data_27159 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; LRT2 Cyclophilin of rice ; _BMRB_accession_number 27159 _BMRB_flat_file_name bmr27159.str _Entry_type original _Submission_date 2017-06-22 _Accession_date 2017-06-22 _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 Acevedo Lucila A. . 2 Nicholson Linda K. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 829 "13C chemical shifts" 638 "15N chemical shifts" 164 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-04-06 update BMRB 'update entry citation' 2018-02-02 original author 'original release' stop_ _Original_release_date 2017-06-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C and 15N NMR assignments of cyclophilin LRT2 (OsCYP2) from rice ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29353448 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Acevedo Lucila A. . 2 Nicholson Linda K. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 12 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 171 _Page_last 174 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'LRT2 monomer' _Enzyme_commission_number 5.2.1.8 loop_ _Mol_system_component_name _Mol_label LRT2 $LRT2 stop_ _System_molecular_weight 18686.36 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details monomer save_ ######################## # Monomeric polymers # ######################## save_LRT2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common LRT2 _Molecular_mass 18686.36 _Mol_thiol_state unknown loop_ _Biological_function 'Peptidyl Prolyl Isomerase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 175 _Mol_residue_sequence ; GHMMSNTRVFFDMTVGGAPA GRIVMELYAKDVPRTAENFR ALCTGEKGVGKSGKPLHYKG STFHRVIPEFMCQGGDFTRG NGTGGESIYGEKFADEVFKF KHDSPGILSMANAGPNTNGS QFFICTVPCSWLDGKHVVFG RVVEGMDVVKAIEKVGSRGG STAKPVVIADCGQLS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 HIS 3 0 MET 4 1 MET 5 2 SER 6 3 ASN 7 4 THR 8 5 ARG 9 6 VAL 10 7 PHE 11 8 PHE 12 9 ASP 13 10 MET 14 11 THR 15 12 VAL 16 13 GLY 17 14 GLY 18 15 ALA 19 16 PRO 20 17 ALA 21 18 GLY 22 19 ARG 23 20 ILE 24 21 VAL 25 22 MET 26 23 GLU 27 24 LEU 28 25 TYR 29 26 ALA 30 27 LYS 31 28 ASP 32 29 VAL 33 30 PRO 34 31 ARG 35 32 THR 36 33 ALA 37 34 GLU 38 35 ASN 39 36 PHE 40 37 ARG 41 38 ALA 42 39 LEU 43 40 CYS 44 41 THR 45 42 GLY 46 43 GLU 47 44 LYS 48 45 GLY 49 46 VAL 50 47 GLY 51 48 LYS 52 49 SER 53 50 GLY 54 51 LYS 55 52 PRO 56 53 LEU 57 54 HIS 58 55 TYR 59 56 LYS 60 57 GLY 61 58 SER 62 59 THR 63 60 PHE 64 61 HIS 65 62 ARG 66 63 VAL 67 64 ILE 68 65 PRO 69 66 GLU 70 67 PHE 71 68 MET 72 69 CYS 73 70 GLN 