLU CB C 26.150 0.030 1 1626 160 160 GLU CG C 34.176 0.030 1 1627 160 160 GLU N N 113.556 0.026 1 1628 161 161 ALA H H 6.479 0.006 1 1629 161 161 ALA HA H 4.113 0.002 1 1630 161 161 ALA HB H 1.311 0.003 1 1631 161 161 ALA C C 178.868 0.030 1 1632 161 161 ALA CA C 54.347 0.030 1 1633 161 161 ALA CB C 18.928 0.030 1 1634 161 161 ALA N N 120.122 0.058 1 1635 162 162 ALA H H 8.307 0.003 1 1636 162 162 ALA HA H 3.668 0.001 1 1637 162 162 ALA HB H 1.248 0.007 1 1638 162 162 ALA C C 177.794 0.030 1 1639 162 162 ALA CA C 54.144 0.030 1 1640 162 162 ALA CB C 17.311 0.030 1 1641 162 162 ALA N N 116.397 0.020 1 1642 163 163 ARG H H 7.495 0.003 1 1643 163 163 ARG HA H 3.613 0.011 1 1644 163 163 ARG HB2 H 0.964 0.002 1 1645 163 163 ARG HB3 H 0.964 0.002 1 1646 163 163 ARG C C 179.573 0.030 1 1647 163 163 ARG CA C 59.724 0.001 1 1648 163 163 ARG CB C 32.472 0.030 1 1649 163 163 ARG CG C 28.596 0.030 1 1650 163 163 ARG CD C 43.865 0.030 1 1651 163 163 ARG N N 115.188 0.052 1 1652 164 164 TYR H H 7.712 0.004 1 1653 164 164 TYR HA H 5.087 0.007 1 1654 164 164 TYR HB2 H 2.803 0.002 2 1655 164 164 TYR HB3 H 3.431 0.003 2 1656 164 164 TYR C C 175.928 0.030 1 1657 164 164 TYR CA C 57.429 0.030 1 1658 164 164 TYR CB C 41.082 0.009 1 1659 164 164 TYR N N 113.701 0.075 1 1660 165 165 LYS H H 9.462 0.009 1 1661 165 165 LYS C C 175.177 0.030 1 1662 165 165 LYS CA C 52.763 0.030 1 1663 165 165 LYS N N 125.845 0.078 1 1664 166 166 PHE H H 8.478 0.007 1 1665 166 166 PHE HA H 4.350 0.003 1 1666 166 166 PHE HB2 H 3.461 0.002 2 1667 166 166 PHE HB3 H 2.479 0.005 2 1668 166 166 PHE HD1 H 7.060 0.002 3 1669 166 166 PHE HD2 H 7.060 0.002 3 1670 166 166 PHE HE1 H 7.060 0.002 3 1671 166 166 PHE HE2 H 7.060 0.002 3 1672 166 166 PHE HZ H 7.060 0.002 1 1673 166 166 PHE CA C 61.522 0.001 1 1674 166 166 PHE CB C 41.864 0.005 1 1675 166 166 PHE N N 116.637 0.067 1 1676 167 167 ILE H H 6.859 0.005 1 1677 167 167 ILE HA H 3.356 0.002 1 1678 167 167 ILE HB H 2.221 0.002 1 1679 167 167 ILE HG12 H 1.919 0.001 1 1680 167 167 ILE HG2 H 0.937 0.001 1 1681 167 167 ILE HD1 H 1.144 0.001 1 1682 167 167 ILE C C 177.213 0.030 1 1683 167 167 ILE CA C 67.080 0.030 1 1684 167 167 ILE CB C 37.521 0.030 1 1685 167 167 ILE CG1 C 30.898 0.030 1 1686 167 167 ILE CG2 C 16.593 0.030 1 1687 167 167 ILE CD1 C 14.650 0.030 1 1688 167 167 ILE N N 115.818 0.058 1 1689 168 168 GLU H H 7.917 0.004 1 1690 168 168 GLU HA H 4.135 0.002 1 1691 168 168 GLU HG2 H 2.058 0.010 2 1692 168 168 GLU HG3 H 2.074 0.002 2 1693 168 168 GLU C C 176.645 0.030 1 1694 168 168 GLU CA C 59.840 0.002 1 1695 168 168 GLU CB C 28.800 0.030 1 1696 168 168 GLU CG C 33.775 0.001 1 1697 168 168 GLU N N 120.280 0.015 1 1698 169 169 GLN H H 8.403 0.005 1 1699 169 169 GLN HA H 3.956 0.006 1 1700 169 169 GLN HB2 H 2.134 0.007 2 1701 169 169 GLN HB3 H 2.014 0.005 2 1702 169 169 GLN HG2 H 2.342 0.005 2 1703 169 169 GLN HG3 H 2.577 0.004 2 1704 169 169 GLN HE21 H 7.601 0.002 1 1705 169 169 GLN HE22 H 6.833 0.005 1 1706 169 169 GLN C C 177.804 0.030 1 1707 169 169 GLN CA C 58.559 0.030 1 1708 169 169 GLN CB C 28.410 0.002 1 1709 169 169 GLN CG C 34.040 0.001 1 1710 169 169 GLN N N 115.028 0.053 1 1711 169 169 GLN NE2 N 110.835 0.054 1 1712 170 170 GLN H H 7.818 0.004 1 1713 170 170 GLN HA H 3.368 0.002 1 1714 170 170 GLN HB2 H 1.767 0.002 1 1715 170 170 GLN HB3 H 1.767 0.002 1 1716 170 170 GLN HG2 H 1.300 0.002 1 1717 170 170 GLN C C 179.371 0.030 1 1718 170 170 GLN CA C 58.226 0.030 1 1719 170 170 GLN CB C 28.236 0.030 1 1720 170 170 GLN CG C 33.877 0.030 1 1721 170 170 GLN N N 115.586 0.027 1 1722 171 171 ILE H H 8.218 0.006 1 1723 171 171 ILE HA H 3.761 0.001 1 1724 171 171 ILE HB H 1.947 0.002 1 1725 171 171 ILE HG12 H 2.125 0.002 2 1726 171 171 ILE HG13 H 1.111 0.001 2 1727 171 171 ILE HG2 H 0.561 0.001 1 1728 171 171 ILE HD1 H 0.929 0.001 1 1729 171 171 ILE C C 177.740 0.030 1 1730 171 171 ILE CA C 66.841 0.030 1 1731 171 171 ILE CB C 37.834 0.030 1 1732 171 171 ILE CG1 C 30.436 0.040 1 1733 171 171 ILE CG2 C 16.081 0.030 1 1734 171 171 ILE CD1 C 15.278 0.030 1 1735 171 171 ILE N N 118.411 0.068 1 1736 172 172 GLY H H 8.282 0.004 1 1737 172 172 GLY HA2 H 4.305 0.002 2 1738 172 172 GLY HA3 H 3.281 