data_25562 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of the PR domain from PRDM16 ; _BMRB_accession_number 25562 _BMRB_flat_file_name bmr25562.str _Entry_type original _Submission_date 2015-04-02 _Accession_date 2015-04-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sun Yizhi . . 2 Armstrong Geoffrey . . 3 Briknarova Klara . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 988 "13C chemical shifts" 737 "15N chemical shifts" 168 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-05 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25564 'Third Type III domain from Human Fibronectin' stop_ _Original_release_date 2016-07-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of the PR Domain from PRDM16 ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sun Yizhi . . 2 Armstrong Geoffrey . . 3 Briknarova Klara . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PR domain from PRDM16' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 19169.670 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 176 _Mol_residue_sequence ; GSGFPTSEDFTPKEGSPYEA PVYIPEDIPIPADFELRESS IPGAGLGVWAKRKMEAGERL GPCVVVPRAAAKETDFGWEQ ILTDVEVSPQEGCITKISED LGSEKFCVDANQAGAGSWLK YIRVACSCDDQNLTMCQISE QIYYKVIKDIEPGEELLVHV KEGVYPLGTVPPGLDE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 51 GLY 2 52 SER 3 53 GLY 4 54 PHE 5 55 PRO 6 56 THR 7 57 SER 8 58 GLU 9 59 ASP 10 60 PHE 11 61 THR 12 62 PRO 13 63 LYS 14 64 GLU 15 65 GLY 16 66 SER 17 67 PRO 18 68 TYR 19 69 GLU 20 70 ALA 21 71 PRO 22 72 VAL 23 73 TYR 24 74 ILE 25 75 PRO 26 76 GLU 27 77 ASP 28 78 ILE 29 79 PRO 30 80 ILE 31 81 PRO 32 82 ALA 33 83 ASP 34 84 PHE 35 85 GLU 36 86 LEU 37 87 ARG 38 88 GLU 39 89 SER 40 90 SER 41 91 ILE 42 92 PRO 43 93 GLY 44 94 ALA 45 95 GLY 46 96 LEU 47 97 GLY 48 98 VAL 49 99 TRP 50 100 ALA 51 101 LYS 52 102 ARG 53 103 LYS 54 104 MET 55 105 GLU 56 106 ALA 57 107 GLY 58 108 GLU 59 109 ARG 60 110 LEU 61 111 GLY 62 112 PRO 63 113 CYS 64 114 VAL 65 115 VAL 66 116 VAL 67 117 PRO 68 118 ARG 69 119 ALA 70 120 ALA 71 121 ALA 72 122 LYS 73 123 GLU 74 124 THR 75 125 ASP 76 126 PHE 77 127 GLY 78 128 TRP 79 129 GLU 80 130 GLN 81 131 ILE 82 132 LEU 83 133 THR 84 134 ASP 85 135 VAL 86 136 GLU 87 137 VAL 88 138 SER 89 139 PRO 90 140 GLN 91 141 GLU 92 142 GLY 93 143 CYS 94 144 ILE 95 145 THR 96 146 LYS 97 147 ILE 98 148 SER 99 149 GLU 100 150 ASP 101 151 LEU 102 152 GLY 103 153 SER 104 154 GLU 105 155 LYS 106 156 PHE 107 157 CYS 108 158 VAL 109 159 ASP 110 160 ALA 111 161 ASN 112 162 GLN 113 163 ALA 114 164 GLY 115 165 ALA 116 166 GLY 117 167 SER 118 168 TRP 119 169 LEU 120 170 LYS 121 171 TYR 122 172 ILE 123 173 ARG 124 174 VAL 125 175 ALA 126 176 CYS 127 177 SER 128 178 CYS 129 179 ASP 130 180 ASP 131 181 GLN 132 182 ASN 133 183 LEU 134 184 THR 135 185 MET 136 186 CYS 137 187 GLN 138 188 ILE 139 189 SER 140 190 GLU 141 191 GLN 142 192 ILE 143 193 TYR 144 194 TYR 145 195 LYS 146 196 VAL 147 197 ILE 148 198 LYS 149 199 ASP 150 200 ILE 151 201 GLU 152 202 PRO 153 203 GLY 154 204 GLU 155 205 GLU 156 206 LEU 157 207 LEU 158 208 VAL 159 209 HIS 160 210 VAL 161 211 LYS 162 212 GLU 163 213 GLY 164 214 VAL 165 215 TYR 166 216 PRO 167 217 LEU 168 218 GLY 169 219 THR 170 220 VAL 171 221 PRO 172 222 PRO 173 223 GLY 174 224 LEU 175 225 ASP 176 226 GLU 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 Q9HAZ2 MEL1 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli BL21-CodonPlus(DE3)-RIPL 'pDEST 15' 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 $entity 0.45-0.55 mM '[U-99% 13C; U-99% 15N]' 'potassium phosphate' 20 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' DTT 2.5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.4-0.5 mM '[U-99% 15N]' 'potassium phosphate' 20 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' DTT 2.5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.5 mM 'natural abundance' 'potassium phosphate' 20 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' DTT 2.5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Agilent . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CcpNmr _Saveframe_category software _Name CcpNmr _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'generation of torsion angle restraints' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Varian NMR System' _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Varian NMR System' _Field_strength 900 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Varian NMR System' _Field_strength 500 _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_2 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_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _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_CCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_2D_HBCB(CGCD)HD_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HBCB(CGCD)HD' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_2D_DQF-COSY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_3 save_ save_2D_1H-1H_TOCSY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_3 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' 0.088 . M pH 6.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 protons ppm 4.755 internal indirect . . . 0.251449530 water H 1 protons ppm 4.755 internal direct . . . 1.0 water N 15 protons ppm 4.755 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_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCACB' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HN(CA)CO' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D CCH-TOCSY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '2D HBCB(CGCD)HD' '3D 1H-15N NOESY' '2D DQF-COSY' '2D 1H-1H TOCSY' stop_ loop_ _Sample_label $sample_2 $sample_1 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _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 51 1 GLY HA2 H 3.866 0.000 1 2 51 1 GLY HA3 H 3.866 0.000 1 3 51 1 GLY CA C 43.710 0.000 1 4 52 2 SER HA H 4.430 0.000 1 5 52 2 SER HB2 H 3.820 0.000 2 6 52 2 SER HB3 H 3.820 0.000 2 7 52 2 SER C C 174.764 0.000 1 8 52 2 SER CA C 58.527 0.000 1 9 52 2 SER CB C 63.946 0.010 1 10 53 3 GLY H H 8.471 0.013 1 11 53 3 GLY HA2 H 3.829 0.003 2 12 53 3 GLY HA3 H 3.868 0.023 2 13 53 3 GLY C C 173.364 0.000 1 14 53 3 GLY CA C 45.110 0.130 1 15 53 3 GLY N N 110.774 0.200 1 16 54 4 PHE H H 8.047 0.010 1 17 54 4 PHE HA H 4.640 0.001 1 18 54 4 PHE HB2 H 2.891 0.010 2 19 54 4 PHE HB3 H 3.150 0.010 2 20 54 4 PHE HD1 H 7.222 0.000 3 21 54 4 PHE HD2 H 7.222 0.000 3 22 54 4 PHE C C 174.057 0.000 1 23 54 4 PHE CA C 55.790 0.044 1 24 54 4 PHE CB C 39.224 0.027 1 25 54 4 PHE CD1 C 131.867 0.000 3 26 54 4 PHE CD2 C 131.867 0.000 3 27 54 4 PHE N N 120.775 0.062 1 28 55 5 PRO HA H 4.479 0.013 1 29 55 5 PRO HB2 H 1.919 0.011 2 30 55 5 PRO HB3 H 2.266 0.015 2 31 55 5 PRO HG2 H 1.992 0.011 2 32 55 5 PRO HG3 H 1.996 0.000 2 33 55 5 PRO HD2 H 3.772 0.009 2 34 55 5 PRO HD3 H 3.518 0.019 2 35 55 5 PRO C C 177.010 0.000 1 36 55 5 PRO CA C 63.452 0.040 1 37 55 5 PRO CB C 32.207 0.079 1 38 55 5 PRO CG C 27.456 0.035 1 39 55 5 PRO CD C 50.734 0.125 1 40 56 6 THR H H 8.264 0.009 1 41 56 6 THR HA H 4.340 0.013 1 42 56 6 THR HB H 4.310 0.012 1 43 56 6 THR HG2 H 1.233 0.012 1 44 56 6 THR C C 174.766 0.000 1 45 56 6 THR CA C 61.752 0.173 1 46 56 6 THR CB C 70.179 0.034 1 47 56 6 THR CG2 C 21.774 0.063 1 48 56 6 THR N N 113.925 0.061 1 49 57 7 SER H H 8.323 0.010 1 50 57 7 SER HA H 4.438 0.011 1 51 57 7 SER HB2 H 3.912 0.000 2 52 57 7 SER HB3 H 3.854 0.011 2 53 57 7 SER C C 174.715 0.000 1 54 57 7 SER CA C 58.676 0.106 1 55 57 7 SER CB C 63.957 0.074 1 56 57 7 SER N N 117.375 0.066 1 57 58 8 GLU H H 8.449 0.009 1 58 58 8 GLU HA H 4.233 0.013 1 59 58 8 GLU HB2 H 1.838 0.012 2 60 58 8 GLU HB3 H 1.914 0.013 2 61 58 8 GLU HG2 H 2.187 0.009 2 62 58 8 GLU HG3 H 2.197 0.000 2 63 58 8 GLU C C 175.956 0.000 1 64 58 8 GLU CA C 56.854 0.205 1 65 58 8 GLU CB C 30.463 0.064 1 66 58 8 GLU CG C 36.386 0.064 1 67 58 8 GLU N N 122.504 0.063 1 68 59 9 ASP H H 8.167 0.011 1 69 59 9 ASP HA H 4.521 0.002 1 70 59 9 ASP HB2 H 2.588 0.011 2 71 59 9 ASP HB3 H 2.518 0.015 2 72 59 9 ASP C C 175.845 0.000 1 73 59 9 ASP CA C 54.406 0.000 1 74 59 9 ASP CB C 41.335 0.018 1 75 59 9 ASP N N 120.563 0.065 1 76 60 10 PHE H H 8.088 0.010 1 77 60 10 PHE HA H 4.626 0.013 1 78 60 10 PHE HB2 H 2.998 0.003 2 79 60 10 PHE HB3 H 3.112 0.010 2 80 60 10 PHE HD1 H 7.180 0.014 3 81 60 10 PHE HD2 H 7.180 0.014 3 82 60 10 PHE C C 175.458 0.000 1 83 60 10 PHE CA C 57.735 0.000 1 84 60 10 PHE CB C 39.727 0.049 1 85 60 10 PHE CD1 C 131.737 0.000 3 86 60 10 PHE CD2 C 131.737 0.000 3 87 60 10 PHE N N 120.793 0.065 1 88 61 11 THR H H 8.018 0.010 1 89 61 11 THR HA H 4.491 0.011 1 90 61 11 THR HB H 4.025 0.009 1 91 61 11 THR HG2 H 1.197 0.004 1 92 61 11 THR C C 172.296 0.000 1 93 61 11 THR CA C 59.981 0.041 1 94 61 11 THR CB C 70.028 0.070 1 95 61 11 THR CG2 C 21.483 0.022 1 96 61 11 THR N N 119.640 0.058 1 97 62 12 PRO HA H 4.329 0.011 1 98 62 12 PRO HB2 H 1.922 0.013 2 99 62 12 PRO HB3 H 2.283 0.011 2 100 62 12 PRO HG2 H 1.981 0.001 1 101 62 12 PRO HG3 H 1.981 0.000 1 102 62 12 PRO HD2 H 3.700 0.014 2 103 62 12 PRO HD3 H 3.723 0.000 2 104 62 12 PRO C C 