74 71 GLY 75 72 GLY 76 73 ASP 77 74 PHE 78 75 THR 79 76 ARG 80 77 GLY 81 78 ASN 82 79 GLY 83 80 THR 84 81 GLY 85 82 GLY 86 83 GLU 87 84 SER 88 85 ILE 89 86 TYR 90 87 GLY 91 88 GLU 92 89 LYS 93 90 PHE 94 91 ALA 95 92 ASP 96 93 GLU 97 94 VAL 98 95 PHE 99 96 LYS 100 97 PHE 101 98 LYS 102 99 HIS 103 100 ASP 104 101 SER 105 102 PRO 106 103 GLY 107 104 ILE 108 105 LEU 109 106 SER 110 107 MET 111 108 ALA 112 109 ASN 113 110 ALA 114 111 GLY 115 112 PRO 116 113 ASN 117 114 THR 118 115 ASN 119 116 GLY 120 117 SER 121 118 GLN 122 119 PHE 123 120 PHE 124 121 ILE 125 122 CYS 126 123 THR 127 124 VAL 128 125 PRO 129 126 CYS 130 127 SER 131 128 TRP 132 129 LEU 133 130 ASP 134 131 GLY 135 132 LYS 136 133 HIS 137 134 VAL 138 135 VAL 139 136 PHE 140 137 GLY 141 138 ARG 142 139 VAL 143 140 VAL 144 141 GLU 145 142 GLY 146 143 MET 147 144 ASP 148 145 VAL 149 146 VAL 150 147 LYS 151 148 ALA 152 149 ILE 153 150 GLU 154 151 LYS 155 152 VAL 156 153 GLY 157 154 SER 158 155 ARG 159 156 GLY 160 157 GLY 161 158 SER 162 159 THR 163 160 ALA 164 161 LYS 165 162 PRO 166 163 VAL 167 164 VAL 168 165 ILE 169 166 ALA 170 167 ASP 171 168 CYS 172 169 GLY 173 170 GLN 174 171 LEU 175 172 SER 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 NCBI BAS76709 Os02g0121300 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic _Details $LRT2 rice 4530 Eukaryota Viridiplantae Oryza sativa Japonica Os02g0121300 'gene sequence corresponds to LOC_Os02g02890.1 in MSU rice genome annotation project release 7' 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 $LRT2 'recombinant technology' . Escherichia coli BL21 Pet28 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 $LRT2 1.16 mM '[U-99% 13C; U-99% 15N]' 'potassium chloride' 50 mM 'natural abundance' 'potassium phosphate' 20 mM 'natural abundance' TCEP 1 mM 'natural abundance' 'sodium azide' 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_PINE _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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' 94.76 . mM pH 6.7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D H(CCO)NH' '3D HCCH-TOCSY' 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 LRT2 _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 4 4 MET H H 8.576 0.006 1 2 4 4 MET HA H 4.555 0.002 1 3 4 4 MET HB2 H 2.085 0.002 1 4 4 4 MET HB3 H 2.054 0.002 1 5 4 4 MET HG2 H 2.541 0.002 1 6 4 4 MET HG3 H 2.602 0.002 1 7 4 4 MET C C 175.816 0.002 1 8 4 4 MET CA C 55.629 0.096 1 9 4 4 MET CB C 33.126 0.002 1 10 4 4 MET CG C 32.147 0.002 1 11 4 4 MET N N 122.277 0.035 1 12 5 5 SER H