0.004 2 1739 172 172 GLY C C 177.634 0.030 1 1740 172 172 GLY CA C 47.088 0.003 1 1741 172 172 GLY N N 103.108 0.017 1 1742 173 173 LYS H H 7.012 0.003 1 1743 173 173 LYS HA H 4.136 0.005 1 1744 173 173 LYS HB2 H 1.886 0.002 2 1745 173 173 LYS HB3 H 1.679 0.001 2 1746 173 173 LYS HG2 H 1.470 0.002 1 1747 173 173 LYS HG3 H 1.470 0.002 1 1748 173 173 LYS HD2 H 1.526 0.002 1 1749 173 173 LYS HD3 H 1.526 0.002 1 1750 173 173 LYS HE2 H 2.856 0.002 1 1751 173 173 LYS HE3 H 2.856 0.002 1 1752 173 173 LYS C C 174.312 0.030 1 1753 173 173 LYS CA C 57.398 0.030 1 1754 173 173 LYS CB C 32.771 0.006 1 1755 173 173 LYS CG C 25.029 0.030 1 1756 173 173 LYS CD C 29.539 0.030 1 1757 173 173 LYS CE C 41.857 0.030 1 1758 173 173 LYS N N 114.955 0.011 1 1759 174 174 ARG H H 7.675 0.004 1 1760 174 174 ARG HA H 4.561 0.005 1 1761 174 174 ARG HB2 H 2.898 0.001 2 1762 174 174 ARG HB3 H 1.831 0.002 2 1763 174 174 ARG C C 177.252 0.030 1 1764 174 174 ARG CA C 56.815 0.030 1 1765 174 174 ARG CB C 28.839 0.007 1 1766 174 174 ARG CG C 30.270 0.030 1 1767 174 174 ARG N N 124.459 0.025 1 1768 175 175 VAL H H 7.963 0.004 1 1769 175 175 VAL HA H 3.990 0.013 1 1770 175 175 VAL HB H 2.098 0.001 1 1771 175 175 VAL HG1 H 1.104 0.006 2 1772 175 175 VAL HG2 H 1.067 0.003 2 1773 175 175 VAL C C 174.111 0.030 1 1774 175 175 VAL CA C 64.504 0.030 1 1775 175 175 VAL CB C 32.690 0.030 1 1776 175 175 VAL CG1 C 21.884 0.030 1 1777 175 175 VAL CG2 C 21.884 0.030 1 1778 175 175 VAL N N 122.112 0.062 1 1779 176 176 ASP H H 8.185 0.004 1 1780 176 176 ASP HA H 4.850 0.002 1 1781 176 176 ASP HB2 H 3.004 0.004 2 1782 176 176 ASP HB3 H 2.592 0.005 2 1783 176 176 ASP C C 176.356 0.030 1 1784 176 176 ASP CA C 52.631 0.030 1 1785 176 176 ASP CB C 41.411 0.001 1 1786 176 176 ASP N N 115.862 0.064 1 1787 177 177 LYS H H 7.304 0.004 1 1788 177 177 LYS HA H 4.843 0.010 1 1789 177 177 LYS HB2 H 2.119 0.003 2 1790 177 177 LYS HB3 H 1.832 0.002 2 1791 177 177 LYS HG2 H 1.831 0.002 1 1792 177 177 LYS HG3 H 1.831 0.002 1 1793 177 177 LYS HD2 H 1.553 0.002 2 1794 177 177 LYS HD3 H 1.415 0.004 2 1795 177 177 LYS HE2 H 3.098 0.002 1 1796 177 177 LYS HE3 H 3.098 0.002 1 1797 177 177 LYS C C 175.289 0.030 1 1798 177 177 LYS CA C 54.191 0.030 1 1799 177 177 LYS CB C 35.795 0.001 1 1800 177 177 LYS CG C 29.182 0.030 1 1801 177 177 LYS CD C 23.367 0.002 1 1802 177 177 LYS CE C 42.056 0.030 1 1803 177 177 LYS N N 117.334 0.039 1 1804 178 178 THR H H 7.956 0.004 1 1805 178 178 THR HA H 5.470 0.002 1 1806 178 178 THR HB H 4.491 0.001 1 1807 178 178 THR HG2 H 1.009 0.002 1 1808 178 178 THR C C 173.711 0.030 1 1809 178 178 THR CA C 59.613 0.030 1 1810 178 178 THR CB C 71.929 0.030 1 1811 178 178 THR CG2 C 22.142 0.030 1 1812 178 178 THR N N 105.354 0.062 1 1813 179 179 PHE H H 8.931 0.004 1 1814 179 179 PHE HA H 5.011 0.004 1 1815 179 179 PHE HB2 H 3.043 0.002 1 1816 179 179 PHE HB3 H 3.043 0.002 1 1817 179 179 PHE HD1 H 7.062 0.002 3 1818 179 179 PHE HD2 H 7.062 0.002 3 1819 179 179 PHE HE1 H 7.060 0.002 3 1820 179 179 PHE HE2 H 7.060 0.002 3 1821 179 179 PHE HZ H 7.060 0.002 1 1822 179 179 PHE C C 173.835 0.030 1 1823 179 179 PHE CA C 55.330 0.030 1 1824 179 179 PHE CB C 41.533 0.030 1 1825 179 179 PHE N N 117.290 0.033 1 1826 180 180 LEU H H 8.597 0.004 1 1827 180 180 LEU HA H 4.563 0.005 1 1828 180 180 LEU HB2 H 1.665 0.002 2 1829 180 180 LEU HB3 H 1.530 0.004 2 1830 180 180 LEU HG H 1.665 0.002 1 1831 180 180 LEU HD1 H 0.972 0.002 2 1832 180 180 LEU HD2 H 0.610 0.003 2 1833 180 180 LEU C C 171.968 0.030 1 1834 180 180 LEU CA C 51.068 0.030 1 1835 180 180 LEU CB C 40.245 0.002 1 1836 180 180 LEU CG C 26.505 0.030 1 1837 180 180 LEU CD1 C 25.066 0.030 2 1838 180 180 LEU CD2 C 22.485 0.030 2 1839 180 180 LEU N N 122.042 0.022 1 1840 181 181 PRO HA H 4.195 0.002 1 1841 181 181 PRO HB2 H 1.845 0.002 2 1842 181 181 PRO HB3 H 1.757 0.001 2 1843 181 181 PRO HG2 H 2.026 0.002 2 1844 181 181 PRO HG3 H 2.137 0.002 2 1845 181 181 PRO HD2 H 3.719 0.002 2 1846 181 181 PRO HD3 H 3.383 0.002 2 1847 181 181 PRO C C 174.996 0.030 1 1848 181 181 PRO CA C 62.993 0.030 1 1849 181 181 PRO CB C 32.122 0.030 1 1850 181 181 PRO CG C 28.257 0.030 1 1851 181 181 PRO CD C 50.473 0.030 1 1852 