176.860 0.000 1 105 62 12 PRO CA C 63.183 0.041 1 106 62 12 PRO CB C 32.342 0.086 1 107 62 12 PRO CG C 27.419 0.000 1 108 62 12 PRO CD C 51.088 0.043 1 109 63 13 LYS H H 8.444 0.009 1 110 63 13 LYS HA H 4.272 0.013 1 111 63 13 LYS HB2 H 1.789 0.014 2 112 63 13 LYS HB3 H 1.712 0.012 2 113 63 13 LYS HG2 H 1.430 0.014 2 114 63 13 LYS HG3 H 1.453 0.000 2 115 63 13 LYS HD2 H 1.582 0.013 2 116 63 13 LYS HD3 H 1.595 0.000 2 117 63 13 LYS HE2 H 2.941 0.000 2 118 63 13 LYS HE3 H 2.974 0.000 2 119 63 13 LYS C C 176.658 0.000 1 120 63 13 LYS CA C 56.222 0.061 1 121 63 13 LYS CB C 33.296 0.125 1 122 63 13 LYS CG C 24.782 0.118 1 123 63 13 LYS CD C 29.047 0.114 1 124 63 13 LYS CE C 42.248 0.003 1 125 63 13 LYS N N 122.264 0.051 1 126 64 14 GLU H H 8.480 0.009 1 127 64 14 GLU HA H 4.258 0.010 1 128 64 14 GLU HB2 H 1.959 0.013 2 129 64 14 GLU HB3 H 2.027 0.013 2 130 64 14 GLU HG2 H 2.237 0.010 2 131 64 14 GLU HG3 H 2.256 0.000 2 132 64 14 GLU C C 176.853 0.000 1 133 64 14 GLU CA C 56.873 0.149 1 134 64 14 GLU CB C 30.414 0.042 1 135 64 14 GLU CG C 36.321 0.126 1 136 64 14 GLU N N 122.351 0.049 1 137 65 15 GLY H H 8.469 0.008 1 138 65 15 GLY HA2 H 3.940 0.002 2 139 65 15 GLY HA3 H 3.939 0.000 2 140 65 15 GLY C C 173.820 0.000 1 141 65 15 GLY CA C 45.165 0.000 1 142 65 15 GLY N N 110.469 0.050 1 143 66 16 SER H H 8.201 0.012 1 144 66 16 SER HA H 4.764 0.000 1 145 66 16 SER HB2 H 3.837 0.005 2 146 66 16 SER HB3 H 3.840 0.000 2 147 66 16 SER C C 173.080 0.000 1 148 66 16 SER CA C 56.478 0.061 1 149 66 16 SER CB C 63.693 0.067 1 150 66 16 SER N N 116.744 0.053 1 151 67 17 PRO HA H 4.386 0.000 1 152 67 17 PRO HB2 H 2.188 0.011 2 153 67 17 PRO HB3 H 1.742 0.005 2 154 67 17 PRO HG2 H 1.933 0.022 2 155 67 17 PRO HG3 H 1.955 0.000 2 156 67 17 PRO HD2 H 3.707 0.024 2 157 67 17 PRO HD3 H 3.731 0.000 2 158 67 17 PRO C C 176.477 0.000 1 159 67 17 PRO CA C 63.281 0.000 1 160 67 17 PRO CB C 32.098 0.115 1 161 67 17 PRO CG C 27.279 0.141 1 162 67 17 PRO CD C 50.723 0.115 1 163 68 18 TYR H H 8.082 0.008 1 164 68 18 TYR HA H 4.492 0.010 1 165 68 18 TYR HB2 H 2.989 0.002 2 166 68 18 TYR HB3 H 2.939 0.005 2 167 68 18 TYR HD1 H 7.051 0.003 3 168 68 18 TYR HD2 H 7.051 0.003 3 169 68 18 TYR HE1 H 6.779 0.012 3 170 68 18 TYR HE2 H 6.779 0.012 3 171 68 18 TYR C C 175.335 0.000 1 172 68 18 TYR CA C 58.093 0.121 1 173 68 18 TYR CB C 39.015 0.039 1 174 68 18 TYR CD1 C 133.025 0.000 3 175 68 18 TYR CD2 C 133.025 0.000 3 176 68 18 TYR CE1 C 117.958 0.000 3 177 68 18 TYR CE2 C 117.958 0.000 3 178 68 18 TYR N N 120.095 0.048 1 179 69 19 GLU H H 7.923 0.009 1 180 69 19 GLU HA H 4.215 0.012 1 181 69 19 GLU HB2 H 1.905 0.010 2 182 69 19 GLU HB3 H 1.789 0.009 2 183 69 19 GLU HG2 H 2.138 0.007 2 184 69 19 GLU HG3 H 2.150 0.000 2 185 69 19 GLU C C 174.874 0.000 1 186 69 19 GLU CA C 55.675 0.074 1 187 69 19 GLU CB C 31.093 0.017 1 188 69 19 GLU CG C 36.215 0.093 1 189 69 19 GLU N N 123.930 0.040 1 190 70 20 ALA H H 8.181 0.010 1 191 70 20 ALA HA H 4.451 0.004 1 192 70 20 ALA HB H 1.343 0.006 1 193 70 20 ALA C C 175.385 0.000 1 194 70 20 ALA CA C 50.567 0.030 1 195 70 20 ALA CB C 18.263 0.023 1 196 70 20 ALA N N 127.077 0.051 1 197 71 21 PRO HA H 4.359 0.022 1 198 71 21 PRO HB2 H 2.198 0.016 2 199 71 21 PRO HB3 H 1.735 0.009 2 200 71 21 PRO HG2 H 1.995 0.013 2 201 71 21 PRO HG3 H 2.016 0.000 2 202 71 21 PRO HD2 H 3.724 0.005 2 203 71 21 PRO HD3 H 3.733 0.000 2 204 71 21 PRO C C 176.441 0.000 1 205 71 21 PRO CA C 62.961 0.117 1 206 71 21 PRO CB C 32.176 0.103 1 207 71 21 PRO CG C 27.291 0.119 1 208 71 21 PRO CD C 50.590 0.117 1 209 72 22 VAL H H 8.086 0.006 1 210 72 22 VAL HA H 4.016 0.012 1 211 72 22 VAL HB H 1.946 0.008 1 212 72 22 VAL HG2 H 0.875 0.021 1 213 72 22 VAL C C 175.462 0.000 1 214 72 22 VAL CA C 62.143 0.083 1 215 72 22 VAL CB C 33.027 0.116 1 216 72 22 VAL CG2 C 21.097 0.113 1 217 72 22 VAL N N 120.354 0.008 1 218 73 23 TYR H H 8.282 0.010 1 219 73 23 TYR HA H 4.618 0.013 1 220 73 23 TYR HB2 H 2.888 0.005 2 221 73 23 TYR HB3 H 2.896 0.000 2 222 73 23 TYR HD1 H 7.045 0.005 3 223 73 23 TYR HD2 H 7.045 0.005 3 224 73 23 TYR HE1 H 6.766 0.010 3 225 73 23 TYR HE2 H 6.766 0.010 3 226 73 23 TYR C C 174.611 0.000 1 227 73 23 TYR CA C 57.616 0.113 1 228 73 23 TYR CB C 39.321 0.033 1 229 73 23 TYR CD1 C 133.025 0.000 3 230 73 23 TYR CD2 C 133.025 0.000 3 231 73 23 TYR CE1 C 117.997 0.020 3 232 73 23 TYR CE2 C 117.997 0.020 3 233 73 23 TYR N N 125.130 0.058 1 234 74 24 ILE H H 8.070 0.007 1 235 74 24 ILE HA H 4.371 0.001 1 236 74 24 ILE HB H 1.780 0.011 1 237 74 24 ILE HG12 H 1.081 0.007 2 238 74 24 ILE HG13 H 1.420 0.008 2 239 74 24 ILE HG2 H 0.855 0.002 1 240 74 24 ILE HD1 H 0.802 0.005 1 241 74 24 ILE C C 174.003 0.000 1 242 74 24 ILE CA C 58.034 0.033 1 243 74 24 ILE CB C 38.997 0.050 1 244 74 24 ILE CG1 C 27.050 0.036 1 245 74 24 ILE CG2 C 17.652 0.000 1 246 74 24 ILE CD1 C 12.843 0.000 1 247 74 24 ILE N N 126.556 0.039 1 248 75 25 PRO HA H 4.200 0.012 1 249 75 25 PRO HB2 H 1.945 0.009 2 250 75 25 PRO HB3 H 2.264 0.010 2 251 75 25 PRO HG2 H 1.998 0.019 2 252 75 25 PRO HG3 H 2.017 0.000 2 253 75 25 PRO HD2 H 3.612 0.009 2 254 75 25 PRO HD3 H 3.783 0.003 2 255 75 25 PRO C C 176.970 0.000 1 256 75 25 PRO CA C 63.424 0.058 1 257 75 25 PRO CB C 32.296 0.078 1 258 75 25 PRO CG C 27.532 0.163 1 259 75 25 PRO CD C 50.874 0.079 1 260 76 26 GLU H H 8.437 0.009 1 261 76 26 GLU HA H 4.190 0.011 1 262 76 26 GLU HB2 H 1.947 0.007 2 263 76 26 GLU HB3 H 1.961 0.000 2 264 76 26 GLU HG2 H 2.257 0.010 2 265 76 26 GLU HG3 H 2.262 0.006 2 266 76 26 GLU C C 176.151 0.000 1 267 76 26 GLU CA C 57.027 0.054 1 268 76 26 GLU CB C 30.427 0.049 1 269 76 26 GLU CG C 36.595 0.086 1 270 76 26 GLU N N 120.037 0.050 1 271 77 27 ASP H H 8.335 0.009 1 272 77 27 ASP HA H 4.588 0.015 1 273 77 27 ASP HB2 H 2.616 0.018 2 274 77 27 ASP HB3 H 2.651 0.020 2 275 77 27 ASP C C 175.664 0.000 1 276 77 27 ASP CA C 54.336 0.121 1 277 77 27 ASP CB C 41.020 0.000 1 278 77 27 ASP N N 120.575 0.035 1 279 78 28 ILE H H 7.719 0.011 1 280 78 28 ILE HA H 4.455 0.006 1 281 78 28 ILE HB H 1.787 0.002 1 282 78 28 ILE HG12 H 1.466 0.023 2 283 78 28 ILE HG13 H 1.116 0.016 2 284 78 28 ILE HG2 H 0.862 0.000 1 285 78 28 ILE HD1 H 0.802 0.011 1 286 78 28 ILE C C 173.867 0.000 1 287 78 28 ILE CA C 58.394 0.000 1 288 78 28 ILE CB C 39.184 0.041 1 289 78 28 ILE CG1 C 27.042 0.035 1 290 78 28 ILE CG2 C 17.504 0.000 1 291 78 28 ILE CD1 C 12.819 0.000 1 292 78 28 ILE N N 122.111 0.040 1 293 79 29 PRO HA H 4.463 0.007 1 294 79 29 PRO HB2 H 2.182 0.001 2 295 79 29 PRO HB3 H 1.927 0.002 2 296 79 29 PRO HG2 H 2.096 0.009 2 297 79 29 PRO HG3 H 2.113 0.000 2 298 79 29 PRO HD2 H 3.904 0.004 2 299 79 29 PRO HD3 H 3.706 0.003 2 300 79 29 PRO C C 175.642 0.000 1 301 79 29 PRO CA C 62.999 0.111 1 302 79 29 PRO CB C 31.525 0.000 1 303 79 29 PRO CG C 27.666 0.071 1 304 79 29 PRO CD C 51.175 0.013 1 305 80 30 ILE H H 8.064 0.006 1 306 80 30 ILE HA H 4.274 0.001 1 307 80 30 ILE HB H 1.619 0.006 1 308 80 30 ILE HG12 H 1.051 0.005 2 309 80 30 ILE HG13 H 0.983 0.012 2 310 80 30 ILE HG2 H 0.797 0.004 1 311 80 30 ILE HD1 H 0.743 0.005 1 312 80 30 ILE C C 173.200 0.000 1 313 80 30 ILE CA C 57.508 0.000 1 314 80 30 ILE CB C 41.706 0.000 1 315 80 30 ILE CG1 C 28.068 0.037 1 316 80 30 ILE CG2 C 15.798 0.031 1 317 80 30 ILE CD1 C 15.110 0.012 1 318 80 30 ILE N N 123.157 0.048 1 319 81 31 PRO HA H 4.302 0.011 1 320 81 31 PRO HB2 H 1.797 0.013 2 321 81 31 PRO HB3 H 2.430 0.008 2 322 81 31 PRO HG2 H 1.753 0.001 2 323 81 31 PRO HG3 H 1.696 0.001 2 324 81 31 PRO HD2 H 2.739 0.007 2 325 81 31 PRO HD3 H 1.938 0.004 2 326 81 31 PRO C C 175.887 0.000 1 327 81 31 PRO CA C 63.302 0.118 1 328 81 31 PRO CB C 32.515 0.054 1 329 81 31 PRO CG C 27.809 0.081 1 330 81 31 PRO CD C 50.996 0.025 1 331 82 32 ALA H H 8.198 0.011 1 332 82 32 ALA HA H 4.109 0.006 1 333 82 32 ALA HB H 1.362 0.008 1 334 82 32 ALA C C 177.613 0.000 1 335 82 32 ALA CA C 54.203 0.073 1 336 82 32 ALA CB C 18.889 0.089 1 337 82 32 ALA N N 120.041 0.051 1 338 83 33 ASP H H 7.979 0.010 1 339 83 33 ASP HA H 4.058 0.002 1 340 83 33 ASP HB2 H 2.086 0.007 2 341 83 33 ASP HB3 H 1.618 0.004 2 342 83 33 ASP C C 172.998 0.000 1 343 83 33 ASP CA C 54.467 0.057 1 344 83 33 ASP CB C 40.043 0.040 1 345 83 33 ASP N N 112.789 0.045 1 346 84 34 PHE H H 7.815 0.007 1 347 84 34 PHE HA H 5.321 0.010 1 348 84 34 PHE HB2 H 3.049 0.012 2 349 84 34 PHE HB3 H 2.138 0.006 2 350 84 34 PHE HD1 H 6.624 0.009 3 351 84 34 PHE HD2 H 6.624 0.009 3 352 84 34 PHE HE1 H 7.305 0.013 3 353 84 34 PHE HE2 H 7.305 0.013 3 354 84 34 PHE HZ H 7.218 0.004 1 355 84 34 PHE C C 172.702 0.000 1 356 84 34 PHE CA C 55.924 0.057 1 357 84 34 PHE CB C 43.805 0.025 1 358 84 34 PHE CD1 C 131.966 0.045 3 359 84 34 PHE CD2 C 131.966 0.045 3 360 84 34 PHE CE1 C 131.297 0.017 3 361 84 34 PHE CE2 C 131.297 0.017 3 362 84 34 PHE CZ C 128.956 0.031 1 363 84 34 PHE N N 116.398 0.048 1 364 85 35 GLU H H 8.975 0.007 1 365 85 35 GLU HA H 4.749 0.008 1 366 85 35 GLU HB2 H 2.014 0.001 2 367 85 35 GLU HB3 H 2.015 0.000 2 368 85 35 GLU HG2 H 2.023 0.000 2 369 85 35 GLU HG3 H 2.063 0.001 2 370 85 35 GLU C C 174.286 0.000 1 371 85 35 GLU CA C 54.438 0.029 1 372 85 35 GLU CB C 33.788 0.003 1 