H 8.216 0.002 1 13 5 5 SER HA H 4.563 0.005 1 14 5 5 SER HB2 H 3.903 0.003 1 15 5 5 SER HB3 H 3.686 0.012 1 16 5 5 SER C C 173.723 0.002 1 17 5 5 SER CA C 58.06 0.077 1 18 5 5 SER CB C 64.511 0.096 1 19 5 5 SER N N 116.492 0.023 1 20 6 6 ASN H H 8.453 0.002 1 21 6 6 ASN HA H 5.053 0.004 1 22 6 6 ASN HB2 H 2.812 0.001 1 23 6 6 ASN HB3 H 3.258 0.002 1 24 6 6 ASN C C 175.501 0.002 1 25 6 6 ASN CA C 53.551 0.162 1 26 6 6 ASN CB C 38.905 0.025 1 27 6 6 ASN N N 120.804 0.026 1 28 7 7 THR H H 8.048 0.003 1 29 7 7 THR HA H 4.573 0.007 1 30 7 7 THR HB H 4.18 0.004 1 31 7 7 THR HG2 H 1.246 0.022 1 32 7 7 THR C C 173.647 0.002 1 33 7 7 THR CA C 61.499 0.114 1 34 7 7 THR CB C 70.801 0.07 1 35 7 7 THR CG2 C 22.575 0.005 1 36 7 7 THR N N 115.222 0.024 1 37 8 8 ARG H H 8.915 0.002 1 38 8 8 ARG HA H 5.805 0.002 1 39 8 8 ARG HB2 H 1.932 0.002 1 40 8 8 ARG HB3 H 1.588 0.002 1 41 8 8 ARG HG2 H 1.714 0.012 1 42 8 8 ARG HG3 H 1.507 0.012 1 43 8 8 ARG HD2 H 3.119 0.002 1 44 8 8 ARG HD3 H 3.302 0.002 1 45 8 8 ARG C C 176.045 0.002 1 46 8 8 ARG CA C 55.011 0.112 1 47 8 8 ARG CB C 34.7 0.029 1 48 8 8 ARG CG C 28.554 0.091 1 49 8 8 ARG CD C 43.755 0.15 1 50 8 8 ARG N N 122.187 0.051 1 51 9 9 VAL H H 9.092 0.003 1 52 9 9 VAL HA H 5.319 0.006 1 53 9 9 VAL HB H 2.67 0.012 1 54 9 9 VAL HG1 H 0.965 0.017 1 55 9 9 VAL HG2 H 0.944 0.002 1 56 9 9 VAL C C 173.355 0.002 1 57 9 9 VAL CA C 58.681 0.061 1 58 9 9 VAL CB C 36.228 0.122 1 59 9 9 VAL CG1 C 22.021 0.077 1 60 9 9 VAL CG2 C 19.123 0.109 1 61 9 9 VAL N N 115.204 0.027 1 62 10 10 PHE H H 8.619 0.003 1 63 10 10 PHE HA H 6.079 0.006 1 64 10 10 PHE HB2 H 2.877 0.002 1 65 10 10 PHE HB3 H 2.671 0.011 1 66 10 10 PHE C C 172.714 0.002 1 67 10 10 PHE CA C 55.61 0.106 1 68 10 10 PHE CB C 43.958 0.161 1 69 10 10 PHE N N 115.882 0.04 1 70 11 11 PHE H H 8.97 0.003 1 71 11 11 PHE HA H 5.379 0.005 1 72 11 11 PHE HB2 H 3.513 0.002 1 73 11 11 PHE HB3 H 3.133 0 1 74 11 11 PHE C C 175.599 0 1 75 11 11 PHE CA C 53.143 0.158 1 76 11 11 PHE CB C 43.973 0.046 1 77 11 11 PHE N N 115.761 0.035 1 78 12 12 ASP H H 9.276 0.005 1 79 12 12 ASP HA H 5.508 0.012 1 80 12 12 ASP HB2 H 2.513 0 1 81 12 12 ASP HB3 H 2.728 0.013 1 82 12 12 ASP C C 175.25 0.128 1 83 12 12 ASP CA C 54.942 0.155 1 84 12 12 ASP CB C 42.048 0.084 1 85 12 12 ASP N N 124.719 0.057 1 86 13 13 MET H H 8.649 0.003 1 87 13 13 MET HA H 5.751 0.003 1 88 13 13 MET HB2 H 2.579 0 1 89 13 13 MET HB3 H 2.539 0 1 90 13 13 MET HG2 H 2.52 0 1 91 13 13 MET HG3 H 2.031 0.007 1 92 13 13 MET C C 179.108 0 1 93 13 13 MET CA C 52.195 0.195 1 94 13 13 MET CB C 31.291 0.037 