182 182 SER H H 7.241 0.004 1 1853 182 182 SER HA H 4.534 0.003 1 1854 182 182 SER HB2 H 4.253 0.004 2 1855 182 182 SER HB3 H 4.560 0.002 2 1856 182 182 SER C C 175.327 0.030 1 1857 182 182 SER CA C 56.204 0.009 1 1858 182 182 SER CB C 65.751 0.002 1 1859 182 182 SER N N 114.155 0.040 1 1860 183 183 LEU H H 8.993 0.006 1 1861 183 183 LEU HA H 3.991 0.002 1 1862 183 183 LEU HB2 H 1.422 0.001 2 1863 183 183 LEU HB3 H 1.888 0.002 2 1864 183 183 LEU HG H 1.829 0.002 1 1865 183 183 LEU HD1 H 0.887 0.002 2 1866 183 183 LEU HD2 H 0.949 0.005 2 1867 183 183 LEU C C 175.647 0.030 1 1868 183 183 LEU CA C 57.678 0.030 1 1869 183 183 LEU CB C 41.473 0.001 1 1870 183 183 LEU CG C 27.221 0.030 1 1871 183 183 LEU CD1 C 22.703 0.030 2 1872 183 183 LEU CD2 C 24.960 0.030 2 1873 183 183 LEU N N 119.646 0.042 1 1874 184 184 ALA H H 8.145 0.009 1 1875 184 184 ALA HA H 4.250 0.004 1 1876 184 184 ALA HB H 1.179 0.003 1 1877 184 184 ALA C C 179.518 0.030 1 1878 184 184 ALA CA C 54.906 0.030 1 1879 184 184 ALA CB C 18.324 0.030 1 1880 184 184 ALA N N 121.121 0.024 1 1881 185 185 ILE H H 7.309 0.006 1 1882 185 185 ILE HA H 3.493 0.003 1 1883 185 185 ILE HB H 2.191 0.002 1 1884 185 185 ILE HG12 H 1.099 0.002 2 1885 185 185 ILE HG13 H 2.138 0.002 2 1886 185 185 ILE HG2 H 0.840 0.001 1 1887 185 185 ILE HD1 H 1.116 0.002 1 1888 185 185 ILE C C 180.267 0.030 1 1889 185 185 ILE CA C 66.548 0.030 1 1890 185 185 ILE CB C 37.585 0.030 1 1891 185 185 ILE CG1 C 30.414 0.001 1 1892 185 185 ILE CG2 C 15.852 0.030 1 1893 185 185 ILE CD1 C 13.697 0.030 1 1894 185 185 ILE N N 117.263 0.059 1 1895 186 186 ILE H H 7.404 0.006 1 1896 186 186 ILE HA H 3.330 0.002 1 1897 186 186 ILE HB H 1.854 0.002 1 1898 186 186 ILE HG12 H 1.413 0.002 2 1899 186 186 ILE HG13 H 1.169 0.002 2 1900 186 186 ILE HG2 H 0.837 0.006 1 1901 186 186 ILE HD1 H 0.523 0.002 1 1902 186 186 ILE C C 177.000 0.030 1 1903 186 186 ILE CA C 63.549 0.030 1 1904 186 186 ILE CB C 37.235 0.030 1 1905 186 186 ILE CG1 C 28.771 0.002 1 1906 186 186 ILE CG2 C 17.823 0.030 1 1907 186 186 ILE CD1 C 11.132 0.030 1 1908 186 186 ILE N N 119.557 0.090 1 1909 187 187 SER H H 8.622 0.007 1 1910 187 187 SER HA H 4.236 0.002 1 1911 187 187 SER HB2 H 4.056 0.001 1 1912 187 187 SER HB3 H 4.056 0.001 1 1913 187 187 SER C C 177.661 0.030 1 1914 187 187 SER CA C 61.738 0.030 1 1915 187 187 SER CB C 63.451 0.030 1 1916 187 187 SER N N 113.790 0.060 1 1917 188 188 LEU H H 7.662 0.010 1 1918 188 188 LEU HA H 3.770 0.002 1 1919 188 188 LEU HB2 H 1.598 0.002 2 1920 188 188 LEU HB3 H -0.212 0.003 2 1921 188 188 LEU HG H 0.605 0.003 1 1922 188 188 LEU HD1 H 0.605 0.003 1 1923 188 188 LEU C C 178.317 0.030 1 1924 188 188 LEU CA C 58.166 0.030 1 1925 188 188 LEU CB C 39.749 0.030 1 1926 188 188 LEU CG C 26.526 0.030 1 1927 188 188 LEU CD1 C 21.619 0.030 1 1928 188 188 LEU N N 121.367 0.107 1 1929 189 189 GLU H H 7.964 0.002 1 1930 189 189 GLU HA H 3.987 0.002 1 1931 189 189 GLU HB2 H 1.629 0.001 2 1932 189 189 GLU HB3 H 1.574 0.002 2 1933 189 189 GLU HG2 H 1.701 0.002 2 1934 189 189 GLU HG3 H 1.831 0.001 2 1935 189 189 GLU C C 180.968 0.030 1 1936 189 189 GLU CA C 59.036 0.030 1 1937 189 189 GLU CB C 28.003 0.001 1 1938 189 189 GLU CG C 31.176 0.001 1 1939 189 189 GLU N N 119.278 0.013 1 1940 190 190 ASN H H 8.580 0.004 1 1941 190 190 ASN HA H 4.808 0.001 1 1942 190 190 ASN HB2 H 3.211 0.005 2 1943 190 190 ASN HB3 H 3.052 0.002 2 1944 190 190 ASN C C 179.810 0.030 1 1945 190 190 ASN CA C 54.787 0.011 1 1946 190 190 ASN CB C 38.253 0.003 1 1947 190 190 ASN N N 115.613 0.042 1 1948 191 191 SER H H 7.912 0.003 1 1949 191 191 SER HA H 4.974 0.006 1 1950 191 191 SER HB2 H 4.129 0.002 2 1951 191 191 SER HB3 H 3.831 0.002 2 1952 191 191 SER C C 178.133 0.030 1 1953 191 191 SER CA C 59.406 0.030 1 1954 191 191 SER CB C 64.218 0.001 1 1955 191 191 SER N N 113.002 0.018 1 1956 192 192 TRP H H 7.521 0.002 1 1957 192 192 TRP HA H 4.916 0.002 1 1958 192 192 TRP HB2 H 3.791 0.002 2 1959 192 192 TRP HB3 H 3.732 0.001 2 1960 192 192 TRP HD1 H 6.738 0.003 1 1961 192 192 TRP HE1 H 10.006 0.001 1 1962 192 192 TRP C C 173.113 0.030 1 1963 192 192 TRP CA C 62.524 0.030 1 1964 192 192 TRP CB C 29.201 0.004 1 1965 192 192 TRP