373 85 35 GLU CG C 35.581 0.007 1 374 85 35 GLU N N 114.685 0.033 1 375 86 36 LEU H H 8.676 0.010 1 376 86 36 LEU HA H 5.643 0.011 1 377 86 36 LEU HB2 H 1.653 0.004 2 378 86 36 LEU HB3 H 1.272 0.004 2 379 86 36 LEU HG H 1.524 0.009 1 380 86 36 LEU HD1 H 0.635 0.003 2 381 86 36 LEU HD2 H 0.562 0.001 2 382 86 36 LEU C C 176.760 0.000 1 383 86 36 LEU CA C 53.490 0.032 1 384 86 36 LEU CB C 43.065 0.007 1 385 86 36 LEU CG C 27.264 0.066 1 386 86 36 LEU CD1 C 25.514 0.025 2 387 86 36 LEU CD2 C 25.747 0.026 2 388 86 36 LEU N N 123.010 0.062 1 389 87 37 ARG H H 8.625 0.007 1 390 87 37 ARG HA H 4.443 0.004 1 391 87 37 ARG HB2 H 1.655 0.004 2 392 87 37 ARG HB3 H 1.265 0.004 2 393 87 37 ARG HG2 H 0.980 0.005 2 394 87 37 ARG HG3 H 0.756 0.004 2 395 87 37 ARG HD2 H 2.404 0.009 1 396 87 37 ARG HE H 6.755 0.011 1 397 87 37 ARG C C 175.679 0.000 1 398 87 37 ARG CA C 55.249 0.000 1 399 87 37 ARG CB C 32.472 0.032 1 400 87 37 ARG CG C 26.317 0.021 1 401 87 37 ARG CD C 43.568 0.009 1 402 87 37 ARG N N 119.397 0.041 1 403 88 38 GLU H H 8.901 0.010 1 404 88 38 GLU HA H 4.040 0.012 1 405 88 38 GLU HB2 H 1.900 0.000 2 406 88 38 GLU HB3 H 1.975 0.001 2 407 88 38 GLU HG2 H 2.321 0.003 2 408 88 38 GLU HG3 H 2.461 0.002 2 409 88 38 GLU C C 176.069 0.000 1 410 88 38 GLU CA C 59.203 0.042 1 411 88 38 GLU CB C 30.222 0.063 1 412 88 38 GLU CG C 36.001 0.008 1 413 88 38 GLU N N 124.841 0.051 1 414 89 39 SER H H 9.243 0.008 1 415 89 39 SER HA H 3.839 0.001 1 416 89 39 SER HB2 H 3.730 0.001 2 417 89 39 SER HB3 H 3.729 0.000 2 418 89 39 SER CA C 56.325 0.000 1 419 89 39 SER CB C 63.971 0.000 1 420 89 39 SER N N 120.127 0.047 1 421 90 40 SER H H 8.819 0.000 1 422 90 40 SER C C 175.281 0.000 1 423 90 40 SER CA C 60.661 0.000 1 424 90 40 SER CB C 64.349 0.000 1 425 91 41 ILE H H 9.136 0.009 1 426 91 41 ILE HB H 2.132 0.005 1 427 91 41 ILE HG12 H 1.404 0.000 2 428 91 41 ILE HG13 H 1.284 0.000 2 429 91 41 ILE HG2 H 0.912 0.002 1 430 91 41 ILE HD1 H 0.799 0.005 1 431 91 41 ILE CA C 56.852 0.000 1 432 91 41 ILE CB C 35.456 0.000 1 433 91 41 ILE CG1 C 26.576 0.030 1 434 91 41 ILE CG2 C 17.043 0.000 1 435 91 41 ILE CD1 C 11.013 0.035 1 436 91 41 ILE N N 128.603 0.050 1 437 92 42 PRO HA H 4.363 0.004 1 438 92 42 PRO HB2 H 1.932 0.000 2 439 92 42 PRO HB3 H 2.284 0.000 2 440 92 42 PRO C C 178.444 0.000 1 441 92 42 PRO CA C 64.222 0.086 1 442 92 42 PRO CB C 31.742 0.000 1 443 93 43 GLY H H 8.867 0.008 1 444 93 43 GLY HA2 H 4.114 0.004 2 445 93 43 GLY HA3 H 3.758 0.009 2 446 93 43 GLY C C 174.887 0.000 1 447 93 43 GLY CA C 45.870 0.040 1 448 93 43 GLY N N 112.339 0.055 1 449 94 44 ALA H H 7.717 0.007 1 450 94 44 ALA HA H 4.183 0.014 1 451 94 44 ALA HB H 1.338 0.008 1 452 94 44 ALA C C 177.530 0.000 1 453 94 44 ALA CA C 54.196 0.087 1 454 94 44 ALA CB C 19.762 0.015 1 455 94 44 ALA N N 122.525 0.053 1 456 95 45 GLY H H 8.240 0.007 1 457 95 45 GLY HA2 H 3.658 0.008 2 458 95 45 GLY HA3 H 4.345 0.004 2 459 95 45 GLY C C 173.609 0.000 1 460 95 45 GLY CA C 44.292 0.019 1 461 95 45 GLY N N 105.191 0.053 1 462 96 46 LEU H H 8.738 0.008 1 463 96 46 LEU HA H 4.108 0.013 1 464 96 46 LEU HB2 H 1.821 0.004 2 465 96 46 LEU HB3 H 1.181 0.004 2 466 96 46 LEU HG H 1.728 0.004 1 467 96 46 LEU HD1 H 0.642 0.003 2 468 96 46 LEU HD2 H 0.735 0.006 2 469 96 46 LEU C C 176.608 0.000 1 470 96 46 LEU CA C 55.745 0.000 1 471 96 46 LEU CB C 43.589 0.027 1 472 96 46 LEU CG C 26.767 0.032 1 473 96 46 LEU CD1 C 22.784 0.025 2 474 96 46 LEU CD2 C 25.875 0.033 2 475 96 46 LEU N N 123.649 0.065 1 476 97 47 GLY H H 8.817 0.009 1 477 97 47 GLY HA2 H 3.888 0.004 2 478 97 47 GLY HA3 H 5.591 0.022 2 479 97 47 GLY C C 171.787 0.000 1 480 97 47 GLY CA C 43.700 0.027 1 481 97 47 GLY N N 109.780 0.049 1 482 98 48 VAL H H 8.789 0.008 1 483 98 48 VAL HA H 4.758 0.007 1 484 98 48 VAL HB H 1.872 0.005 1 485 98 48 VAL HG1 H 1.008 0.006 2 486 98 48 VAL HG2 H 1.024 0.006 2 487 98 48 VAL C C 173.957 0.000 1 488 98 48 VAL CA C 62.239 0.000 1 489 98 48 VAL CB C 33.959 0.030 1 490 98 48 VAL CG1 C 22.835 0.028 2 491 98 48 VAL CG2 C 23.935 0.021 2 492 98 48 VAL N N 118.981 0.060 1 493 99 49 TRP H H 9.475 0.009 1 494 99 49 TRP HA H 5.021 0.002 1 495 99 49 TRP HB2 H 3.058 0.012 2 496 99 49 TRP HB3 H 2.864 0.012 2 497 99 49 TRP HD1 H 7.165 0.008 1 498 99 49 TRP HE1 H 8.431 0.006 1 499 99 49 TRP HE3 H 7.086 0.002 1 500 99 49 TRP HZ2 H 7.724 0.006 1 501 99 49 TRP HZ3 H 7.176 0.009 1 502 99 49 TRP HH2 H 7.270 0.003 1 503 99 49 TRP C C 176.330 0.000 1 504 99 49 TRP CA C 55.577 0.000 1 505 99 49 TRP CB C 30.688 0.038 1 506 99 49 TRP CD1 C 127.708 0.058 1 507 99 49 TRP CE3 C 120.407 0.025 1 508 99 49 TRP CZ2 C 115.632 0.029 1 509 99 49 TRP CZ3 C 124.515 0.000 1 510 99 49 TRP CH2 C 122.248 0.000 1 511 99 49 TRP N N 127.030 0.053 1 512 99 49 TRP NE1 N 126.842 0.035 1 513 100 50 ALA H H 8.891 0.012 1 514 100 50 ALA HA H 4.596 0.009 1 515 100 50 ALA HB H 1.729 0.006 1 516 100 50 ALA C C 180.332 0.000 1 517 100 50 ALA CA C 53.541 0.138 1 518 100 50 ALA CB C 19.977 0.046 1 519 100 50 ALA N N 124.398 0.052 1 520 101 51 LYS H H 8.691 0.007 1 521 101 51 LYS HA H 4.503 0.010 1 522 101 51 LYS HB2 H 1.956 0.006 2 523 101 51 LYS HB3 H 1.214 0.004 2 524 101 51 LYS HG2 H 1.211 0.006 2 525 101 51 LYS HG3 H 1.213 0.007 2 526 101 51 LYS HD2 H 1.487 0.009 2 527 101 51 LYS HD3 H 1.544 0.013 2 528 101 51 LYS HE2 H 2.908 0.008 2 529 101 51 LYS HE3 H 2.842 0.004 2 530 101 51 LYS C C 174.904 0.000 1 531 101 51 LYS CA C 56.091 0.175 1 532 101 51 LYS CB C 32.425 0.012 1 533 101 51 LYS CG C 25.088 0.012 1 534 101 51 LYS CD C 28.918 0.051 1 535 101 51 LYS CE C 41.666 0.046 1 536 101 51 LYS N N 120.235 0.053 1 537 102 52 ARG H H 7.701 0.007 1 538 102 52 ARG HA H 4.602 0.014 1 539 102 52 ARG HB2 H 1.683 0.003 2 540 102 52 ARG HB3 H 1.803 0.002 2 541 102 52 ARG HG2 H 1.328 0.008 2 542 102 52 ARG HG3 H 1.323 0.017 2 543 102 52 ARG HD2 H 2.923 0.005 2 544 102 52 ARG HD3 H 3.053 0.003 2 545 102 52 ARG HE H 7.711 0.000 1 546 102 52 ARG C C 172.529 0.000 1 547 102 52 ARG CA C 53.700 0.073 1 548 102 52 ARG CB C 32.645 0.022 1 549 102 52 ARG CG C 25.795 0.011 1 550 102 52 ARG CD C 43.573 0.030 1 551 102 52 ARG N N 116.561 0.048 1 552 103 53 LYS H H 8.233 0.008 1 553 103 53 LYS HA H 4.626 0.009 1 554 103 53 LYS HB2 H 1.738 0.003 2 555 103 53 LYS HB3 H 1.737 0.003 2 556 103 53 LYS HD2 H 1.615 0.002 2 557 103 53 LYS HD3 H 1.755 0.002 2 558 103 53 LYS HE2 H 2.856 0.002 2 559 103 53 LYS HE3 H 2.856 0.001 2 560 103 53 LYS C C 177.476 0.000 1 561 103 53 LYS CA C 56.208 0.000 1 562 103 53 LYS CB C 33.104 0.011 1 563 103 53 LYS CD C 29.664 0.027 1 564 103 53 LYS CE C 42.527 0.000 1 565 103 53 LYS N N 118.794 0.053 1 566 104 54 MET H H 9.428 0.010 1 567 104 54 MET HA H 4.761 0.017 1 568 104 54 MET HB2 H 1.949 0.001 2 569 104 54 MET HB3 H 2.127 0.007 2 570 104 54 MET HG2 H 2.615 0.003 2 571 104 54 MET HG3 H 2.441 0.003 2 572 104 54 MET HE H 2.134 0.004 1 573 104 54 MET C C 174.769 0.000 1 574 104 54 MET CA C 53.856 0.000 1 575 104 54 MET CB C 35.235 0.000 1 576 104 54 MET CG C 31.285 0.034 1 577 104 54 MET CE C 17.716 0.026 1 578 104 54 MET N N 126.735 0.043 1 579 105 55 GLU H H 9.056 0.009 1 580 105 55 GLU HA H 4.487 0.010 1 581 105 55 GLU HB2 H 1.889 0.002 2 582 105 55 GLU HB3 H 2.040 0.004 2 583 105 55 GLU HG2 H 2.198 0.010 2 584 105 55 GLU HG3 H 2.218 0.016 2 585 105 55 GLU C C 176.029 0.000 1 586 105 55 GLU CA C 54.831 0.123 1 587 105 55 GLU CB C 32.214 0.058 1 588 105 55 GLU CG C 37.251 0.014 1 589 105 55 GLU N N 122.936 0.046 1 590 106 56 ALA H H 8.491 0.013 1 591 106 56 ALA HA H 3.587 0.012 1 592 106 56 ALA HB H 1.153 0.006 1 593 106 56 ALA C C 178.154 0.000 1 594 106 56 ALA CA C 53.751 0.092 1 595 106 56 ALA CB C 17.499 0.031 1 596 106 56 ALA N N 122.378 0.027 1 597 107 57 GLY H H 8.969 0.009 1 598 107 57 GLY HA2 H 3.369 0.013 2 599 107 57 GLY HA3 H 4.565 0.011 2 600 107 57 GLY C C 175.007 0.000 1 601 107 57 GLY CA C 44.818 0.033 1 602 107 57 GLY N N 111.815 0.056 1 603 108 58 GLU H H 7.978 0.010 1 604 108 58 GLU HA H 4.209 0.011 1 605 108 58 GLU HB2 H 2.093 0.005 2 606 108 58 GLU HB3 H 2.136 0.004 2 607 108 58 GLU HG2 H 2.277 0.003 2 608 108 58 GLU HG3 H 2.762 0.006 2 609 108 58 GLU C C 174.943 0.000 1 610 108 58 GLU CA C 59.041 0.045 1 611 108 58 GLU CB C 30.801 0.031 1 612 108 58 GLU CG C 38.165 0.058 1 613 108 58 GLU N N 121.862 0.044 1 614 109 59 ARG H H 8.607 0.008 1 615 109 59 ARG HA H 5.452 0.012 1 616 109 59 ARG HB2 H 1.655 0.005 2 617 109 59 ARG HB3 H 1.611 0.010 2 618 109 59 ARG HG2 H 1.611 0.011 2 619 109 59 ARG HG3 H 1.393 0.005 2 620 109 59 ARG HD2 H 2.809 0.005 2 621 109 59 ARG HD3 H 2.436 0.016 2 622 109 59 ARG C C 175.591 0.000 1 623 109 59 ARG CA C 54.884 0.015 1 624 109 59 ARG CB C 34.180 0.032 1 625 109 59 ARG CG C 27.631 0.027 1 626 109 59 ARG CD C 43.604 0.049 1 627 109 59 ARG N N 120.380 0.054 1 628 110 60 LEU H H 9.389 0.009 1 629 110 60 LEU HA H 5.020 0.009 1 630 110 60 LEU HB2 H 1.520 0.004 2 631 110 60 LEU HB3 H 1.651 0.012 2 632 110 60 LEU HG H 1.670 0.011 1 633 110 60 LEU HD1 H 0.764 0.009 2 634 110 60 LEU HD2 H 0.994 0.004 2 635 110 60 LEU C C 175.592 0.000 1 636 110 60 LEU CA C 53.961 0.042 1 637 110 60 LEU CB C 45.416 0.066 1 638 110 60 LEU CG C 27.712 