1 95 13 13 MET CG C 30.284 0.106 1 96 13 13 MET N N 118.478 0.06 1 97 14 14 THR H H 9.666 0.004 1 98 14 14 THR HA H 5.068 0.004 1 99 14 14 THR HB H 3.676 0.002 1 100 14 14 THR HG2 H 1.261 0 1 101 14 14 THR C C 173.663 0 1 102 14 14 THR CA C 60.075 0.083 1 103 14 14 THR CB C 71.786 0.202 1 104 14 14 THR CG2 C 20.926 0.233 1 105 14 14 THR N N 114.412 0.041 1 106 15 15 VAL H H 8.653 0.004 1 107 15 15 VAL HA H 4.805 0 1 108 15 15 VAL HB H 2.031 0.004 1 109 15 15 VAL HG1 H 0.788 0 1 110 15 15 VAL HG2 H 0.84 0 1 111 15 15 VAL C C 178.08 0 1 112 15 15 VAL CA C 61.347 0.077 1 113 15 15 VAL CB C 34.269 0.069 1 114 15 15 VAL CG1 C 21.246 0 1 115 15 15 VAL CG2 C 22.081 0 1 116 15 15 VAL N N 120.757 0.024 1 117 16 16 GLY H H 9.498 0.004 1 118 16 16 GLY HA2 H 3.958 0.005 1 119 16 16 GLY HA3 H 3.946 0 1 120 16 16 GLY C C 174.524 0 1 121 16 16 GLY CA C 47.693 0.074 1 122 16 16 GLY N N 117.507 0.052 1 123 17 17 GLY H H 8.972 0.004 1 124 17 17 GLY HA2 H 3.465 0 1 125 17 17 GLY HA3 H 4.34 0 1 126 17 17 GLY C C 172.291 0 1 127 17 17 GLY CA C 44.74 0.017 1 128 17 17 GLY N N 104.759 0.017 1 129 18 18 ALA H H 7.49 0.001 1 130 18 18 ALA HA H 4.99 0.002 1 131 18 18 ALA HB H 1.448 0 1 132 18 18 ALA CA C 48.974 0.068 1 133 18 18 ALA CB C 19.361 0 1 134 18 18 ALA N N 124.443 0.026 1 135 19 19 PRO HA H 4.398 0.008 1 136 19 19 PRO HB2 H 2.382 0 1 137 19 19 PRO HB3 H 1.995 0.019 1 138 19 19 PRO HG2 H 2.208 0.002 1 139 19 19 PRO HG3 H 2.041 0 1 140 19 19 PRO HD2 H 3.947 0 1 141 19 19 PRO HD3 H 3.696 0.028 1 142 19 19 PRO C C 176.835 0 1 143 19 19 PRO CA C 64.179 0.18 1 144 19 19 PRO CB C 32.05 0.142 1 145 19 19 PRO CG C 27.792 0.091 1 146 19 19 PRO CD C 50.975 0 1 147 20 20 ALA H H 8.835 0.004 1 148 20 20 ALA HA H 4.692 0.019 1 149 20 20 ALA HB H 1.25 0 1 150 20 20 ALA C C 175.89 0 1 151 20 20 ALA CA C 51.273 0.07 1 152 20 20 ALA CB C 20.912 0 1 153 20 20 ALA N N 126.486 0.035 1 154 21 21 GLY H H 7.604 0.002 1 155 21 21 GLY HA2 H 4.674 0 1 156 21 21 GLY HA3 H 3.776 0 1 157 21 21 GLY C C 171.315 0 1 158 21 21 GLY CA C 44.089 0.051 1 159 21 21 GLY N N 105.63 0.041 1 160 22 22 ARG H H 8.183 0.003 1 161 22 22 ARG HA H 5.654 0.008 1 162 22 22 ARG HB2 H 2.034 0 1 163 22 22 ARG HB3 H 1.664 0 1 164 22 22 ARG HG2 H 1.65 0 1 165 22 22 ARG HG3 H 1.421 0 1 166 22 22 ARG HD2 H 2.743 0 1 167 22 22 ARG HD3 H 2.817 0 1 168 22 22 ARG C C 175.602 0 1 169 22 22 ARG CA C 54.705 0.158 1 170 22 22 ARG CB C 34.17 0.091 1 171 22 22 ARG CG C 27.462 0.132 1 172 22 22 ARG CD C 41.573 0.018 1 173 22 22 ARG N N 119.737 0.034 1 174 23 23 ILE H H 9.477 0.002 1 175 23 