CD1 C 117.829 0.030 1 1966 192 192 TRP N N 123.108 0.008 1 1967 192 192 TRP NE1 N 128.388 0.030 1 1968 193 193 SER H H 9.157 0.002 1 1969 193 193 SER HA H 4.009 0.002 1 1970 193 193 SER C C 178.915 0.030 1 1971 193 193 SER CA C 62.561 0.030 1 1972 193 193 SER CB C 62.319 0.030 1 1973 193 193 SER N N 115.163 0.012 1 1974 194 194 ALA H H 8.288 0.004 1 1975 194 194 ALA HA H 4.120 0.002 1 1976 194 194 ALA HB H 1.573 0.001 1 1977 194 194 ALA C C 176.257 0.030 1 1978 194 194 ALA CA C 55.476 0.006 1 1979 194 194 ALA CB C 18.558 0.030 1 1980 194 194 ALA N N 124.959 0.099 1 1981 195 195 LEU H H 9.050 0.004 1 1982 195 195 LEU HA H 3.894 0.002 1 1983 195 195 LEU HB2 H 1.829 0.002 2 1984 195 195 LEU HB3 H 1.728 0.002 2 1985 195 195 LEU HG H 1.804 0.001 1 1986 195 195 LEU HD1 H 1.145 0.002 2 1987 195 195 LEU HD2 H 1.180 0.002 2 1988 195 195 LEU C C 180.864 0.030 1 1989 195 195 LEU CA C 57.867 0.030 1 1990 195 195 LEU CB C 42.752 0.001 1 1991 195 195 LEU CG C 27.619 0.030 1 1992 195 195 LEU CD1 C 25.553 0.030 2 1993 195 195 LEU CD2 C 24.756 0.030 2 1994 195 195 LEU N N 117.903 0.016 1 1995 196 196 SER H H 8.090 0.003 1 1996 196 196 SER C C 178.167 0.030 1 1997 196 196 SER CA C 62.423 0.030 1 1998 196 196 SER N N 112.734 0.020 1 1999 197 197 LYS H H 8.020 0.003 1 2000 197 197 LYS HA H 3.738 0.003 1 2001 197 197 LYS HB2 H 1.957 0.002 2 2002 197 197 LYS HB3 H 1.878 0.001 2 2003 197 197 LYS HG2 H 1.696 0.002 1 2004 197 197 LYS HG3 H 1.696 0.002 1 2005 197 197 LYS HD2 H 1.327 0.001 2 2006 197 197 LYS HD3 H 1.223 0.002 2 2007 197 197 LYS HE2 H 2.895 0.002 1 2008 197 197 LYS HE3 H 2.895 0.002 1 2009 197 197 LYS C C 176.918 0.030 1 2010 197 197 LYS CA C 60.079 0.030 1 2011 197 197 LYS CB C 32.355 0.030 1 2012 197 197 LYS CG C 29.559 0.030 1 2013 197 197 LYS CD C 25.313 0.003 1 2014 197 197 LYS CE C 42.303 0.030 1 2015 197 197 LYS N N 122.069 0.026 1 2016 198 198 GLN H H 7.268 0.007 1 2017 198 198 GLN HA H 3.902 0.004 1 2018 198 198 GLN HB2 H 1.178 0.002 1 2019 198 198 GLN HB3 H 1.178 0.002 1 2020 198 198 GLN HG2 H 1.809 0.002 1 2021 198 198 GLN HG3 H 1.809 0.002 1 2022 198 198 GLN C C 178.491 0.030 1 2023 198 198 GLN CA C 57.672 0.030 1 2024 198 198 GLN CB C 24.661 0.030 1 2025 198 198 GLN CG C 27.691 0.030 1 2026 198 198 GLN N N 115.051 0.022 1 2027 199 199 ILE H H 8.111 0.004 1 2028 199 199 ILE HA H 3.426 0.005 1 2029 199 199 ILE HB H 1.842 0.002 1 2030 199 199 ILE HG12 H 1.105 0.002 1 2031 199 199 ILE HG2 H 1.023 0.003 1 2032 199 199 ILE HD1 H 0.965 0.002 1 2033 199 199 ILE C C 177.941 0.030 1 2034 199 199 ILE CA C 66.274 0.030 1 2035 199 199 ILE CB C 38.282 0.030 1 2036 199 199 ILE CG1 C 30.452 0.030 1 2037 199 199 ILE CG2 C 17.778 0.030 1 2038 199 199 ILE CD1 C 16.740 0.030 1 2039 199 199 ILE N N 120.136 0.021 1 2040 200 200 GLN H H 7.529 0.005 1 2041 200 200 GLN HA H 3.911 0.010 1 2042 200 200 GLN HB2 H 2.091 0.002 2 2043 200 200 GLN HB3 H 2.226 0.003 2 2044 200 200 GLN HG2 H 2.110 0.002 1 2045 200 200 GLN HE21 H 6.443 0.002 1 2046 200 200 GLN HE22 H 6.986 0.003 1 2047 200 200 GLN C C 177.140 0.030 1 2048 200 200 GLN CA C 60.124 0.030 1 2049 200 200 GLN CB C 28.753 0.001 1 2050 200 200 GLN CG C 36.565 0.030 1 2051 200 200 GLN N N 116.460 0.017 1 2052 200 200 GLN NE2 N 111.148 0.008 1 2053 201 201 ILE H H 8.317 0.006 1 2054 201 201 ILE HA H 3.672 0.002 1 2055 201 201 ILE HB H 1.834 0.001 1 2056 201 201 ILE HG12 H 1.694 0.002 2 2057 201 201 ILE HG13 H 1.031 0.002 2 2058 201 201 ILE HG2 H 0.969 0.004 1 2059 201 201 ILE HD1 H 0.816 0.005 1 2060 201 201 ILE C C 180.246 0.030 1 2061 201 201 ILE CA C 65.763 0.030 1 2062 201 201 ILE CB C 38.643 0.030 1 2063 201 201 ILE CG1 C 29.719 0.001 1 2064 201 201 ILE CG2 C 16.959 0.030 1 2065 201 201 ILE CD1 C 14.386 0.030 1 2066 201 201 ILE N N 124.588 0.052 1 2067 202 202 ALA H H 9.100 0.006 1 2068 202 202 ALA HA H 4.195 0.002 1 2069 202 202 ALA HB H 1.498 0.002 1 2070 202 202 ALA C C 178.493 0.030 1 2071 202 202 ALA CA C 55.072 0.030 1 2072 202 202 ALA CB C 19.209 0.030 1 2073 202 202 ALA N N 123.446 0.016 1 2074 203 203 SER H H 7.784 0.004 1 2075 203 203 SER HA H 4.798 0.004 1 2076 203 203 SER HB2 H 4.058 0.001 2 2077 203 203 SER HB3 H 4.126 0.001 2 2078 203 203 SER C C 181.052 