0.041 1 639 110 60 LEU CD1 C 26.179 0.026 2 640 110 60 LEU CD2 C 24.906 0.048 2 641 110 60 LEU N N 122.879 0.047 1 642 111 61 GLY H H 8.877 0.008 1 643 111 61 GLY HA2 H 3.120 0.004 2 644 111 61 GLY HA3 H 4.423 0.012 2 645 111 61 GLY C C 171.140 0.000 1 646 111 61 GLY CA C 43.599 0.020 1 647 111 61 GLY N N 108.477 0.056 1 648 112 62 PRO HA H 3.858 0.007 1 649 112 62 PRO HB2 H 1.603 0.003 2 650 112 62 PRO HB3 H 1.720 0.004 2 651 112 62 PRO HG2 H 1.721 0.006 2 652 112 62 PRO HG3 H 1.721 0.004 2 653 112 62 PRO HD2 H 3.525 0.010 2 654 112 62 PRO HD3 H 3.523 0.008 2 655 112 62 PRO CA C 62.473 0.003 1 656 112 62 PRO CB C 35.305 0.023 1 657 112 62 PRO CG C 24.784 0.014 1 658 112 62 PRO CD C 50.574 0.000 1 659 113 63 CYS H H 8.701 0.007 1 660 113 63 CYS HA H 4.290 0.005 1 661 113 63 CYS HB2 H 2.559 0.007 2 662 113 63 CYS HB3 H 2.334 0.004 2 663 113 63 CYS C C 173.969 0.000 1 664 113 63 CYS CA C 58.331 0.039 1 665 113 63 CYS CB C 28.656 0.029 1 666 113 63 CYS N N 118.717 0.049 1 667 114 64 VAL H H 8.237 0.002 1 668 114 64 VAL HA H 4.142 0.025 1 669 114 64 VAL HB H 1.979 0.000 1 670 114 64 VAL HG1 H 0.813 0.013 1 671 114 64 VAL CA C 62.188 0.000 1 672 114 64 VAL CB C 32.921 0.000 1 673 114 64 VAL CG1 C 21.117 0.115 1 674 114 64 VAL N N 122.343 0.034 1 675 115 65 VAL H H 8.049 0.003 1 676 115 65 VAL HA H 4.139 0.022 1 677 115 65 VAL HB H 1.876 0.001 1 678 115 65 VAL HG2 H 0.760 0.004 1 679 115 65 VAL C C 175.363 0.000 1 680 115 65 VAL CA C 61.879 0.151 1 681 115 65 VAL CB C 33.370 0.000 1 682 115 65 VAL CG2 C 21.382 0.155 1 683 115 65 VAL N N 123.058 0.030 1 684 116 66 VAL H H 8.253 0.008 1 685 116 66 VAL HA H 4.390 0.001 1 686 116 66 VAL HG1 H 0.883 0.001 1 687 116 66 VAL C C 174.018 0.000 1 688 116 66 VAL CA C 59.689 0.051 1 689 116 66 VAL CB C 33.203 0.000 1 690 116 66 VAL CG1 C 20.866 0.000 1 691 116 66 VAL N N 124.810 0.052 1 692 117 67 PRO HA H 4.354 0.015 1 693 117 67 PRO HB2 H 2.195 0.009 2 694 117 67 PRO HB3 H 1.803 0.000 2 695 117 67 PRO HG2 H 1.925 0.046 2 696 117 67 PRO HG3 H 1.971 0.000 2 697 117 67 PRO HD2 H 3.649 0.000 2 698 117 67 PRO HD3 H 3.780 0.001 2 699 117 67 PRO C C 176.455 0.000 1 700 117 67 PRO CA C 62.992 0.206 1 701 117 67 PRO CB C 32.213 0.108 1 702 117 67 PRO CG C 27.829 0.003 1 703 117 67 PRO CD C 50.956 0.017 1 704 118 68 ARG H H 8.287 0.009 1 705 118 68 ARG HA H 4.225 0.013 1 706 118 68 ARG HB2 H 1.775 0.006 2 707 118 68 ARG HB3 H 1.684 0.009 2 708 118 68 ARG HG2 H 1.590 0.009 2 709 118 68 ARG HG3 H 1.594 0.004 2 710 118 68 ARG HD2 H 3.142 0.015 2 711 118 68 ARG HD3 H 3.118 0.010 2 712 118 68 ARG C C 176.344 0.000 1 713 118 68 ARG CA C 56.202 0.019 1 714 118 68 ARG CB C 31.270 0.039 1 715 118 68 ARG CG C 27.172 0.035 1 716 118 68 ARG CD C 43.456 0.067 1 717 118 68 ARG N N 121.257 0.053 1 718 119 69 ALA H H 8.344 0.009 1 719 119 69 ALA HA H 4.240 0.013 1 720 119 69 ALA HB H 1.315 0.003 1 721 119 69 ALA C C 177.256 0.000 1 722 119 69 ALA CA C 52.548 0.072 1 723 119 69 ALA CB C 19.435 0.000 1 724 119 69 ALA N N 124.909 0.052 1 725 120 70 ALA H H 8.144 0.010 1 726 120 70 ALA HA H 4.237 0.015 1 727 120 70 ALA HB H 1.317 0.006 1 728 120 70 ALA C C 177.434 0.000 1 729 120 70 ALA CA C 52.503 0.066 1 730 120 70 ALA CB C 19.607 0.000 1 731 120 70 ALA N N 123.145 0.063 1 732 121 71 ALA H H 8.175 0.009 1 733 121 71 ALA HA H 4.276 0.011 1 734 121 71 ALA HB H 1.334 0.018 1 735 121 71 ALA C C 177.497 0.000 1 736 121 71 ALA CA C 52.526 0.116 1 737 121 71 ALA CB C 19.652 0.092 1 738 121 71 ALA N N 122.898 0.057 1 739 122 72 LYS H H 8.270 0.008 1 740 122 72 LYS HA H 4.288 0.007 1 741 122 72 LYS HB2 H 1.790 0.000 2 742 122 72 LYS HB3 H 1.711 0.012 2 743 122 72 LYS HG2 H 1.382 0.014 2 744 122 72 LYS HG3 H 1.435 0.000 2 745 122 72 LYS HD2 H 1.617 0.012 2 746 122 72 LYS HD3 H 1.641 0.015 2 747 122 72 LYS HE2 H 2.934 0.008 2 748 122 72 LYS HE3 H 2.973 0.005 2 749 122 72 LYS C C 176.699 0.000 1 750 122 72 LYS CA C 56.340 0.093 1 751 122 72 LYS CB C 33.465 0.000 1 752 122 72 LYS CG C 24.753 0.118 1 753 122 72 LYS CD C 29.038 0.112 1 754 122 72 LYS CE C 42.112 0.001 1 755 122 72 LYS N N 120.199 0.047 1 756 123 73 GLU H H 8.510 0.007 1 757 123 73 GLU HA H 4.149 0.014 1 758 123 73 GLU HB2 H 1.922 0.008 2 759 123 73 GLU HB3 H 1.937 0.000 2 760 123 73 GLU HG2 H 2.192 0.009 2 761 123 73 GLU HG3 H 2.202 0.000 2 762 123 73 GLU C C 176.621 0.000 1 763 123 73 GLU CA C 57.163 0.116 1 764 123 73 GLU CB C 30.195 0.155 1 765 123 73 GLU CG C 36.413 0.117 1 766 123 73 GLU N N 121.574 0.059 1 767 124 74 THR H H 7.874 0.011 1 768 124 74 THR HA H 4.237 0.011 1 769 124 74 THR HB H 4.125 0.010 1 770 124 74 THR HG2 H 1.068 0.005 1 771 124 74 THR C C 174.106 0.000 1 772 124 74 THR CA C 61.710 0.058 1 773 124 74 THR CB C 69.961 0.103 1 774 124 74 THR CG2 C 21.798 0.063 1 775 124 74 THR N N 112.720 0.083 1 776 125 75 ASP H H 8.138 0.009 1 777 125 75 ASP HA H 4.531 0.012 1 778 125 75 ASP HB2 H 2.530 0.016 2 779 125 75 ASP HB3 H 2.529 0.018 2 780 125 75 ASP C C 175.892 0.000 1 781 125 75 ASP CA C 54.486 0.003 1 782 125 75 ASP CB C 41.310 0.011 1 783 125 75 ASP N N 122.220 0.051 1 784 126 76 PHE H H 8.129 0.002 1 785 126 76 PHE HA H 4.494 0.017 1 786 126 76 PHE HB2 H 2.861 0.003 2 787 126 76 PHE HB3 H 2.978 0.004 2 788 126 76 PHE HD1 H 7.139 0.013 3 789 126 76 PHE HD2 H 7.139 0.013 3 790 126 76 PHE C C 176.201 0.000 1 791 126 76 PHE CA C 58.198 0.098 1 792 126 76 PHE CB C 39.511 0.048 1 793 126 76 PHE CD1 C 131.742 0.034 3 794 126 76 PHE CD2 C 131.742 0.034 3 795 126 76 PHE N N 120.262 0.024 1 796 127 77 GLY H H 8.274 0.007 1 797 127 77 GLY HA2 H 3.824 0.006 2 798 127 77 GLY HA3 H 3.817 0.000 2 799 127 77 GLY C C 174.164 0.000 1 800 127 77 GLY CA C 45.653 0.026 1 801 127 77 GLY N N 110.244 0.040 1 802 128 78 TRP H H 7.854 0.008 1 803 128 78 TRP HA H 4.583 0.009 1 804 128 78 TRP HB2 H 3.214 0.004 2 805 128 78 TRP HB3 H 3.240 0.020 2 806 128 78 TRP HD1 H 7.185 0.004 1 807 128 78 TRP HE1 H 10.063 0.003 1 808 128 78 TRP HE3 H 7.488 0.005 1 809 128 78 TRP HZ2 H 7.355 0.007 1 810 128 78 TRP HZ3 H 7.105 0.004 1 811 128 78 TRP HH2 H 7.037 0.005 1 812 128 78 TRP C C 176.387 0.000 1 813 128 78 TRP CA C 57.759 0.061 1 814 128 78 TRP CB C 29.746 0.024 1 815 128 78 TRP CD1 C 127.033 0.049 1 816 128 78 TRP CE3 C 120.700 0.047 1 817 128 78 TRP CZ2 C 114.493 0.030 1 818 128 78 TRP CZ3 C 124.414 0.040 1 819 128 78 TRP CH2 C 121.877 0.025 1 820 128 78 TRP N N 120.677 0.056 1 821 128 78 TRP NE1 N 129.326 0.021 1 822 129 79 GLU H H 8.399 0.008 1 823 129 79 GLU HA H 4.104 0.003 1 824 129 79 GLU HB2 H 1.790 0.001 2 825 129 79 GLU HB3 H 1.788 0.001 2 826 129 79 GLU HG2 H 2.040 0.004 2 827 129 79 GLU HG3 H 2.042 0.003 2 828 129 79 GLU C C 176.255 0.000 1 829 129 79 GLU CA C 57.240 0.027 1 830 129 79 GLU CB C 30.324 0.073 1 831 129 79 GLU CG C 36.375 0.051 1 832 129 79 GLU N N 121.560 0.066 1 833 130 80 GLN H H 8.117 0.004 1 834 130 80 GLN HA H 4.217 0.013 1 835 130 80 GLN HB2 H 2.015 0.000 2 836 130 80 GLN HB3 H 1.940 0.020 2 837 130 80 GLN HG2 H 2.260 0.009 2 838 130 80 GLN HG3 H 2.370 0.000 2 839 130 80 GLN HE21 H 7.518 0.003 1 840 130 80 GLN HE22 H 6.825 0.004 1 841 130 80 GLN C C 175.724 0.000 1 842 130 80 GLN CA C 56.195 0.027 1 843 130 80 GLN CB C 29.658 0.045 1 844 130 80 GLN CG C 34.010 0.039 1 845 130 80 GLN N N 120.507 0.006 1 846 130 80 GLN NE2 N 112.612 0.034 1 847 131 81 ILE H H 8.043 0.009 1 848 131 81 ILE HA H 4.127 0.008 1 849 131 81 ILE HB H 1.848 0.008 1 850 131 81 ILE HG12 H 1.157 0.023 2 851 131 81 ILE HG13 H 1.434 0.018 2 852 131 81 ILE HG2 H 0.895 0.014 1 853 131 81 ILE HD1 H 0.823 0.013 1 854 131 81 ILE C C 176.099 0.000 1 855 131 81 ILE CA C 61.418 0.096 1 856 131 81 ILE CB C 38.753 0.061 1 857 131 81 ILE CG1 C 27.475 0.035 1 858 131 81 ILE CG2 C 17.710 0.085 1 859 131 81 ILE CD1 C 13.116 0.019 1 860 131 81 ILE N N 121.917 0.052 1 861 132 82 LEU H H 8.266 0.009 1 862 132 82 LEU HA H 4.435 0.010 1 863 132 82 LEU HB2 H 1.642 0.016 2 864 132 82 LEU HB3 H 1.658 0.000 2 865 132 82 LEU HG H 1.581 0.004 1 866 132 82 LEU HD1 H 0.892 0.002 2 867 132 82 LEU HD2 H 0.829 0.004 2 868 132 82 LEU C C 177.239 0.000 1 869 132 82 LEU CA C 55.161 0.059 1 870 132 82 LEU CB C 42.404 0.064 1 871 132 82 LEU CG C 26.848 0.000 1 872 132 82 LEU CD1 C 23.403 0.124 2 873 132 82 LEU CD2 C 25.061 0.000 2 874 132 82 LEU N N 125.652 0.046 1 875 133 83 THR H H 8.031 0.009 1 876 133 83 THR HA H 4.231 0.013 1 877 133 83 THR HB H 4.211 0.013 1 878 133 83 THR HG2 H 1.110 0.012 1 879 133 83 THR C C 174.103 0.000 1 880 133 83 THR CA C 61.850 0.079 1 881 133 83 THR CB C 70.011 0.082 1 882 133 83 THR CG2 C 21.773 0.066 1 883 133 83 THR N N 114.237 0.047 1 884 134 84 ASP H H 8.288 0.009 1 885 134 84 ASP HA H 4.616 0.005 1 886 134 84 ASP HB2 H 2.691 0.000 2 887 134 84 ASP HB3 H 2.602 0.011 2 888 134 84 ASP C C 176.038 0.000 1 889 134 84 ASP CA C 54.601 0.069 1 890 134 84 ASP CB C 41.288 0.000 1 891 134 84 ASP N N 122.360 0.048 1 892 135 85 VAL H H 7.934 0.009 1 893 135 85 VAL HA H 4.105 0.008 1 894 135 85 VAL HB H 2.052 0.008 1 895 135 85 VAL HG1 H 0.896 0.013 1 896 135 85 VAL C C 175.992 0.000 1 897 135 85 VAL CA C 62.340 0.106 1 898 135 85 VAL CB C 33.053 0.002 1 899 135 85 VAL CG1 C 21.023 0.092 