23 ILE HA H 4.626 0.006 1 176 23 23 ILE HB H 1.805 0.001 1 177 23 23 ILE HG12 H 1.552 0 1 178 23 23 ILE HG13 H 1.378 0 1 179 23 23 ILE HG2 H 0.984 0 1 180 23 23 ILE HD1 H 0.998 0 1 181 23 23 ILE C C 175.543 0.164 1 182 23 23 ILE CA C 60.684 0.062 1 183 23 23 ILE CB C 41.484 0.13 1 184 23 23 ILE CG1 C 26.251 0.014 1 185 23 23 ILE CG2 C 18.657 0 1 186 23 23 ILE CD1 C 14.56 0 1 187 23 23 ILE N N 126.087 0.066 1 188 24 24 VAL H H 8.962 0.009 1 189 24 24 VAL HA H 4.909 0.015 1 190 24 24 VAL HB H 1.906 0.014 1 191 24 24 VAL HG1 H 0.917 0.006 1 192 24 24 VAL HG2 H 0.794 0 1 193 24 24 VAL C C 175.974 0 1 194 24 24 VAL CA C 61.696 0.068 1 195 24 24 VAL CB C 33.365 0.184 1 196 24 24 VAL CG1 C 21.235 0.026 1 197 24 24 VAL N N 126.898 0.032 1 198 25 25 MET H H 9.393 0.004 1 199 25 25 MET HA H 4.951 0.001 1 200 25 25 MET HB2 H 1.508 0 1 201 25 25 MET HB3 H 1.322 0 1 202 25 25 MET HG2 H 2.046 0.027 1 203 25 25 MET HG3 H 1.823 0 1 204 25 25 MET C C 175.591 0 1 205 25 25 MET CA C 54.277 0.12 1 206 25 25 MET CB C 36.924 0.044 1 207 25 25 MET CG C 32.255 0.24 1 208 25 25 MET N N 127.559 0.049 1 209 26 26 GLU H H 8.913 0.006 1 210 26 26 GLU HA H 5.228 0.01 1 211 26 26 GLU HB2 H 2.033 0 1 212 26 26 GLU HB3 H 1.871 0 1 213 26 26 GLU HG2 H 2.155 0 1 214 26 26 GLU HG3 H 2.194 0 1 215 26 26 GLU C C 174.209 0 1 216 26 26 GLU CA C 54.105 0.146 1 217 26 26 GLU CB C 32.889 0.113 1 218 26 26 GLU CG C 37.332 0 1 219 26 26 GLU N N 122.865 0.092 1 220 27 27 LEU H H 8.795 0.005 1 221 27 27 LEU HA H 4.792 0.006 1 222 27 27 LEU HB2 H 2.173 0.003 1 223 27 27 LEU HB3 H 1.189 0.011 1 224 27 27 LEU HG H 1.624 0.01 1 225 27 27 LEU HD1 H 0.503 0.004 1 226 27 27 LEU HD2 H 0.592 0 1 227 27 27 LEU C C 178.617 0 1 228 27 27 LEU CA C 52.165 0.182 1 229 27 27 LEU CB C 43.429 0.044 1 230 27 27 LEU CG C 27.041 0.055 1 231 27 27 LEU CD1 C 22.733 0.035 1 232 27 27 LEU CD2 C 22.031 0 1 233 27 27 LEU N N 121.241 0.042 1 234 28 28 TYR H H 8.773 0.004 1 235 28 28 TYR HA H 5.088 0.006 1 236 28 28 TYR HB2 H 2.722 0.009 1 237 28 28 TYR HB3 H 3.338 0.006 1 238 28 28 TYR C C 176.603 0 1 239 28 28 TYR CA C 53.545 0.133 1 240 28 28 TYR CB C 34.27 0.082 1 241 28 28 TYR N N 125.611 0.044 1 242 29 29 ALA H H 8.146 0.002 1 243 29 29 ALA HA H 3.845 0 1 244 29 29 ALA HB H 1.584 0.009 1 245 29 29 ALA C C 177.938 0 1 246 29 29 ALA CA C 54.71 0.137 1 247 29 29 ALA CB C 19.298 0.147 1 248 29 29 ALA N N 124.296 0.052 1 249 30 30 LYS H H 8.235 0.004 1 250 30 30 LYS HA H 4.293 0.004 1 251 30 30 LYS HB2 H 1.861 0 1 252 30 30 LYS HB3 H 1.656 0 1 253 30 30 LYS HG2 H 1.441 0.003 1 254 30 