0.030 1 2079 203 203 SER CA C 61.945 0.030 1 2080 203 203 SER CB C 63.682 0.030 1 2081 203 203 SER N N 113.560 0.032 1 2082 204 204 THR H H 7.719 0.006 1 2083 204 204 THR HA H 4.853 0.007 1 2084 204 204 THR HB H 4.709 0.002 1 2085 204 204 THR HG2 H 1.237 0.002 1 2086 204 204 THR C C 176.597 0.030 1 2087 204 204 THR CA C 61.253 0.030 1 2088 204 204 THR CB C 68.971 0.030 1 2089 204 204 THR CG2 C 21.440 0.030 1 2090 204 204 THR N N 111.696 0.023 1 2091 205 205 ASN H H 8.135 0.003 1 2092 205 205 ASN HA H 5.256 0.002 1 2093 205 205 ASN HB2 H 3.133 0.002 2 2094 205 205 ASN HB3 H 2.480 0.002 2 2095 205 205 ASN HD21 H 7.363 0.008 1 2096 205 205 ASN HD22 H 6.957 0.002 1 2097 205 205 ASN C C 173.664 0.030 1 2098 205 205 ASN CA C 52.511 0.030 1 2099 205 205 ASN CB C 41.242 0.002 1 2100 205 205 ASN N N 122.281 0.017 1 2101 205 205 ASN ND2 N 111.625 0.058 1 2102 206 206 ASN H H 9.154 0.004 1 2103 206 206 ASN HA H 4.525 0.002 1 2104 206 206 ASN HB2 H 3.178 0.003 2 2105 206 206 ASN HB3 H 2.813 0.002 2 2106 206 206 ASN C C 176.409 0.030 1 2107 206 206 ASN CA C 54.712 0.030 1 2108 206 206 ASN CB C 37.716 0.005 1 2109 206 206 ASN N N 117.510 0.068 1 2110 207 207 GLY H H 8.573 0.002 1 2111 207 207 GLY HA2 H 4.389 0.002 2 2112 207 207 GLY HA3 H 3.582 0.002 2 2113 207 207 GLY C C 175.282 0.030 1 2114 207 207 GLY CA C 46.566 0.003 1 2115 207 207 GLY N N 104.763 0.027 1 2116 208 208 GLN H H 7.599 0.006 1 2117 208 208 GLN HA H 4.542 0.005 1 2118 208 208 GLN HB2 H 2.300 0.002 2 2119 208 208 GLN HB3 H 2.229 0.002 2 2120 208 208 GLN HG2 H 2.555 0.002 2 2121 208 208 GLN HG3 H 2.459 0.002 2 2122 208 208 GLN HE21 H 7.678 0.006 1 2123 208 208 GLN HE22 H 6.934 0.008 1 2124 208 208 GLN C C 173.138 0.030 1 2125 208 208 GLN CA C 54.448 0.030 1 2126 208 208 GLN CB C 29.559 0.002 1 2127 208 208 GLN CG C 33.355 0.030 1 2128 208 208 GLN N N 117.962 0.045 1 2129 208 208 GLN NE2 N 113.382 0.071 1 2130 209 209 PHE H H 8.391 0.003 1 2131 209 209 PHE HA H 4.549 0.002 1 2132 209 209 PHE HB2 H 3.400 0.004 2 2133 209 209 PHE HB3 H 2.813 0.006 2 2134 209 209 PHE HD1 H 7.149 0.002 3 2135 209 209 PHE HD2 H 7.149 0.002 3 2136 209 209 PHE HE1 H 7.386 0.001 3 2137 209 209 PHE HE2 H 7.386 0.001 3 2138 209 209 PHE HZ H 6.731 0.004 1 2139 209 209 PHE C C 176.234 0.030 1 2140 209 209 PHE CA C 55.107 0.030 1 2141 209 209 PHE CB C 36.125 0.005 1 2142 209 209 PHE CD1 C 128.680 0.030 3 2143 209 209 PHE CD2 C 128.680 0.030 3 2144 209 209 PHE CE1 C 130.338 0.030 3 2145 209 209 PHE CE2 C 130.338 0.030 3 2146 209 209 PHE CZ C 120.623 0.030 1 2147 209 209 PHE N N 123.016 0.020 1 2148 210 210 GLU H H 8.253 0.003 1 2149 210 210 GLU HA H 4.296 0.004 1 2150 210 210 GLU HB2 H 2.298 0.002 2 2151 210 210 GLU HB3 H 2.170 0.002 2 2152 210 210 GLU HG2 H 2.251 0.002 2 2153 210 210 GLU HG3 H 2.315 0.002 2 2154 210 210 GLU C C 176.746 0.030 1 2155 210 210 GLU CA C 58.821 0.030 1 2156 210 210 GLU CB C 31.499 0.004 1 2157 210 210 GLU CG C 37.047 0.030 1 2158 210 210 GLU N N 122.841 0.029 1 2159 211 211 THR H H 7.681 0.002 1 2160 211 211 THR HA H 4.757 0.004 1 2161 211 211 THR HB H 3.813 0.002 1 2162 211 211 THR HG2 H 1.347 0.002 1 2163 211 211 THR C C 176.755 0.030 1 2164 211 211 THR CA C 59.164 0.030 1 2165 211 211 THR CB C 71.653 0.030 1 2166 211 211 THR CG2 C 21.488 0.030 1 2167 211 211 THR N N 116.043 0.040 1 2168 212 212 PRO HA H 4.690 0.001 1 2169 212 212 PRO HB2 H 2.097 0.002 2 2170 212 212 PRO HB3 H 1.682 0.002 2 2171 212 212 PRO HG2 H 2.067 0.002 2 2172 212 212 PRO HG3 H 1.903 0.002 2 2173 212 212 PRO HD2 H 3.905 0.002 2 2174 212 212 PRO HD3 H 3.694 0.002 2 2175 212 212 PRO C C 171.024 0.030 1 2176 212 212 PRO CA C 62.850 0.001 1 2177 212 212 PRO CB C 33.267 0.001 1 2178 212 212 PRO CG C 27.427 0.030 1 2179 212 212 PRO CD C 51.404 0.002 1 2180 213 213 VAL H H 8.578 0.006 1 2181 213 213 VAL HA H 4.364 0.001 1 2182 213 213 VAL HB H 1.966 0.002 1 2183 213 213 VAL HG1 H 1.001 0.002 1 2184 213 213 VAL HG2 H 1.001 0.002 1 2185 213 213 VAL C C 176.432 0.030 1 2186 213 213 VAL CA C 61.373 0.030 1 2187 213 213 VAL CB C 35.331 0.030 1 2188 213 213 VAL CG1 C 21.778 0.030 1 2189 213 213 VAL CG2 C 21.778 0.030 1 2190 213 213 VAL N N 122.093 0.044 1 2191 214 214 VAL H H 8.686 