1 900 135 85 VAL N N 119.071 0.050 1 901 136 86 GLU H H 8.385 0.015 1 902 136 86 GLU HA H 4.293 0.007 1 903 136 86 GLU HB2 H 1.976 0.018 2 904 136 86 GLU HB3 H 2.032 0.023 2 905 136 86 GLU HG2 H 2.213 0.009 2 906 136 86 GLU HG3 H 2.219 0.006 2 907 136 86 GLU C C 176.214 0.000 1 908 136 86 GLU CA C 56.651 0.070 1 909 136 86 GLU CB C 30.613 0.023 1 910 136 86 GLU CG C 36.467 0.101 1 911 136 86 GLU N N 124.266 0.047 1 912 137 87 VAL H H 8.139 0.008 1 913 137 87 VAL HA H 4.126 0.010 1 914 137 87 VAL HB H 2.046 0.015 1 915 137 87 VAL HG2 H 0.901 0.010 1 916 137 87 VAL C C 175.976 0.000 1 917 137 87 VAL CA C 62.187 0.080 1 918 137 87 VAL CB C 33.140 0.083 1 919 137 87 VAL CG2 C 21.049 0.113 1 920 137 87 VAL N N 121.477 0.055 1 921 138 88 SER H H 8.429 0.010 1 922 138 88 SER HA H 4.342 0.000 1 923 138 88 SER HB2 H 3.816 0.000 1 924 138 88 SER HB3 H 3.816 0.000 1 925 138 88 SER C C 172.871 0.000 1 926 138 88 SER CA C 56.286 0.000 1 927 138 88 SER CB C 63.474 0.000 1 928 138 88 SER N N 120.905 0.053 1 929 139 89 PRO HA H 4.410 0.012 1 930 139 89 PRO HB2 H 1.927 0.018 2 931 139 89 PRO HB3 H 2.281 0.011 2 932 139 89 PRO HG2 H 2.008 0.012 2 933 139 89 PRO HG3 H 2.024 0.000 2 934 139 89 PRO C C 177.045 0.000 1 935 139 89 PRO CA C 63.588 0.099 1 936 139 89 PRO CB C 32.235 0.111 1 937 139 89 PRO CG C 27.594 0.114 1 938 139 89 PRO CD C 50.896 0.000 1 939 140 90 GLN H H 8.407 0.008 1 940 140 90 GLN HA H 4.269 0.012 1 941 140 90 GLN HB2 H 1.980 0.007 2 942 140 90 GLN HB3 H 2.094 0.007 2 943 140 90 GLN HG2 H 2.361 0.007 2 944 140 90 GLN HG3 H 2.270 0.000 2 945 140 90 GLN HE21 H 7.494 0.003 1 946 140 90 GLN HE22 H 6.791 0.002 1 947 140 90 GLN C C 176.142 0.000 1 948 140 90 GLN CA C 56.195 0.000 1 949 140 90 GLN CB C 29.695 0.001 1 950 140 90 GLN CG C 33.976 0.026 1 951 140 90 GLN N N 120.148 0.043 1 952 140 90 GLN NE2 N 112.220 0.029 1 953 141 91 GLU H H 8.372 0.009 1 954 141 91 GLU HA H 4.255 0.008 1 955 141 91 GLU HB2 H 1.954 0.008 2 956 141 91 GLU HB3 H 2.030 0.008 2 957 141 91 GLU HG2 H 2.247 0.011 2 958 141 91 GLU HG3 H 2.198 0.000 2 959 141 91 GLU C C 177.031 0.000 1 960 141 91 GLU CA C 57.066 0.117 1 961 141 91 GLU CB C 30.239 0.000 1 962 141 91 GLU CG C 36.358 0.115 1 963 141 91 GLU N N 121.906 0.051 1 964 142 92 GLY H H 8.439 0.009 1 965 142 92 GLY HA2 H 3.936 0.003 2 966 142 92 GLY HA3 H 3.941 0.000 2 967 142 92 GLY C C 174.035 0.000 1 968 142 92 GLY CA C 45.483 0.017 1 969 142 92 GLY N N 109.893 0.064 1 970 143 93 CYS H H 8.129 0.008 1 971 143 93 CYS HA H 4.523 0.006 1 972 143 93 CYS HB2 H 2.903 0.006 1 973 143 93 CYS HB3 H 2.904 0.000 1 974 143 93 CYS C C 174.684 0.000 1 975 143 93 CYS CA C 58.616 0.055 1 976 143 93 CYS CB C 28.303 0.034 1 977 143 93 CYS N N 118.750 0.060 1 978 144 94 ILE H H 8.283 0.009 1 979 144 94 ILE HA H 4.242 0.008 1 980 144 94 ILE HB H 1.878 0.005 1 981 144 94 ILE HG12 H 1.455 0.010 2 982 144 94 ILE HG13 H 1.172 0.011 2 983 144 94 ILE HG2 H 0.900 0.004 1 984 144 94 ILE HD1 H 0.827 0.011 1 985 144 94 ILE C C 176.356 0.000 1 986 144 94 ILE CA C 61.464 0.075 1 987 144 94 ILE CB C 38.870 0.028 1 988 144 94 ILE CG1 C 27.482 0.101 1 989 144 94 ILE CG2 C 17.718 0.072 1 990 144 94 ILE CD1 C 13.081 0.113 1 991 144 94 ILE N N 123.351 0.051 1 992 145 95 THR H H 8.223 0.009 1 993 145 95 THR HA H 4.311 0.001 1 994 145 95 THR HB H 4.138 0.001 1 995 145 95 THR HG2 H 1.155 0.000 1 996 145 95 THR C C 174.114 0.000 1 997 145 95 THR CA C 62.220 0.007 1 998 145 95 THR CB C 69.808 0.024 1 999 145 95 THR CG2 C 21.759 0.000 1 1000 145 95 THR N N 119.093 0.040 1 1001 146 96 LYS H H 8.297 0.008 1 1002 146 96 LYS HA H 4.374 0.016 1 1003 146 96 LYS HB2 H 1.724 0.004 2 1004 146 96 LYS HB3 H 1.802 0.007 2 1005 146 96 LYS HG2 H 1.379 0.012 2 1006 146 96 LYS HG3 H 1.389 0.000 2 1007 146 96 LYS HD2 H 1.624 0.010 2 1008 146 96 LYS HD3 H 1.639 0.000 2 1009 146 96 LYS HE2 H 2.925 0.001 2 1010 146 96 LYS HE3 H 2.927 0.000 2 1011 146 96 LYS C C 176.231 0.000 1 1012 146 96 LYS CA C 56.308 0.041 1 1013 146 96 LYS CB C 33.454 0.018 1 1014 146 96 LYS CG C 24.852 0.099 1 1015 146 96 LYS CD C 29.026 0.116 1 1016 146 96 LYS CE C 42.087 0.061 1 1017 146 96 LYS N N 124.629 0.040 1 1018 147 97 ILE H H 8.246 0.008 1 1019 147 97 ILE HA H 4.176 0.008 1 1020 147 97 ILE HB H 1.849 0.007 1 1021 147 97 ILE HG12 H 1.446 0.007 2 1022 147 97 ILE HG13 H 1.167 0.009 2 1023 147 97 ILE HG2 H 0.890 0.010 1 1024 147 97 ILE HD1 H 0.835 0.013 1 1025 147 97 ILE C C 176.243 0.000 1 1026 147 97 ILE CA C 61.363 0.067 1 1027 147 97 ILE CB C 38.938 0.046 1 1028 147 97 ILE CG1 C 27.476 0.110 1 1029 147 97 ILE CG2 C 17.728 0.121 1 1030 147 97 ILE CD1 C 13.171 0.089 1 1031 147 97 ILE N N 122.693 0.042 1 1032 148 98 SER H H 8.302 0.009 1 1033 148 98 SER HA H 4.436 0.018 1 1034 148 98 SER HB2 H 3.837 0.007 2 1035 148 98 SER HB3 H 3.847 0.000 2 1036 148 98 SER C C 174.552 0.000 1 1037 148 98 SER CA C 58.526 0.105 1 1038 148 98 SER CB C 64.030 0.103 1 1039 148 98 SER N N 119.456 0.051 1 1040 149 99 GLU H H 8.458 0.008 1 1041 149 99 GLU HA H 4.266 0.006 1 1042 149 99 GLU HB2 H 2.027 0.008 2 1043 149 99 GLU HB3 H 1.915 0.009 2 1044 149 99 GLU HG2 H 2.223 0.009 2 1045 149 99 GLU HG3 H 2.237 0.000 2 1046 149 99 GLU C C 176.050 0.000 1 1047 149 99 GLU CA C 56.990 0.069 1 1048 149 99 GLU CB C 30.644 0.032 1 1049 149 99 GLU CG C 36.439 0.114 1 1050 149 99 GLU N N 123.074 0.048 1 1051 150 100 ASP H H 8.335 0.009 1 1052 150 100 ASP HA H 4.594 0.008 1 1053 150 100 ASP HB2 H 2.709 0.003 2 1054 150 100 ASP HB3 H 2.583 0.009 2 1055 150 100 ASP C C 176.330 0.000 1 1056 150 100 ASP CA C 54.358 0.082 1 1057 150 100 ASP CB C 41.292 0.015 1 1058 150 100 ASP N N 120.974 0.049 1 1059 151 101 LEU H H 8.232 0.009 1 1060 151 101 LEU HA H 4.282 0.009 1 1061 151 101 LEU HB2 H 1.642 0.012 2 1062 151 101 LEU HB3 H 1.632 0.012 2 1063 151 101 LEU HG H 1.595 0.013 1 1064 151 101 LEU HD1 H 0.849 0.025 2 1065 151 101 LEU HD2 H 0.879 0.019 2 1066 151 101 LEU C C 178.165 0.000 1 1067 151 101 LEU CA C 55.707 0.131 1 1068 151 101 LEU CB C 42.160 0.162 1 1069 151 101 LEU CG C 27.116 0.034 1 1070 151 101 LEU CD1 C 23.595 0.119 2 1071 151 101 LEU CD2 C 25.245 0.119 2 1072 151 101 LEU N N 123.113 0.050 1 1073 152 102 GLY H H 8.459 0.008 1 1074 152 102 GLY HA2 H 3.960 0.009 2 1075 152 102 GLY HA3 H 3.963 0.013 2 1076 152 102 GLY C C 174.585 0.000 1 1077 152 102 GLY CA C 45.758 0.033 1 1078 152 102 GLY N N 109.218 0.043 1 1079 153 103 SER H H 8.101 0.008 1 1080 153 103 SER HA H 4.400 0.008 1 1081 153 103 SER HB2 H 3.873 0.006 2 1082 153 103 SER HB3 H 3.878 0.001 2 1083 153 103 SER C C 174.786 0.000 1 1084 153 103 SER CA C 58.773 0.020 1 1085 153 103 SER CB C 64.029 0.097 1 1086 153 103 SER N N 115.453 0.056 1 1087 154 104 GLU H H 8.544 0.009 1 1088 154 104 GLU HA H 4.238 0.007 1 1089 154 104 GLU HB2 H 2.016 0.009 2 1090 154 104 GLU HB3 H 1.942 0.008 2 1091 154 104 GLU HG2 H 2.218 0.008 2 1092 154 104 GLU HG3 H 2.233 0.000 2 1093 154 104 GLU C C 176.492 0.000 1 1094 154 104 GLU CA C 57.202 0.039 1 1095 154 104 GLU CB C 30.209 0.157 1 1096 154 104 GLU CG C 36.351 0.118 1 1097 154 104 GLU N N 122.670 0.056 1 1098 155 105 LYS H H 8.129 0.008 1 1099 155 105 LYS HA H 4.217 0.014 1 1100 155 105 LYS HB2 H 1.643 0.014 2 1101 155 105 LYS HB3 H 1.674 0.005 2 1102 155 105 LYS HG2 H 1.282 0.016 2 1103 155 105 LYS HG3 H 1.257 0.001 2 1104 155 105 LYS HD2 H 1.621 0.004 2 1105 155 105 LYS HD3 H 1.619 0.003 2 1106 155 105 LYS HE2 H 2.937 0.005 2 1107 155 105 LYS HE3 H 2.937 0.000 2 1108 155 105 LYS C C 176.153 0.000 1 1109 155 105 LYS CA C 56.645 0.086 1 1110 155 105 LYS CB C 33.184 0.039 1 1111 155 105 LYS CG C 24.811 0.082 1 1112 155 105 LYS CD C 29.090 0.002 1 1113 155 105 LYS CE C 42.050 0.001 1 1114 155 105 LYS N N 121.098 0.053 1 1115 156 106 PHE H H 8.115 0.002 1 1116 156 106 PHE HA H 4.639 0.005 1 1117 156 106 PHE HB2 H 3.004 0.004 2 1118 156 106 PHE HB3 H 3.124 0.009 2 1119 156 106 PHE HD1 H 7.183 0.001 3 1120 156 106 PHE HD2 H 7.183 0.001 3 1121 156 106 PHE HE1 H 7.259 0.000 3 1122 156 106 PHE HE2 H 7.259 0.000 3 1123 156 106 PHE HZ H 7.212 0.008 1 1124 156 106 PHE C C 175.398 0.000 1 1125 156 106 PHE CA C 57.750 0.115 1 1126 156 106 PHE CB C 39.923 0.065 1 1127 156 106 PHE CD1 C 131.729 0.016 3 1128 156 106 PHE CD2 C 131.729 0.016 3 1129 156 106 PHE CE1 C 131.270 0.000 3 1130 156 106 PHE CE2 C 131.270 0.000 3 1131 156 106 PHE CZ C 129.640 0.006 1 1132 156 106 PHE N N 120.374 0.009 1 1133 157 107 CYS H H 8.217 0.008 1 1134 157 107 CYS HA H 4.517 0.009 1 1135 157 107 CYS HB2 H 2.853 0.004 2 1136 157 107 CYS HB3 H 2.856 0.000 2 1137 157 107 CYS C C 174.315 0.000 1 1138 157 107 CYS CA C 58.322 0.207 1 1139 157 107 CYS CB C 28.452 0.065 1 1140 157 107 CYS N N 121.137 0.062 1 1141 158 108 VAL H H 8.245 0.011 1 1142 158 108 VAL HA H 4.066 0.015 1 1143 158 108 VAL HB H 2.065 0.007 1 1144 158 108 VAL HG1 H 0.907 0.009 1 1145 158 108 VAL C C 175.673 0.000 1 1146 158 108 VAL CA C 62.512 0.027 1 1147 158 108 VAL CB C 33.068 0.040 1 1148 158 108 VAL CG1 C 21.181 0.115 1 1149 158 108 VAL N N 122.426 0.061 1 1150 159 109 ASP H H 8.302 0.009 1 1151 159 109 ASP HA H 4.585 0.007 1 1152 159 109 ASP HB2 H 2.706 0.014 2 1153 159 109 ASP HB3 H 2.611 0.024 2 