30 LYS HG3 H 1.416 0 1 255 30 30 LYS HD2 H 1.696 0.019 1 256 30 30 LYS HD3 H 1.718 0 1 257 30 30 LYS HE2 H 3.036 0 1 258 30 30 LYS HE3 H 3.031 0.01 1 259 30 30 LYS C C 177.525 0.126 1 260 30 30 LYS CA C 57.867 0.28 1 261 30 30 LYS CB C 32.675 0.027 1 262 30 30 LYS CG C 24.686 0.006 1 263 30 30 LYS CD C 29.109 0.067 1 264 30 30 LYS CE C 42.059 0.084 1 265 30 30 LYS N N 114.11 0.047 1 266 31 31 ASP H H 7.625 0.003 1 267 31 31 ASP HA H 4.79 0.018 1 268 31 31 ASP HB2 H 2.739 0.002 1 269 31 31 ASP HB3 H 2.697 0 1 270 31 31 ASP C C 176.031 0 1 271 31 31 ASP CA C 56.68 0.116 1 272 31 31 ASP CB C 45.449 0.02 1 273 31 31 ASP N N 116.281 0.061 1 274 32 32 VAL H H 8.118 0.004 1 275 32 32 VAL HA H 4.514 0.024 1 276 32 32 VAL HB H 2.657 0.007 1 277 32 32 VAL HG1 H 1.22 0.007 1 278 32 32 VAL HG2 H 1.48 0.006 1 279 32 32 VAL CA C 58.802 0.109 1 280 32 32 VAL CB C 31.618 0.038 1 281 32 32 VAL CG1 C 24.584 0 1 282 32 32 VAL CG2 C 20.567 0 1 283 32 32 VAL N N 115.911 0.051 1 284 33 33 PRO HA H 4.443 0.002 1 285 33 33 PRO HB2 H 2.506 0 1 286 33 33 PRO HG2 H 2.156 0 1 287 33 33 PRO HD2 H 3.631 0.012 1 288 33 33 PRO C C 181.479 0 1 289 33 33 PRO CA C 66.539 0.138 1 290 33 33 PRO CB C 32.226 0 1 291 33 33 PRO CG C 27.71 0 1 292 33 33 PRO CD C 50.236 0 1 293 34 34 ARG H H 11.121 0.002 1 294 34 34 ARG HA H 4.073 0.007 1 295 34 34 ARG HB2 H 1.665 0 1 296 34 34 ARG HB3 H 1.444 0 1 297 34 34 ARG HG2 H 1.479 0.003 1 298 34 34 ARG HG3 H 1.419 0 1 299 34 34 ARG HD2 H 3.029 0 1 300 34 34 ARG HD3 H 3.122 0.002 1 301 34 34 ARG C C 181.864 0 1 302 34 34 ARG CA C 60.152 0.047 1 303 34 34 ARG CB C 29.395 0.082 1 304 34 34 ARG CG C 28.271 0.064 1 305 34 34 ARG CD C 43.285 0 1 306 34 34 ARG N N 123.065 0.068 1 307 35 35 THR H H 10.341 0.005 1 308 35 35 THR HA H 4.063 0.008 1 309 35 35 THR HB H 4.216 0.004 1 310 35 35 THR HG2 H 0.91 0 1 311 35 35 THR C C 177.7 0 1 312 35 35 THR CA C 67.072 0.136 1 313 35 35 THR CB C 68.577 0.122 1 314 35 35 THR CG2 C 22.787 0 1 315 35 35 THR N N 123.883 0.04 1 316 36 36 ALA H H 9.115 0.003 1 317 36 36 ALA HA H 4.126 0.003 1 318 36 36 ALA HB H 1.578 0 1 319 36 36 ALA C C 179.222 0 1 320 36 36 ALA CA C 55.963 0.095 1 321 36 36 ALA CB C 18.725 0.056 1 322 36 36 ALA N N 125.632 0.037 1 323 37 37 GLU H H 8.281 0.004 1 324 37 37 GLU HA H 4.607 0.005 1 325 37 37 GLU HB2 H 2.059 0 1 326 37 37 GLU HB3 H 1.847 0 1 327 37 37 GLU HG2 H 2.063 0 1 328 37 37 GLU HG3 H 2.539 0 1 329 37 37 GLU C C 177.092 0 1 330 37 37 GLU CA C 58.143 0.081 1 331 37 37 GLU CB C 28.323 0.141 1 332 37 37 GLU CG C 33.886 0.054 1 333 37 37 GLU N N 119.29 