0.006 1 2192 214 214 VAL HA H 4.844 0.003 1 2193 214 214 VAL HB H 1.929 0.004 1 2194 214 214 VAL HG1 H 0.936 0.002 2 2195 214 214 VAL HG2 H 0.824 0.002 2 2196 214 214 VAL C C 174.392 0.030 1 2197 214 214 VAL CA C 61.990 0.030 1 2198 214 214 VAL CB C 32.114 0.030 1 2199 214 214 VAL CG1 C 21.163 0.030 1 2200 214 214 VAL CG2 C 21.164 0.030 1 2201 214 214 VAL N N 128.397 0.031 1 2202 215 215 LEU H H 8.898 0.006 1 2203 215 215 LEU HA H 4.663 0.007 1 2204 215 215 LEU HB2 H 1.438 0.002 2 2205 215 215 LEU HB3 H 1.396 0.002 2 2206 215 215 LEU HG H 0.878 0.003 1 2207 215 215 LEU HD1 H 0.878 0.004 1 2208 215 215 LEU C C 175.776 0.030 1 2209 215 215 LEU CA C 52.565 0.030 1 2210 215 215 LEU CB C 45.353 0.001 1 2211 215 215 LEU CG C 26.769 0.030 1 2212 215 215 LEU CD1 C 23.671 0.030 1 2213 215 215 LEU N N 127.377 0.054 1 2214 216 216 ILE H H 7.559 0.008 1 2215 216 216 ILE HA H 4.736 0.002 1 2216 216 216 ILE HB H 1.519 0.002 1 2217 216 216 ILE HG12 H 1.395 0.002 2 2218 216 216 ILE HG13 H 1.166 0.002 2 2219 216 216 ILE HG2 H 0.892 0.009 1 2220 216 216 ILE HD1 H 0.711 0.002 1 2221 216 216 ILE C C 174.596 0.030 1 2222 216 216 ILE CA C 58.749 0.030 1 2223 216 216 ILE CB C 38.070 0.030 1 2224 216 216 ILE CG1 C 27.489 0.003 1 2225 216 216 ILE CG2 C 17.950 0.030 1 2226 216 216 ILE CD1 C 11.403 0.030 1 2227 216 216 ILE N N 119.189 0.024 1 2228 217 217 ASN H H 8.775 0.009 1 2229 217 217 ASN HA H 4.668 0.004 1 2230 217 217 ASN HB2 H 3.576 0.002 2 2231 217 217 ASN HB3 H 2.672 0.001 2 2232 217 217 ASN C C 176.211 0.030 1 2233 217 217 ASN CA C 50.805 0.030 1 2234 217 217 ASN CB C 39.262 0.001 1 2235 217 217 ASN N N 124.022 0.054 1 2236 218 218 ALA HA H 4.095 0.002 1 2237 218 218 ALA HB H 1.449 0.003 1 2238 218 218 ALA C C 177.495 0.030 1 2239 218 218 ALA CA C 54.622 0.004 1 2240 218 218 ALA CB C 18.214 0.001 1 2241 219 219 GLN H H 7.475 0.004 1 2242 219 219 GLN HA H 4.454 0.003 1 2243 219 219 GLN HB2 H 2.388 0.001 2 2244 219 219 GLN HB3 H 1.927 0.001 2 2245 219 219 GLN HG2 H 2.414 0.005 2 2246 219 219 GLN HG3 H 2.267 0.001 2 2247 219 219 GLN HE21 H 7.485 0.004 1 2248 219 219 GLN HE22 H 6.800 0.006 1 2249 219 219 GLN C C 177.763 0.030 1 2250 219 219 GLN CA C 55.939 0.030 1 2251 219 219 GLN CB C 28.025 0.002 1 2252 219 219 GLN CG C 34.881 0.002 1 2253 219 219 GLN N N 116.044 0.064 1 2254 219 219 GLN NE2 N 111.967 0.084 1 2255 220 220 ASN H H 8.278 0.004 1 2256 220 220 ASN HA H 4.209 0.003 1 2257 220 220 ASN HB2 H 3.126 0.002 2 2258 220 220 ASN HB3 H 3.044 0.001 2 2259 220 220 ASN HD21 H 6.806 0.003 1 2260 220 220 ASN HD22 H 7.545 0.001 1 2261 220 220 ASN C C 175.122 0.030 1 2262 220 220 ASN CA C 54.718 0.030 1 2263 220 220 ASN CB C 36.777 0.001 1 2264 220 220 ASN N N 113.201 0.040 1 2265 220 220 ASN ND2 N 112.579 0.006 1 2266 221 221 GLN H H 7.894 0.003 1 2267 221 221 GLN HA H 4.503 0.007 1 2268 221 221 GLN HB2 H 1.955 0.007 2 2269 221 221 GLN HB3 H 1.877 0.001 2 2270 221 221 GLN HG2 H 2.284 0.001 1 2271 221 221 GLN HG3 H 2.284 0.001 1 2272 221 221 GLN HE21 H 6.869 0.004 1 2273 221 221 GLN HE22 H 7.458 0.001 1 2274 221 221 GLN C C 174.253 0.030 1 2275 221 221 GLN CA C 53.770 0.005 1 2276 221 221 GLN CB C 29.846 0.004 1 2277 221 221 GLN CG C 33.322 0.030 1 2278 221 221 GLN N N 117.178 0.047 1 2279 221 221 GLN NE2 N 112.620 0.009 1 2280 222 222 ARG H H 8.500 0.005 1 2281 222 222 ARG HA H 4.682 0.004 1 2282 222 222 ARG HB2 H 1.655 0.002 1 2283 222 222 ARG HG2 H 1.590 0.001 2 2284 222 222 ARG HG3 H 1.406 0.001 2 2285 222 222 ARG HD2 H 3.163 0.001 2 2286 222 222 ARG HD3 H 3.126 0.002 2 2287 222 222 ARG C C 175.110 0.030 1 2288 222 222 ARG CA C 56.522 0.005 1 2289 222 222 ARG CB C 30.680 0.030 1 2290 222 222 ARG CG C 28.057 0.005 1 2291 222 222 ARG CD C 43.617 0.001 1 2292 222 222 ARG N N 122.487 0.034 1 2293 223 223 VAL H H 9.292 0.004 1 2294 223 223 VAL HA H 4.514 0.006 1 2295 223 223 VAL HB H 1.969 0.004 1 2296 223 223 VAL HG1 H 0.838 0.002 2 2297 223 223 VAL HG2 H 0.882 0.002 2 2298 223 223 VAL C C 176.460 0.030 1 2299 223 223 VAL CA C 60.245 0.010 1 2300 223 223 VAL CB C 34.967 0.030 1 2301 223 223 VAL CG1 C 19.897 0.030 2 2302 223 223 VAL CG2 C 21.647 0.030 2 2303 223 223 VAL N N 123.800 0.068 1 2304 224 224 THR H H 8.533 