1154 159 109 ASP C C 176.348 0.000 1 1155 159 109 ASP CA C 54.344 0.000 1 1156 159 109 ASP CB C 41.618 0.031 1 1157 159 109 ASP N N 123.630 0.051 1 1158 160 110 ALA H H 8.337 0.008 1 1159 160 110 ALA HA H 4.213 0.008 1 1160 160 110 ALA HB H 1.383 0.012 1 1161 160 110 ALA C C 178.015 0.000 1 1162 160 110 ALA CA C 53.357 0.136 1 1163 160 110 ALA CB C 19.170 0.095 1 1164 160 110 ALA N N 125.219 0.052 1 1165 161 111 ASN H H 8.413 0.007 1 1166 161 111 ASN HA H 4.653 0.007 1 1167 161 111 ASN HB2 H 2.811 0.003 2 1168 161 111 ASN HB3 H 2.861 0.003 2 1169 161 111 ASN HD21 H 7.696 0.003 1 1170 161 111 ASN HD22 H 6.916 0.003 1 1171 161 111 ASN C C 175.658 0.000 1 1172 161 111 ASN CA C 53.804 0.064 1 1173 161 111 ASN CB C 38.993 0.055 1 1174 161 111 ASN N N 116.445 0.051 1 1175 161 111 ASN ND2 N 113.240 0.027 1 1176 162 112 GLN H H 8.093 0.010 1 1177 162 112 GLN HA H 4.283 0.012 1 1178 162 112 GLN HB2 H 2.013 0.005 2 1179 162 112 GLN HB3 H 2.171 0.001 2 1180 162 112 GLN HG2 H 2.355 0.008 2 1181 162 112 GLN HG3 H 2.358 0.010 2 1182 162 112 GLN HE21 H 7.563 0.003 1 1183 162 112 GLN HE22 H 6.836 0.003 1 1184 162 112 GLN C C 176.069 0.000 1 1185 162 112 GLN CA C 56.338 0.107 1 1186 162 112 GLN CB C 29.469 0.014 1 1187 162 112 GLN CG C 33.880 0.114 1 1188 162 112 GLN N N 119.852 0.061 1 1189 162 112 GLN NE2 N 112.348 0.018 1 1190 163 113 ALA H H 8.287 0.009 1 1191 163 113 ALA HA H 4.294 0.010 1 1192 163 113 ALA HB H 1.401 0.009 1 1193 163 113 ALA C C 178.336 0.000 1 1194 163 113 ALA CA C 53.327 0.146 1 1195 163 113 ALA CB C 19.322 0.023 1 1196 163 113 ALA N N 124.311 0.053 1 1197 164 114 GLY H H 8.357 0.009 1 1198 164 114 GLY HA2 H 3.962 0.007 2 1199 164 114 GLY HA3 H 3.963 0.007 2 1200 164 114 GLY C C 174.547 0.000 1 1201 164 114 GLY CA C 45.689 0.047 1 1202 164 114 GLY N N 107.761 0.062 1 1203 165 115 ALA H H 8.203 0.011 1 1204 165 115 ALA HA H 4.290 0.009 1 1205 165 115 ALA HB H 1.412 0.014 1 1206 165 115 ALA C C 178.244 0.000 1 1207 165 115 ALA CA C 53.518 0.000 1 1208 165 115 ALA CB C 19.295 0.031 1 1209 165 115 ALA N N 123.681 0.073 1 1210 166 116 GLY H H 8.459 0.011 1 1211 166 116 GLY HA2 H 3.957 0.010 2 1212 166 116 GLY HA3 H 3.962 0.005 2 1213 166 116 GLY C C 174.954 0.000 1 1214 166 116 GLY CA C 45.586 0.083 1 1215 166 116 GLY N N 106.409 0.076 1 1216 167 117 SER H H 8.067 0.008 1 1217 167 117 SER HA H 4.280 0.006 1 1218 167 117 SER HB2 H 3.978 0.014 2 1219 167 117 SER HB3 H 3.997 0.000 2 1220 167 117 SER C C 175.557 0.000 1 1221 167 117 SER CA C 60.394 0.113 1 1222 167 117 SER CB C 63.792 0.166 1 1223 167 117 SER N N 116.445 0.049 1 1224 168 118 TRP H H 8.188 0.003 1 1225 168 118 TRP HA H 4.290 0.003 1 1226 168 118 TRP HB2 H 3.414 0.007 2 1227 168 118 TRP HB3 H 3.366 0.011 2 1228 168 118 TRP HD1 H 7.611 0.008 1 1229 168 118 TRP HE1 H 10.390 0.004 1 1230 168 118 TRP HE3 H 7.081 0.004 1 1231 168 118 TRP HZ2 H 7.298 0.006 1 1232 168 118 TRP HZ3 H 6.219 0.005 1 1233 168 118 TRP HH2 H 6.061 0.004 1 1234 168 118 TRP C C 175.980 0.000 1 1235 168 118 TRP CA C 58.193 0.028 1 1236 168 118 TRP CB C 27.867 0.042 1 1237 168 118 TRP CD1 C 126.623 0.032 1 1238 168 118 TRP CE3 C 119.129 0.030 1 1239 168 118 TRP CZ2 C 113.856 0.034 1 1240 168 118 TRP CZ3 C 125.459 0.040 1 1241 168 118 TRP CH2 C 121.259 0.025 1 1242 168 118 TRP N N 121.206 0.025 1 1243 168 118 TRP NE1 N 130.445 0.025 1 1244 169 119 LEU H H 6.611 0.007 1 1245 169 119 LEU HA H 3.184 0.011 1 1246 169 119 LEU HB2 H 1.000 0.007 2 1247 169 119 LEU HB3 H 1.208 0.005 2 1248 169 119 LEU HG H -0.062 0.007 1 1249 169 119 LEU HD1 H 0.270 0.008 2 1250 169 119 LEU HD2 H -0.266 0.010 2 1251 169 119 LEU C C 178.760 0.000 1 1252 169 119 LEU CA C 57.390 0.017 1 1253 169 119 LEU CB C 41.436 0.040 1 1254 169 119 LEU CG C 27.226 0.033 1 1255 169 119 LEU CD1 C 25.977 0.024 2 1256 169 119 LEU CD2 C 24.056 0.040 2 1257 169 119 LEU N N 119.610 0.049 1 1258 170 120 LYS H H 7.538 0.009 1 1259 170 120 LYS HA H 3.988 0.009 1 1260 170 120 LYS HB2 H 1.676 0.001 2 1261 170 120 LYS HB3 H 1.533 0.002 2 1262 170 120 LYS HG2 H 0.654 0.015 2 1263 170 120 LYS HG3 H 1.191 0.005 2 1264 170 120 LYS HD2 H 1.454 0.009 2 1265 170 120 LYS HD3 H 1.415 0.008 2 1266 170 120 LYS HE2 H 2.690 0.004 2 1267 170 120 LYS HE3 H 2.688 0.000 2 1268 170 120 LYS C C 176.334 0.000 1 1269 170 120 LYS CA C 57.649 0.000 1 1270 170 120 LYS CB C 31.578 0.064 1 1271 170 120 LYS CG C 24.151 0.022 1 1272 170 120 LYS CD C 29.632 0.065 1 1273 170 120 LYS CE C 42.250 0.030 1 1274 170 120 LYS N N 116.702 0.047 1 1275 171 121 TYR H H 7.541 0.007 1 1276 171 121 TYR HA H 4.151 0.005 1 1277 171 121 TYR HB2 H 3.166 0.014 2 1278 171 121 TYR HB3 H 2.772 0.007 2 1279 171 121 TYR HD1 H 7.263 0.014 3 1280 171 121 TYR HD2 H 7.263 0.014 3 1281 171 121 TYR HE1 H 6.750 0.003 3 1282 171 121 TYR HE2 H 6.750 0.003 3 1283 171 121 TYR C C 173.801 0.000 1 1284 171 121 TYR CA C 59.410 0.067 1 1285 171 121 TYR CB C 38.753 0.060 1 1286 171 121 TYR CD1 C 133.173 0.021 3 1287 171 121 TYR CD2 C 133.173 0.021 3 1288 171 121 TYR CE1 C 117.691 0.008 3 1289 171 121 TYR CE2 C 117.691 0.008 3 1290 171 121 TYR N N 118.331 0.044 1 1291 172 122 ILE H H 6.845 0.008 1 1292 172 122 ILE HA H 3.853 0.003 1 1293 172 122 ILE HB H 1.644 0.017 1 1294 172 122 ILE HG12 H 1.602 0.004 2 1295 172 122 ILE HG13 H 0.700 0.013 2 1296 172 122 ILE HG2 H 0.643 0.006 1 1297 172 122 ILE HD1 H 0.342 0.008 1 1298 172 122 ILE C C 176.981 0.000 1 1299 172 122 ILE CA C 63.362 0.000 1 1300 172 122 ILE CB C 37.455 0.072 1 1301 172 122 ILE CG1 C 29.048 0.018 1 1302 172 122 ILE CG2 C 17.039 0.041 1 1303 172 122 ILE CD1 C 14.282 0.038 1 1304 172 122 ILE N N 117.899 0.047 1 1305 173 123 ARG H H 9.231 0.014 1 1306 173 123 ARG HA H 4.298 0.002 1 1307 173 123 ARG HB2 H 1.854 0.007 1 1308 173 123 ARG HG2 H 1.318 0.000 1 1309 173 123 ARG HG3 H 1.318 0.000 1 1310 173 123 ARG HD2 H 3.158 0.000 1 1311 173 123 ARG HD3 H 3.158 0.000 1 1312 173 123 ARG CD C 43.546 0.000 1 1313 173 123 ARG N N 130.233 0.076 1 1314 174 124 VAL H H 7.786 0.015 1 1315 174 124 VAL HA H 4.353 0.003 1 1316 174 124 VAL HB H 1.858 0.002 1 1317 174 124 VAL HG1 H 0.760 0.004 2 1318 174 124 VAL HG2 H 0.981 0.003 2 1319 174 124 VAL C C 176.012 0.000 1 1320 174 124 VAL CA C 60.996 0.007 1 1321 174 124 VAL CB C 32.766 0.000 1 1322 174 124 VAL CG1 C 21.827 0.028 2 1323 174 124 VAL CG2 C 21.854 0.033 2 1324 174 124 VAL N N 118.466 0.070 1 1325 175 125 ALA H H 8.472 0.009 1 1326 175 125 ALA HA H 4.157 0.006 1 1327 175 125 ALA HB H 1.283 0.006 1 1328 175 125 ALA C C 177.573 0.000 1 1329 175 125 ALA CA C 51.798 0.097 1 1330 175 125 ALA CB C 20.074 0.053 1 1331 175 125 ALA N N 127.025 0.065 1 1332 176 126 CYS H H 9.365 0.007 1 1333 176 126 CYS HA H 4.415 0.009 1 1334 176 126 CYS HB2 H 3.037 0.020 2 1335 176 126 CYS HB3 H 3.002 0.009 2 1336 176 126 CYS C C 175.079 0.000 1 1337 176 126 CYS CA C 60.590 0.041 1 1338 176 126 CYS CB C 28.088 0.041 1 1339 176 126 CYS N N 119.623 0.047 1 1340 177 127 SER H H 8.067 0.006 1 1341 177 127 SER HA H 4.589 0.003 1 1342 177 127 SER HB2 H 3.964 0.010 2 1343 177 127 SER HB3 H 3.784 0.002 2 1344 177 127 SER C C 174.567 0.000 1 1345 177 127 SER CA C 56.587 0.039 1 1346 177 127 SER CB C 65.483 0.067 1 1347 177 127 SER N N 113.602 0.044 1 1348 178 128 CYS H H 8.728 0.023 1 1349 178 128 CYS HA H 3.963 0.012 1 1350 178 128 CYS HB2 H 2.906 0.004 2 1351 178 128 CYS HB3 H 2.779 0.005 2 1352 178 128 CYS CA C 60.671 0.094 1 1353 178 128 CYS CB C 27.058 0.055 1 1354 179 129 ASP H H 8.083 0.004 1 1355 179 129 ASP HA H 4.386 0.002 1 1356 179 129 ASP HB2 H 2.653 0.003 2 1357 179 129 ASP HB3 H 2.406 0.003 2 1358 179 129 ASP CA C 56.665 0.011 1 1359 179 129 ASP CB C 40.846 0.048 1 1360 179 129 ASP N N 120.127 0.054 1 1361 180 130 ASP H H 7.563 0.006 1 1362 180 130 ASP HA H 4.592 0.006 1 1363 180 130 ASP HB2 H 2.482 0.005 2 1364 180 130 ASP HB3 H 2.735 0.013 2 1365 180 130 ASP C C 175.532 0.000 1 1366 180 130 ASP CA C 53.916 0.000 1 1367 180 130 ASP CB C 41.785 0.049 1 1368 180 130 ASP N N 115.812 0.050 1 1369 181 131 GLN H H 7.008 0.008 1 1370 181 131 GLN HA H 3.784 0.008 1 1371 181 131 GLN HB2 H 1.874 0.005 2 1372 181 131 GLN HB3 H 2.066 0.009 2 1373 181 131 GLN HG2 H 2.333 0.003 2 1374 181 131 GLN HG3 H 2.432 0.006 2 1375 181 131 GLN HE21 H 7.536 0.007 1 1376 181 131 GLN HE22 H 6.910 0.004 1 1377 181 131 GLN C C 175.202 0.000 1 1378 181 131 GLN CA C 56.333 0.064 1 1379 181 131 GLN CB C 28.935 0.023 1 1380 181 131 GLN CG C 33.252 0.030 1 1381 181 131 GLN N N 118.433 0.060 1 1382 181 131 GLN NE2 N 110.347 0.032 1 1383 182 132 ASN H H 8.833 0.008 1 1384 182 132 ASN HA H 4.615 0.012 1 1385 182 132 ASN HB2 H 2.684 0.004 2 1386 182 132 ASN HB3 H 3.285 0.004 2 1387 182 132 ASN HD21 H 7.813 0.010 1 1388 182 132 ASN HD22 H 7.537 0.010 1 1389 182 132 ASN CA C 53.392 0.002 1 1390 182 132 ASN CB C 39.505 0.041 1 1391 182 132 ASN N N 118.522 0.054 1 1392 182 132 ASN ND2 N 111.348 0.025 1 1393 183 133 LEU H H 8.068 0.003 1 1394 183 133 LEU HA H 5.054 0.022 1 1395 183 133 LEU HB2 H 1.690 0.006 2 1396 183 133 LEU HB3 H 0.934 0.010 2 1397 183 133 LEU HG H 1.064 0.000 1 1398 183 133 LEU HD1 H 0.721 0.004 2 1399 183 133 LEU HD2 H 0.589 0.002 2 1400 183 133 LEU CA C 53.692 