0.063 1 334 38 38 ASN H H 7.31 0.004 1 335 38 38 ASN HA H 4.038 0 1 336 38 38 ASN HB2 H 2.383 0.005 1 337 38 38 ASN HB3 H 2.891 0.003 1 338 38 38 ASN C C 174.516 0 1 339 38 38 ASN CA C 56.817 0.075 1 340 38 38 ASN CB C 39.765 0.038 1 341 38 38 ASN N N 116.313 0.027 1 342 39 39 PHE H H 7.152 0.003 1 343 39 39 PHE HA H 4.14 0 1 344 39 39 PHE HB2 H 3.069 0.019 1 345 39 39 PHE HB3 H 2.998 0 1 346 39 39 PHE C C 177.766 0 1 347 39 39 PHE CA C 62.12 0.067 1 348 39 39 PHE CB C 40.29 0.078 1 349 39 39 PHE N N 117.077 0.016 1 350 40 40 ARG H H 8.485 0.003 1 351 40 40 ARG HA H 3.703 0.02 1 352 40 40 ARG HB2 H 1.925 0.007 1 353 40 40 ARG HB3 H 1.937 0 1 354 40 40 ARG HG2 H 1.49 0 1 355 40 40 ARG HG3 H 1.277 0 1 356 40 40 ARG HD2 H 3.254 0.001 1 357 40 40 ARG HD3 H 3.258 0 1 358 40 40 ARG C C 178.545 0 1 359 40 40 ARG CA C 60.572 0.226 1 360 40 40 ARG CB C 30.523 0.084 1 361 40 40 ARG CG C 27.109 0.047 1 362 40 40 ARG CD C 43.171 0.023 1 363 40 40 ARG N N 118.434 0.031 1 364 41 41 ALA H H 8.607 0.005 1 365 41 41 ALA HA H 3.849 0.017 1 366 41 41 ALA HB H 1.314 0.008 1 367 41 41 ALA C C 181.745 0 1 368 41 41 ALA CA C 54.474 0.153 1 369 41 41 ALA CB C 18.416 0.055 1 370 41 41 ALA N N 118.693 0.072 1 371 42 42 LEU H H 8.019 0.004 1 372 42 42 LEU HA H 3.876 0.013 1 373 42 42 LEU HB2 H 1.482 0.006 1 374 42 42 LEU HB3 H -0.33 0.013 1 375 42 42 LEU HG H 0.882 0.004 1 376 42 42 LEU HD1 H 0.345 0.002 1 377 42 42 LEU HD2 H 0.776 0.004 1 378 42 42 LEU C C 179.085 0 1 379 42 42 LEU CA C 56.863 0.154 1 380 42 42 LEU CB C 40.992 0.124 1 381 42 42 LEU CG C 26.473 0.055 1 382 42 42 LEU CD1 C 23.356 0.073 1 383 42 42 LEU CD2 C 23.321 0.053 1 384 42 42 LEU N N 122.254 0.11 1 385 43 43 CYS H H 7.866 0.003 1 386 43 43 CYS HA H 4.723 0 1 387 43 43 CYS HB2 H 3.532 0.003 1 388 43 43 CYS HB3 H 2.298 0 1 389 43 43 CYS C C 176.982 0 1 390 43 43 CYS CA C 63.833 0.031 1 391 43 43 CYS CB C 27.084 0.031 1 392 43 43 CYS N N 118.933 0.039 1 393 44 44 THR H H 7.839 0.003 1 394 44 44 THR HA H 4.48 0.01 1 395 44 44 THR HB H 4.497 0 1 396 44 44 THR HG2 H 1.345 0.002 1 397 44 44 THR C C 177.597 0 1 398 44 44 THR CA C 62.691 0.041 1 399 44 44 THR CB C 69.529 0.116 1 400 44 44 THR CG2 C 22.133 0.012 1 401 44 44 THR N N 107.788 0.067 1 402 45 45 GLY H H 8.03 0.003 1 403 45 45 GLY HA2 H 3.832 0.006 1 404 45 45 GLY HA3 H 2.653 0.001 1 405 45 45 GLY C C 177.426 0 1 406 45 45 GLY CA C 45 0.128 1 407 45 45 GLY N N 110.773 0.059 1 408 46 46 GLU H H 7.909 0.002 1 409 46 46 GLU HA H 4.134 0.008 1 410 46 46 GLU HB2 H 1.832 0 1 411 46 46 GLU HG2 H 2.047 0 1 412 46 46 GLU