0.004 1 2305 224 224 THR HA H 4.600 0.001 1 2306 224 224 THR HB H 3.944 0.002 1 2307 224 224 THR HG2 H 1.043 0.003 1 2308 224 224 THR C C 173.714 0.030 1 2309 224 224 THR CA C 62.310 0.030 1 2310 224 224 THR CB C 69.130 0.030 1 2311 224 224 THR CG2 C 22.596 0.030 1 2312 224 224 THR N N 119.543 0.046 1 2313 225 225 ILE H H 9.668 0.006 1 2314 225 225 ILE HA H 4.266 0.007 1 2315 225 225 ILE HB H 2.329 0.002 1 2316 225 225 ILE HG12 H 1.810 0.001 2 2317 225 225 ILE HG13 H 1.270 0.002 2 2318 225 225 ILE HG2 H 0.787 0.002 1 2319 225 225 ILE HD1 H 0.723 0.002 1 2320 225 225 ILE C C 173.748 0.030 1 2321 225 225 ILE CA C 58.957 0.004 1 2322 225 225 ILE CB C 36.775 0.030 1 2323 225 225 ILE CG1 C 26.907 0.030 1 2324 225 225 ILE CG2 C 18.922 0.030 1 2325 225 225 ILE CD1 C 10.316 0.030 1 2326 225 225 ILE N N 129.889 0.031 1 2327 226 226 THR H H 8.569 0.003 1 2328 226 226 THR HA H 4.202 0.006 1 2329 226 226 THR HB H 4.434 0.002 1 2330 226 226 THR HG2 H 1.030 0.003 1 2331 226 226 THR C C 176.349 0.030 1 2332 226 226 THR CA C 61.369 0.030 1 2333 226 226 THR CB C 70.532 0.030 1 2334 226 226 THR CG2 C 21.692 0.030 1 2335 226 226 THR N N 112.850 0.047 1 2336 227 227 ASN H H 6.840 0.007 1 2337 227 227 ASN HA H 4.550 0.004 1 2338 227 227 ASN HB2 H 2.903 0.002 2 2339 227 227 ASN HB3 H 3.082 0.001 2 2340 227 227 ASN HD21 H 6.762 0.001 1 2341 227 227 ASN HD22 H 7.343 0.001 1 2342 227 227 ASN C C 173.342 0.030 1 2343 227 227 ASN CA C 52.858 0.030 1 2344 227 227 ASN CB C 39.956 0.002 1 2345 227 227 ASN N N 116.144 0.076 1 2346 227 227 ASN ND2 N 114.746 0.004 1 2347 228 228 VAL H H 7.442 0.004 1 2348 228 228 VAL HA H 3.908 0.002 1 2349 228 228 VAL HB H 1.947 0.002 1 2350 228 228 VAL HG1 H 0.757 0.002 2 2351 228 228 VAL HG2 H 0.655 0.002 2 2352 228 228 VAL C C 173.690 0.030 1 2353 228 228 VAL CA C 62.375 0.001 1 2354 228 228 VAL CB C 30.658 0.030 1 2355 228 228 VAL CG1 C 21.714 0.030 2 2356 228 228 VAL CG2 C 17.244 0.030 2 2357 228 228 VAL N N 105.661 0.014 1 2358 229 229 ASP H H 8.161 0.003 1 2359 229 229 ASP HA H 4.604 0.004 1 2360 229 229 ASP HB2 H 2.672 0.002 2 2361 229 229 ASP HB3 H 2.484 0.003 2 2362 229 229 ASP C C 174.729 0.030 1 2363 229 229 ASP CA C 54.167 0.030 1 2364 229 229 ASP CB C 40.418 0.002 1 2365 229 229 ASP N N 119.830 0.026 1 2366 230 230 ALA H H 7.072 0.003 1 2367 230 230 ALA HA H 4.300 0.001 1 2368 230 230 ALA HB H 1.617 0.002 1 2369 230 230 ALA C C 176.401 0.030 1 2370 230 230 ALA CA C 52.203 0.030 1 2371 230 230 ALA CB C 21.150 0.030 1 2372 230 230 ALA N N 122.404 0.020 1 2373 232 232 VAL HA H 4.375 0.002 1 2374 232 232 VAL HB H 2.231 0.002 1 2375 232 232 VAL HG1 H 1.092 0.002 1 2376 232 232 VAL CA C 63.534 0.014 1 2377 232 232 VAL CB C 32.651 0.030 1 2378 232 232 VAL CG1 C 22.807 0.030 1 2379 233 233 VAL H H 7.572 0.008 1 2380 233 233 VAL HA H 4.058 0.002 1 2381 233 233 VAL HB H 2.447 0.002 1 2382 233 233 VAL HG1 H 1.069 0.002 2 2383 233 233 VAL HG2 H 0.941 0.002 2 2384 233 233 VAL C C 175.012 0.030 1 2385 233 233 VAL CA C 65.145 0.030 1 2386 233 233 VAL CB C 31.708 0.030 1 2387 233 233 VAL CG1 C 22.973 0.030 2 2388 233 233 VAL CG2 C 21.713 0.030 2 2389 233 233 VAL N N 119.171 0.037 1 2390 234 234 THR H H 8.304 0.004 1 2391 234 234 THR HA H 4.269 0.002 1 2392 234 234 THR HB H 4.398 0.002 1 2393 234 234 THR HG2 H 1.328 0.002 1 2394 234 234 THR C C 178.552 0.030 1 2395 234 234 THR CA C 64.110 0.030 1 2396 234 234 THR CB C 70.087 0.030 1 2397 234 234 THR CG2 C 21.714 0.030 1 2398 234 234 THR N N 111.221 0.020 1 2399 235 235 SER H H 8.394 0.001 1 2400 235 235 SER HA H 4.968 0.006 1 2401 235 235 SER HB2 H 3.985 0.002 2 2402 235 235 SER HB3 H 3.921 0.001 2 2403 235 235 SER C C 177.718 0.030 1 2404 235 235 SER CA C 57.370 0.018 1 2405 235 235 SER CB C 64.063 0.001 1 2406 235 235 SER N N 114.861 0.006 1 2407 236 236 ASN H H 9.001 0.004 1 2408 236 236 ASN HA H 4.985 0.002 1 2409 236 236 ASN C C 174.249 0.030 1 2410 236 236 ASN CA C 55.926 0.001 1 2411 236 236 ASN N N 118.785 0.021 1 2412 237 237 ILE H H 8.725 0.010 1 2413 237 237 ILE HA H 4.433 0.001 1 2414 237 237 ILE HB H 1.931 0.009 1 2415 237 237 ILE HG12 H 1.346 0.002 2 2416 237 237 ILE HG13 H 1.743 0.003 2 2417 237 237 ILE HG2 H 1.345 0.002 1 2418 