0.038 1 1401 183 133 LEU CB C 47.653 0.087 1 1402 183 133 LEU CG C 26.801 0.000 1 1403 183 133 LEU CD1 C 26.688 0.032 2 1404 183 133 LEU CD2 C 24.870 0.021 2 1405 183 133 LEU N N 119.730 0.013 1 1406 184 134 THR H H 9.113 0.009 1 1407 184 134 THR HA H 4.431 0.002 1 1408 184 134 THR HB H 3.974 0.004 1 1409 184 134 THR HG2 H 1.155 0.003 1 1410 184 134 THR C C 172.877 0.000 1 1411 184 134 THR CA C 59.674 0.000 1 1412 184 134 THR CB C 71.541 0.016 1 1413 184 134 THR CG2 C 20.773 0.036 1 1414 184 134 THR N N 115.683 0.052 1 1415 185 135 MET H H 8.449 0.011 1 1416 185 135 MET HA H 5.156 0.008 1 1417 185 135 MET HB2 H 2.236 0.011 2 1418 185 135 MET HB3 H 2.157 0.001 2 1419 185 135 MET HG2 H 2.152 0.002 2 1420 185 135 MET HG3 H 2.262 0.003 2 1421 185 135 MET HE H 1.762 0.001 1 1422 185 135 MET C C 175.239 0.000 1 1423 185 135 MET CA C 55.632 0.067 1 1424 185 135 MET CB C 35.096 0.004 1 1425 185 135 MET CG C 32.686 0.049 1 1426 185 135 MET CE C 17.372 0.033 1 1427 185 135 MET N N 123.282 0.069 1 1428 186 136 CYS H H 9.194 0.011 1 1429 186 136 CYS HA H 4.925 0.007 1 1430 186 136 CYS HB2 H 2.714 0.006 2 1431 186 136 CYS HB3 H 2.847 0.006 2 1432 186 136 CYS C C 171.570 0.000 1 1433 186 136 CYS CA C 56.433 0.000 1 1434 186 136 CYS CB C 31.289 0.040 1 1435 186 136 CYS N N 120.292 0.056 1 1436 187 137 GLN H H 8.701 0.007 1 1437 187 137 GLN HA H 5.298 0.011 1 1438 187 137 GLN HB2 H 1.919 0.004 2 1439 187 137 GLN HB3 H 1.793 0.007 2 1440 187 137 GLN HG2 H 2.092 0.004 2 1441 187 137 GLN HG3 H 2.119 0.004 2 1442 187 137 GLN HE21 H 7.328 0.008 1 1443 187 137 GLN HE22 H 6.701 0.003 1 1444 187 137 GLN C C 175.420 0.000 1 1445 187 137 GLN CA C 54.869 0.031 1 1446 187 137 GLN CB C 31.012 0.037 1 1447 187 137 GLN CG C 33.964 0.017 1 1448 187 137 GLN N N 122.693 0.063 1 1449 187 137 GLN NE2 N 110.272 0.023 1 1450 188 138 ILE H H 9.013 0.009 1 1451 188 138 ILE HA H 4.259 0.004 1 1452 188 138 ILE HB H 1.754 0.008 1 1453 188 138 ILE HG12 H 0.981 0.009 2 1454 188 138 ILE HG13 H 1.327 0.003 2 1455 188 138 ILE HG2 H 0.801 0.002 1 1456 188 138 ILE HD1 H 0.490 0.005 1 1457 188 138 ILE C C 176.085 0.000 1 1458 188 138 ILE CA C 61.016 0.000 1 1459 188 138 ILE CB C 40.103 0.041 1 1460 188 138 ILE CG1 C 27.270 0.025 1 1461 188 138 ILE CG2 C 17.275 0.019 1 1462 188 138 ILE CD1 C 13.124 0.035 1 1463 188 138 ILE N N 126.644 0.060 1 1464 189 139 SER H H 9.346 0.012 1 1465 189 139 SER HA H 3.955 0.006 1 1466 189 139 SER HB2 H 3.952 0.003 2 1467 189 139 SER HB3 H 3.952 0.002 2 1468 189 139 SER CA C 59.616 0.000 1 1469 189 139 SER CB C 61.866 0.081 1 1470 189 139 SER N N 124.370 0.068 1 1471 190 140 GLU H H 8.668 0.009 1 1472 190 140 GLU HA H 3.982 0.013 1 1473 190 140 GLU HB2 H 2.266 0.004 2 1474 190 140 GLU HB3 H 2.207 0.010 2 1475 190 140 GLU HG2 H 2.173 0.016 2 1476 190 140 GLU HG3 H 2.231 0.026 2 1477 190 140 GLU C C 175.244 0.000 1 1478 190 140 GLU CA C 57.580 0.150 1 1479 190 140 GLU CB C 28.437 0.000 1 1480 190 140 GLU CG C 36.841 0.007 1 1481 190 140 GLU N N 115.111 0.038 1 1482 191 141 GLN H H 7.982 0.006 1 1483 191 141 GLN HA H 4.642 0.010 1 1484 191 141 GLN HB2 H 2.271 0.000 2 1485 191 141 GLN HB3 H 2.155 0.002 2 1486 191 141 GLN HG2 H 2.410 0.003 2 1487 191 141 GLN HG3 H 2.248 0.006 2 1488 191 141 GLN HE21 H 7.469 0.003 1 1489 191 141 GLN HE22 H 6.835 0.005 1 1490 191 141 GLN C C 174.019 0.000 1 1491 191 141 GLN CA C 54.788 0.000 1 1492 191 141 GLN CB C 32.559 0.000 1 1493 191 141 GLN CG C 34.718 0.020 1 1494 191 141 GLN N N 118.304 0.040 1 1495 191 141 GLN NE2 N 111.660 0.042 1 1496 192 142 ILE H H 8.600 0.007 1 1497 192 142 ILE HA H 4.690 0.006 1 1498 192 142 ILE HB H 1.601 0.002 1 1499 192 142 ILE HG12 H 1.053 0.008 2 1500 192 142 ILE HG13 H 1.346 0.003 2 1501 192 142 ILE HG2 H 0.645 0.006 1 1502 192 142 ILE HD1 H 0.623 0.009 1 1503 192 142 ILE C C 174.643 0.000 1 1504 192 142 ILE CA C 59.866 0.000 1 1505 192 142 ILE CB C 38.634 0.033 1 1506 192 142 ILE CG1 C 27.936 0.025 1 1507 192 142 ILE CG2 C 18.195 0.033 1 1508 192 142 ILE CD1 C 12.306 0.026 1 1509 192 142 ILE N N 121.711 0.047 1 1510 193 143 TYR H H 8.824 0.007 1 1511 193 143 TYR HA H 4.842 0.007 1 1512 193 143 TYR HB2 H 2.837 0.012 2 1513 193 143 TYR HB3 H 2.577 0.022 2 1514 193 143 TYR HD1 H 6.769 0.004 3 1515 193 143 TYR HD2 H 6.769 0.004 3 1516 193 143 TYR HE1 H 6.600 0.006 3 1517 193 143 TYR HE2 H 6.600 0.006 3 1518 193 143 TYR C C 175.002 0.000 1 1519 193 143 TYR CA C 56.652 0.000 1 1520 193 143 TYR CB C 42.325 0.075 1 1521 193 143 TYR CD1 C 132.992 0.045 3 1522 193 143 TYR CD2 C 132.992 0.045 3 1523 193 143 TYR CE1 C 117.949 0.016 3 1524 193 143 TYR CE2 C 117.949 0.016 3 1525 193 143 TYR N N 123.373 0.052 1 1526 194 144 TYR H H 9.007 0.007 1 1527 194 144 TYR HA H 5.531 0.011 1 1528 194 144 TYR HB2 H 2.828 0.014 2 1529 194 144 TYR HB3 H 2.819 0.012 2 1530 194 144 TYR HD1 H 6.708 0.003 3 1531 194 144 TYR HD2 H 6.708 0.003 3 1532 194 144 TYR HE1 H 6.479 0.005 3 1533 194 144 TYR HE2 H 6.479 0.005 3 1534 194 144 TYR C C 175.218 0.000 1 1535 194 144 TYR CA C 55.513 0.009 1 1536 194 144 TYR CB C 40.378 0.007 1 1537 194 144 TYR CD1 C 131.337 0.042 3 1538 194 144 TYR CD2 C 131.337 0.042 3 1539 194 144 TYR CE1 C 117.987 0.031 3 1540 194 144 TYR CE2 C 117.987 0.031 3 1541 194 144 TYR N N 117.887 0.046 1 1542 195 145 LYS H H 9.183 0.009 1 1543 195 145 LYS HA H 5.191 0.012 1 1544 195 145 LYS HB2 H 1.515 0.007 2 1545 195 145 LYS HB3 H 1.608 0.004 2 1546 195 145 LYS HG2 H 1.246 0.002 2 1547 195 145 LYS HG3 H 1.166 0.002 2 1548 195 145 LYS HD2 H 1.538 0.006 2 1549 195 145 LYS HD3 H 1.627 0.006 2 1550 195 145 LYS HE2 H 2.814 0.004 2 1551 195 145 LYS HE3 H 2.815 0.005 2 1552 195 145 LYS C C 175.288 0.000 1 1553 195 145 LYS CA C 54.606 0.066 1 1554 195 145 LYS CB C 36.390 0.028 1 1555 195 145 LYS CG C 25.097 0.001 1 1556 195 145 LYS CD C 29.964 0.049 1 1557 195 145 LYS CE C 42.009 0.030 1 1558 195 145 LYS N N 123.103 0.057 1 1559 196 146 VAL H H 9.069 0.008 1 1560 196 146 VAL HA H 4.463 0.002 1 1561 196 146 VAL HB H 2.208 0.002 1 1562 196 146 VAL HG1 H 0.979 0.009 1 1563 196 146 VAL HG2 H 0.937 0.007 1 1564 196 146 VAL C C 178.716 0.000 1 1565 196 146 VAL CA C 63.280 0.006 1 1566 196 146 VAL CB C 32.058 0.000 1 1567 196 146 VAL CG1 C 24.146 0.025 1 1568 196 146 VAL CG2 C 22.288 0.023 1 1569 196 146 VAL N N 127.455 0.050 1 1570 197 147 ILE H H 8.640 0.007 1 1571 197 147 ILE HA H 4.559 0.008 1 1572 197 147 ILE HB H 2.086 0.003 1 1573 197 147 ILE HG12 H 0.744 0.002 2 1574 197 147 ILE HG13 H 1.166 0.005 2 1575 197 147 ILE HG2 H 0.892 0.006 1 1576 197 147 ILE HD1 H 0.724 0.003 1 1577 197 147 ILE C C 174.672 0.000 1 1578 197 147 ILE CA C 61.542 0.000 1 1579 197 147 ILE CB C 39.597 0.002 1 1580 197 147 ILE CG1 C 26.735 0.049 1 1581 197 147 ILE CG2 C 19.723 0.061 1 1582 197 147 ILE CD1 C 14.512 0.028 1 1583 197 147 ILE N N 122.707 0.041 1 1584 198 148 LYS H H 7.667 0.008 1 1585 198 148 LYS HA H 4.540 0.006 1 1586 198 148 LYS HB2 H 1.793 0.007 2 1587 198 148 LYS HB3 H 1.851 0.002 2 1588 198 148 LYS HG2 H 1.370 0.010 2 1589 198 148 LYS HG3 H 1.366 0.005 2 1590 198 148 LYS HD2 H 1.782 0.002 2 1591 198 148 LYS HD3 H 1.712 0.001 2 1592 198 148 LYS HE2 H 3.055 0.001 2 1593 198 148 LYS HE3 H 2.988 0.004 2 1594 198 148 LYS C C 171.766 0.000 1 1595 198 148 LYS CA C 54.808 0.012 1 1596 198 148 LYS CB C 35.295 0.022 1 1597 198 148 LYS CG C 23.524 0.030 1 1598 198 148 LYS CD C 29.833 0.000 1 1599 198 148 LYS CE C 42.314 0.012 1 1600 198 148 LYS N N 121.505 0.042 1 1601 199 149 ASP H H 8.183 0.007 1 1602 199 149 ASP HA H 4.624 0.018 1 1603 199 149 ASP HB2 H 2.510 0.011 2 1604 199 149 ASP HB3 H 2.588 0.002 2 1605 199 149 ASP C C 176.357 0.000 1 1606 199 149 ASP CA C 55.834 0.122 1 1607 199 149 ASP CB C 40.823 0.048 1 1608 199 149 ASP N N 118.530 0.035 1 1609 200 150 ILE H H 8.867 0.010 1 1610 200 150 ILE HA H 4.196 0.003 1 1611 200 150 ILE HB H 1.645 0.001 1 1612 200 150 ILE HG12 H 2.293 0.005 2 1613 200 150 ILE HG13 H 0.758 0.002 2 1614 200 150 ILE HG2 H 0.916 0.013 1 1615 200 150 ILE HD1 H 0.912 0.009 1 1616 200 150 ILE C C 175.554 0.000 1 1617 200 150 ILE CA C 61.457 0.000 1 1618 200 150 ILE CB C 41.101 0.000 1 1619 200 150 ILE CG1 C 27.015 0.033 1 1620 200 150 ILE CG2 C 17.810 0.066 1 1621 200 150 ILE CD1 C 14.735 0.026 1 1622 200 150 ILE N N 124.517 0.051 1 1623 201 151 GLU H H 8.614 0.009 1 1624 201 151 GLU HA H 4.531 0.003 1 1625 201 151 GLU HB2 H 2.083 0.002 2 1626 201 151 GLU HB3 H 1.542 0.003 2 1627 201 151 GLU HG2 H 2.241 0.007 2 1628 201 151 GLU HG3 H 2.355 0.006 2 1629 201 151 GLU C C 173.327 0.000 1 1630 201 151 GLU CA C 53.819 0.000 1 1631 201 151 GLU CB C 29.076 0.003 1 1632 201 151 GLU CG C 35.542 0.027 1 1633 201 151 GLU N N 126.092 0.043 1 1634 202 152 PRO HA H 3.721 0.013 1 1635 202 152 PRO HB2 H 1.749 0.011 2 1636 202 152 PRO HB3 H 1.792 0.011 2 1637 202 152 PRO HG2 H 1.642 0.004 2 1638 202 152 PRO HG3 H 2.147 0.006 2 1639 202 152 PRO HD2 H 3.309 0.012 2 1640 202 152 PRO HD3 H 3.838 0.007 2 1641 202 152 PRO C C 178.087 0.000 1 1642 202 152 PRO CA C 63.251 0.037 1 1643 202 152 PRO CB C 30.901 0.000 1 1644 202 152 PRO CG C 28.193 0.042 1 1645 202 152 PRO CD C 49.921 0.019 1 1646 203 153 GLY H H 8.901 0.008 1 1647 203 153 GLY HA2 H 3.817 0.012 2 1648 203 153 GLY HA3 H 4.363 0.008 2 1649 203 153 GLY C C 174.205 0.000 1 1650 203 153 GLY CA C 45.220 0.048 1 1651 203 153 GLY N N 110.177 0.057 1 1652 204 154 GLU H H 7.792 0.007 1 1653 204 154 GLU HA H 4.855 0.015 1 1654 204 154 GLU HB2 H 2.376 0.014 2 1655 204 154 GLU HB3 H 1.992 0.003 2 1656 204 154 GLU HG2 H 2.336 0.005 2 1657 204 154 GLU HG3 H 2.196 0.009 2 1658 204 154 GLU C C 174.655 0.000 1 1659 204 154 GLU CA C 55.747 0.100 1 1660 204 154 GLU CB C 31.856 0.041 1 1661 204 154 GLU CG C 37.958 0.028 1 1662 204 154 GLU N N 119.732 0.042 1 1663 205 155 GLU H H 7.828 0.018 1 1664 205 155 GLU HA H 3.550 0.019 1 1665 205 155 GLU HB2 H -0.571 0.012 2 1666 205 155 GLU HB3 H 0.844 0.004 2 1667 205 155 GLU HG2 H 1.008 0.010 2 1668 205 155 GLU HG3 H 1.787 0.003 2 1669 205 155 GLU C C 176.561 0.000 1 1670 205 155 GLU CA C 56.032 0.061 1 1671 205 155 GLU CB C 28.944 0.040 1 1672 205 155 GLU CG C 35.510 0.048 1 1673 205 155 GLU N N 124.742 0.067 1 1674 206 156 LEU H H 8.901 0.009 1 1675 206 156 LEU HA H 4.338 0.002 1 1676 206 156 LEU HB2 H 1.444 0.000 2 1677 206 156 LEU HB3 H 1.616 0.014 2 1678 206 156 LEU HD1 H 1.019 0.010 2 1679 206 156 LEU HD2 H 0.767 0.004 2 1680 206 156 LEU C C 174.607 0.000 1 1681 206 156 LEU CA C 56.335 0.012 1 1682 206 156 LEU CB C 41.774 0.010 1 1683 206 156 LEU CD1 C 25.198 0.029 2 1684 206 156 LEU CD2 C 26.158 0.000 2 1685 206 156 LEU N N 130.316 0.052 1 1686 207 157 LEU H H 9.386 0.011 1 1687 207 157 LEU HA H 5.718 0.008 1 1688 207 157 LEU HB2 H 1.498 0.009 2 1689 207 157 LEU HB3 H 1.321 0.011 2 1690 207 157 LEU HD1 H 0.805 0.009 2 1691 207 157 LEU HD2 H 0.660 0.004 2 1692 207 157 LEU CA C 53.666 0.025 1 1693 207 157 LEU CB C 48.044 0.066 1 1694 207 157 LEU CD1 C 26.032 0.029 2 1695 207 157 LEU CD2 C 28.467 0.035 2 1696 207 157 LEU N N 124.376 0.057 1 1697 208 158 VAL H H 8.586 0.003 1 1698 208 158 VAL HA H 4.922 0.010 1 1699 208 158 VAL HB H 1.608 0.003 1 1700 208 158 VAL HG1 H 0.765 0.002 2 1701 208 158 VAL HG2 H 0.669 0.011 2 1702 208 158 VAL C C 175.687 0.000 1 1703 208 158 VAL CA C 58.885 0.000 1 1704 208 158 VAL CB C 35.485 0.045 1 1705 208 158 VAL CG1 C 19.848 0.029 2 1706 208 158 VAL CG2 C 22.027 0.026 2 1707 208 158 VAL N N 122.377 0.017 1 1708 209 159 HIS H H 7.493 0.007 1 1709 209 159 HIS HA H 4.669 0.002 1 1710 209 159 HIS HB2 H 2.992 0.009 2 1711 209 159 HIS HB3 H 2.897 0.006 2 1712 209 159 HIS HD2 H 7.001 0.014 1 1713 209 159 HIS HE1 H 7.776 0.004 1 1714 209 159 HIS CA C 57.335 0.000 1 1715 209 159 HIS CB C 33.049 0.032 1 1716 209 159 HIS CD2 C 120.955 0.079 1 1717 209 159 HIS CE1 C 138.030 0.013 1 1718 209 159 HIS N N 121.738 0.048 1 1719 210 160 VAL H H 7.818 0.008 1 1720 210 160 VAL HA H 4.126 0.003 1 1721 210 160 VAL HB H 1.904 0.006 1 1722 210 160 VAL HG2 H 0.764 0.004 1 1723 210 160 VAL CA C 61.717 0.000 1 1724 210 160 VAL CB C 33.667 0.010 1 1725 210 160 VAL CG2 C 21.095 0.000 1 1726 210 160 VAL N N 122.649 0.054 1 1727 211 161 LYS H H 8.472 0.008 1 1728 211 161 LYS HA H 4.203 0.010 1 1729 211 161 LYS HB2 H 1.826 0.001 1 1730 211 161 LYS HB3 H 1.825 0.000 1 1731 211 161 LYS HG2 H 1.437 0.003 2 1732 211 161 LYS HG3 H 1.436 0.001 2 1733 211 161 LYS HD2 H 1.732 0.000 1 1734 211 161 LYS HD3 H 1.732 0.000 1 1735 211 161 LYS HE2 H 2.968 0.003 1 1736 211 161 LYS C C 176.271 0.000 1 1737 211 161 LYS CA C 56.847 0.000 1 1738 211 161 LYS CB C 33.181 0.003 1 1739 211 161 LYS CG C 24.961 0.003 1 1740 211 161 LYS N N 125.347 0.060 1 1741 212 162 GLU H H 8.540 0.009 1 1742 212 162 GLU HA H 4.219 0.013 1 1743 212 162 GLU HB2 H 2.000 0.008 2 1744 212 162 GLU HB3 H 2.011 0.000 2 1745 212 162 GLU HG2 H 2.260 0.011 2 1746 212 162 GLU HG3 H 2.265 0.012 2 1747 212 162 GLU C C 176.773 0.000 1 1748 212 162 GLU CA C 57.040 0.131 1 1749 212 162 GLU CB C 30.321 0.041 1 1750 212 162 GLU CG C 36.457 0.115 1 1751 212 162 GLU N N 122.227 0.058 1 1752 213 163 GLY H H 8.331 0.008 1 1753 213 163 GLY HA2 H 3.867 0.008 2 1754 213 163 GLY HA3 H 3.871 0.006 2 1755 213 163 GLY C C 173.396 0.000 1 1756 213 163 GLY CA C 45.483 0.019 1 1757 213 163 GLY N N 109.660 0.054 1 1758 214 164 VAL H H 7.622 0.008 1 1759 214 164 VAL HA H 4.034 0.007 1 1760 214 164 VAL HB H 1.885 0.007 1 1761 214 164 VAL HG1 H 0.738 0.004 1 1762 214 164 VAL C C 175.171 0.000 1 1763 214 164 VAL CA C 62.180 0.088 1 1764 214 164 VAL CB C 33.058 0.069 1 1765 214 164 VAL CG1 C 20.962 0.003 1 1766 214 164 VAL N N 118.747 0.046 1 1767 215 165 TYR H H 8.234 0.010 1 1768 215 165 TYR HA H 4.841 0.001 1 1769 215 165 TYR HB2 H 3.012 0.008 2 1770 215 165 TYR HB3 H 2.761 0.008 2 1771 215 165 TYR HD1 H 7.050 0.007 3 1772 215 165 TYR HD2 H 7.050 0.007 3 1773 215 165 TYR HE1 H 6.718 0.008 3 1774 215 165 TYR HE2 H 6.718 0.008 3 1775 215 165 TYR C C 174.143 0.000 1 1776 215 165 TYR CA C 55.538 0.000 1 1777 215 165 TYR CB C 38.556 0.025 1 1778 215 165 TYR CD1 C 133.026 0.000 3 1779 215 165 TYR CD2 C 133.026 0.000 3 1780 215 165 TYR CE1 C 117.953 0.023 3 1781 215 165 TYR CE2 C 117.953 0.023 3 1782 215 165 TYR N N 124.188 0.049 1 1783 216 166 PRO HA H 4.396 0.018 1 1784 216 166 PRO HB2 H 2.214 0.006 2 1785 216 166 PRO HB3 H 1.890 0.011 2 1786 216 166 PRO HG2 H 1.970 0.011 2 1787 216 166 PRO HG3 H 1.986 0.000 2 1788 216 166 PRO HD2 H 3.758 0.028 2 1789 216 166 PRO HD3 H 3.572 0.014 2 1790 216 166 PRO C C 176.313 0.000 1 1791 216 166 PRO CA C 63.337 0.078 1 1792 216 166 PRO CB C 32.156 0.105 1 1793 216 166 PRO CG C 27.617 0.100 1 1794 216 166 PRO CD C 50.804 0.013 1 1795 217 167 LEU H H 8.181 0.008 1 1796 217 167 LEU HA H 4.269 0.020 1 1797 217 167 LEU HB2 H 1.593 0.006 2 1798 217 167 LEU HB3 H 1.590 0.006 2 1799 217 167 LEU HG H 1.582 0.015 1 1800 217 167 LEU HD1 H 0.832 0.001 2 1801 217 167 LEU HD2 H 0.866 0.020 2 1802 217 167 LEU C C 177.870 0.000 1 1803 217 167 LEU CA C 55.794 0.101 1 1804 217 167 LEU CB C 42.285 0.001 1 1805 217 167 LEU CG C 27.616 0.100 1 1806 217 167 LEU CD1 C 24.959 0.132 2 1807 217 167 LEU CD2 C 23.666 0.000 2 1808 217 167 LEU N N 121.790 0.049 1 1809 218 168 GLY H H 8.430 0.003 1 1810 218 168 GLY HA2 H 3.974 0.008 2 1811 218 168 GLY HA3 H 3.984 0.000 2 1812 218 168 GLY C C 174.046 0.000 1 1813 218 168 GLY CA C 45.467 0.027 1 1814 218 168 GLY N N 109.749 0.021 1 1815 219 169 THR H H 7.926 0.008 1 1816 219 169 THR HA H 4.129 0.015 1 1817 219 169 THR HB H 4.110 0.007 1 1818 219 169 THR HG2 H 0.765 0.000 1 1819 219 169 THR C C 174.122 0.000 1 1820 219 169 THR CA C 61.997 0.129 1 1821 219 169 THR CB C 70.147 0.001 1 1822 219 169 THR CG2 C 21.568 0.000 1 1823 219 169 THR N N 113.890 0.045 1 1824 220 170 VAL H H 8.189 0.008 1 1825 220 170 VAL HA H 4.345 0.001 1 1826 220 170 VAL HB H 2.012 0.001 1 1827 220 170 VAL HG1 H 1.100 0.008 2 1828 220 170 VAL HG2 H 0.906 0.001 2 1829 220 170 VAL C C 173.976 0.000 1 1830 220 170 VAL CA C 59.847 0.040 1 1831 220 170 VAL CB C 32.863 0.000 1 1832 220 170 VAL CG2 C 20.895 0.000 1 1833 220 170 VAL N N 124.217 0.040 1 1834 221 171 PRO HA H 4.529 0.001 1 1835 221 171 PRO HB2 H 1.823 0.001 2 1836 221 171 PRO HB3 H 2.240 0.001 2 1837 221 171 PRO HD2 H 3.780 0.000 1 1838 221 171 PRO HD3 H 3.780 0.000 1 1839 221 171 PRO CA C 61.629 0.051 1 1840 221 171 PRO CB C 31.107 0.023 1 1841 221 171 PRO CG C 27.551 0.000 1 1842 221 171 PRO CD C 50.898 0.000 1 1843 222 172 PRO HA H 4.401 0.010 1 1844 222 172 PRO HB2 H 2.267 0.011 2 1845 222 172 PRO HB3 H 1.915 0.011 2 1846 222 172 PRO HG2 H 2.201 0.000 2 1847 222 172 PRO HG3 H 2.275 0.007 2 1848 222 172 PRO HD2 H 3.604 0.000 2 1849 222 172 PRO HD3 H 3.675 0.000 2 1850 222 172 PRO C C 177.499 0.000 1 1851 222 172 PRO CA C 63.236 0.085 1 1852 222 172 PRO CB C 32.283 0.109 1 1853 222 172 PRO CG C 27.463 0.042 1 1854 222 172 PRO CD C 50.475 0.000 1 1855 223 173 GLY H H 8.399 0.008 1 1856 223 173 GLY HA2 H 3.924 0.011 2 1857 223 173 GLY HA3 H 3.942 0.000 2 1858 223 173 GLY C C 174.135 0.000 1 1859 223 173 GLY CA C 45.372 0.027 1 1860 223 173 GLY N N 108.858 0.053 1 1861 224 174 LEU H H 8.077 0.008 1 1862 224 174 LEU HA H 4.355 0.008 1 1863 224 174 LEU HB2 H 1.605 0.008 2 1864 224 174 LEU HB3 H 1.594 0.000 2 1865 224 174 LEU HG H 1.585 0.010 1 1866 224 174 LEU HD1 H 0.848 0.001 2 1867 224 174 LEU HD2 H 0.865 0.018 2 1868 224 174 LEU C C 177.010 0.000 1 1869 224 174 LEU CA C 55.296 0.035 1 1870 224 174 LEU CB C 42.614 0.002 1 1871 224 174 LEU CG C 27.120 0.121 1 1872 224 174 LEU CD1 C 23.725 0.000 2 1873 224 174 LEU CD2 C 25.010 0.000 2 1874 224 174 LEU N N 121.511 0.047 1 1875 225 175 ASP H H 8.411 0.009 1 1876 225 175 ASP HA H 4.604 0.007 1 1877 225 175 ASP HB2 H 2.707 0.005 2 1878 225 175 ASP HB3 H 2.591 0.008 2 1879 225 175 ASP C C 175.072 0.000 1 1880 225 175 ASP CA C 54.462 0.077 1 1881 225 175 ASP CB C 41.353 0.088 1 1882 225 175 ASP N N 121.091 0.041 1 1883 226 176 GLU H H 7.744 0.008 1 1884 226 176 GLU HA H 4.105 0.001 1 1885 226 176 GLU HB2 H 1.862 0.001 2 1886 226 176 GLU HB3 H 2.023 0.002 2 1887 226 176 GLU HG2 H 2.158 0.001 2 1888 226 176 GLU HG3 H 2.159 0.000 2 1889 226 176 GLU C C 181.038 0.000 1 1890 226 176 GLU CA C 58.057 0.034 1 1891 226 176 GLU CB C 31.559 0.017 1 1892 226 176 GLU CG C 36.913 0.001 1 1893 226 176 GLU N N 125.520 0.046 1 stop_ save_