237 237 ILE HD1 H 1.112 0.002 1 2419 237 237 ILE CA C 64.503 0.005 1 2420 237 237 ILE CB C 38.949 0.030 1 2421 237 237 ILE CG1 C 30.358 0.005 1 2422 237 237 ILE CG2 C 17.522 0.030 1 2423 237 237 ILE CD1 C 15.159 0.030 1 2424 237 237 ILE N N 123.211 0.059 1 2425 238 238 ALA H H 9.070 0.005 1 2426 238 238 ALA HA H 4.744 0.003 1 2427 238 238 ALA HB H 1.438 0.002 1 2428 238 238 ALA C C 174.715 0.030 1 2429 238 238 ALA CA C 51.972 0.030 1 2430 238 238 ALA CB C 20.990 0.030 1 2431 238 238 ALA N N 126.953 0.065 1 2432 239 239 LEU H H 7.244 0.004 1 2433 239 239 LEU HA H 4.735 0.002 1 2434 239 239 LEU HB2 H 1.706 0.002 2 2435 239 239 LEU HB3 H 1.455 0.001 2 2436 239 239 LEU HG H 0.689 0.001 1 2437 239 239 LEU HD1 H 1.134 0.003 1 2438 239 239 LEU C C 176.619 0.030 1 2439 239 239 LEU CA C 54.524 0.030 1 2440 239 239 LEU CB C 50.296 0.003 1 2441 239 239 LEU CG C 29.020 0.030 1 2442 239 239 LEU CD1 C 23.375 0.030 1 2443 239 239 LEU N N 115.089 0.023 1 2444 240 240 LEU H H 8.591 0.003 1 2445 240 240 LEU HA H 5.029 0.002 1 2446 240 240 LEU HB2 H 1.861 0.001 2 2447 240 240 LEU HB3 H 0.868 0.001 2 2448 240 240 LEU HG H 0.885 0.002 1 2449 240 240 LEU HD1 H 0.750 0.001 1 2450 240 240 LEU C C 175.316 0.030 1 2451 240 240 LEU CA C 50.910 0.030 1 2452 240 240 LEU CB C 44.278 0.030 1 2453 240 240 LEU CG C 27.482 0.030 1 2454 240 240 LEU CD1 C 24.099 0.030 1 2455 240 240 LEU N N 119.833 0.028 1 2456 241 241 PRO HA H 4.608 0.002 1 2457 241 241 PRO HB2 H 1.845 0.001 1 2458 241 241 PRO HB3 H 1.845 0.001 1 2459 241 241 PRO HD2 H 3.128 0.002 2 2460 241 241 PRO HD3 H 2.401 0.002 2 2461 241 241 PRO C C 173.556 0.030 1 2462 241 241 PRO CA C 61.711 0.009 1 2463 241 241 PRO CB C 31.142 0.001 1 2464 241 241 PRO CG C 24.868 0.030 1 2465 241 241 PRO CD C 48.382 0.030 1 2466 242 242 ASN H H 9.076 0.005 1 2467 242 242 ASN HA H 4.317 0.003 1 2468 242 242 ASN HB2 H 2.535 0.005 2 2469 242 242 ASN HB3 H 2.702 0.004 2 2470 242 242 ASN HD21 H 8.005 0.002 1 2471 242 242 ASN HD22 H 7.042 0.001 1 2472 242 242 ASN C C 175.050 0.030 1 2473 242 242 ASN CA C 53.894 0.001 1 2474 242 242 ASN CB C 39.615 0.001 1 2475 242 242 ASN N N 120.925 0.033 1 2476 242 242 ASN ND2 N 114.051 0.020 1 2477 243 243 ARG H H 8.806 0.006 1 2478 243 243 ARG HA H 4.221 0.009 1 2479 243 243 ARG HB2 H 1.738 0.002 2 2480 243 243 ARG HB3 H 1.822 0.002 2 2481 243 243 ARG HG2 H 1.678 0.002 2 2482 243 243 ARG HG3 H 1.569 0.002 2 2483 243 243 ARG HD2 H 3.102 0.002 1 2484 243 243 ARG HD3 H 3.102 0.002 1 2485 243 243 ARG C C 176.924 0.030 1 2486 243 243 ARG CA C 57.556 0.030 1 2487 243 243 ARG CB C 30.071 0.002 1 2488 243 243 ARG CG C 26.387 0.004 1 2489 243 243 ARG CD C 43.641 0.030 1 2490 243 243 ARG N N 124.592 0.054 1 2491 244 244 ASN H H 8.829 0.008 1 2492 244 244 ASN HA H 4.651 0.011 1 2493 244 244 ASN HB2 H 2.820 0.002 2 2494 244 244 ASN HB3 H 2.690 0.002 2 2495 244 244 ASN HD21 H 7.557 0.006 1 2496 244 244 ASN HD22 H 6.899 0.007 1 2497 244 244 ASN C C 176.647 0.030 1 2498 244 244 ASN CA C 54.355 0.014 1 2499 244 244 ASN CB C 38.482 0.005 1 2500 244 244 ASN N N 118.122 0.064 1 2501 244 244 ASN ND2 N 112.738 0.093 1 2502 245 245 ASN H H 8.032 0.006 1 2503 245 245 ASN HA H 4.828 0.015 1 2504 245 245 ASN HB2 H 2.953 0.001 2 2505 245 245 ASN HB3 H 2.737 0.004 2 2506 245 245 ASN HD21 H 7.230 0.003 1 2507 245 245 ASN HD22 H 7.599 0.001 1 2508 245 245 ASN C C 175.287 0.030 1 2509 245 245 ASN CA C 53.317 0.009 1 2510 245 245 ASN CB C 39.314 0.004 1 2511 245 245 ASN N N 117.559 0.070 1 2512 245 245 ASN ND2 N 112.452 0.009 1 2513 246 246 MET H H 7.774 0.002 1 2514 246 246 MET HA H 4.558 0.007 1 2515 246 246 MET HB2 H 2.125 0.002 2 2516 246 246 MET HB3 H 1.962 0.002 2 2517 246 246 MET HG2 H 2.554 0.001 2 2518 246 246 MET HG3 H 2.480 0.002 2 2519 246 246 MET C C 174.620 0.030 1 2520 246 246 MET CA C 55.361 0.060 1 2521 246 246 MET CB C 33.573 0.001 1 2522 246 246 MET CG C 32.305 0.030 1 2523 246 246 MET N N 119.509 0.071 1 2524 247 247 ALA H H 7.947 0.006 1 2525 247 247 ALA HA H 4.134 0.003 1 2526 247 247 ALA HB H 1.356 0.002 1 2527 247 247 ALA C C 174.612 0.030 1 2528 247 247 ALA CA C 54.029 0.030 1 2529 247 247 ALA CB C 20.032 0.030 1 2530 247 247 ALA N N 130.316 0.087 1 stop_ save_