HG3 H 1.814 0.003 1 413 46 46 GLU C C 176.38 0 1 414 46 46 GLU CA C 58.027 0.072 1 415 46 46 GLU CB C 30.472 0 1 416 46 46 GLU CG C 35.433 0.169 1 417 46 46 GLU N N 116.823 0.055 1 418 47 47 LYS H H 9.303 0.004 1 419 47 47 LYS HA H 4.297 0.005 1 420 47 47 LYS HB2 H 1.896 0 1 421 47 47 LYS HB3 H 1.875 0.006 1 422 47 47 LYS HG2 H 1.216 0 1 423 47 47 LYS HG3 H 1.585 0.004 1 424 47 47 LYS HD2 H 1.636 0.004 1 425 47 47 LYS HD3 H 1.563 0 1 426 47 47 LYS HE2 H 3.023 0.001 1 427 47 47 LYS HE3 H 3.085 0 1 428 47 47 LYS C C 176.933 0 1 429 47 47 LYS CA C 54.561 0.158 1 430 47 47 LYS CB C 30.611 0.088 1 431 47 47 LYS CG C 25.395 0.276 1 432 47 47 LYS CD C 27.226 0.125 1 433 47 47 LYS CE C 42.178 0 1 434 47 47 LYS N N 119.464 0.061 1 435 48 48 GLY H H 7.355 0.004 1 436 48 48 GLY HA2 H 4.123 0.003 1 437 48 48 GLY HA3 H 3.638 0 1 438 48 48 GLY C C 173.193 0 1 439 48 48 GLY CA C 45.684 0.072 1 440 48 48 GLY N N 106.026 0.052 1 441 49 49 VAL H H 8.542 0.001 1 442 49 49 VAL HA H 3.99 0.006 1 443 49 49 VAL HB H 1.82 0.001 1 444 49 49 VAL HG1 H 0.842 0.001 1 445 49 49 VAL C C 176.427 0.133 1 446 49 49 VAL CA C 62.545 0.048 1 447 49 49 VAL CB C 33.114 0.053 1 448 49 49 VAL CG1 C 21.126 0 1 449 49 49 VAL N N 124.085 0.031 1 450 50 50 GLY H H 8.203 0.003 1 451 50 50 GLY HA2 H 4.432 0 1 452 50 50 GLY HA3 H 3.945 0 1 453 50 50 GLY C C 176.188 0 1 454 50 50 GLY CA C 44.348 0.025 1 455 50 50 GLY N N 112.838 0.044 1 456 51 51 LYS H H 10.625 0.004 1 457 51 51 LYS HA H 4.084 0.005 1 458 51 51 LYS HB2 H 1.918 0 1 459 51 51 LYS HB3 H 1.906 0 1 460 51 51 LYS HG2 H 1.594 0 1 461 51 51 LYS HG3 H 1.6 0 1 462 51 51 LYS HD2 H 1.748 0 1 463 51 51 LYS HD3 H 1.716 0 1 464 51 51 LYS HE2 H 3.075 0 1 465 51 51 LYS HE3 H 3.076 0 1 466 51 51 LYS C C 179.56 0 1 467 51 51 LYS CA C 58.886 0.07 1 468 51 51 LYS CB C 31.945 0.021 1 469 51 51 LYS CG C 25.215 0.059 1 470 51 51 LYS CD C 28.842 0.047 1 471 51 51 LYS CE C 42.559 0 1 472 51 51 LYS N N 125.733 0.024 1 473 52 52 SER H H 9.304 0.003 1 474 52 52 SER HA H 4.298 0.005 1 475 52 52 SER HB2 H 4.045 0.004 1 476 52 52 SER HB3 H 4.143 0 1 477 52 52 SER C C 175.699 0 1 478 52 52 SER CA C 59.539 0.107 1 479 52 52 SER CB C 64.049 0.067 1 480 52 52 SER N N 113.731 0.062 1 481 53 53 GLY H H 7.917 0.004 1 482 53 53 GLY HA2 H 4.333 0 1 483 53 53 GLY HA3 H 3.538 0 1 484 53 53 GLY C C 173.346 0 1 485 53 53 GLY CA C 45.266 0.095 1 486 53 53 GLY N N 108.824 0.048 1 487 54 54 LYS H H 7.736 0.004 1 488 54 54 LYS HA H 4.938 0.006 1 489 54 54 LYS HB2 H 2.017 0 1 490 54 54 LYS HB3 H 1.812 0 1 491 54 54 LYS HG2 H 1.558 0 1 492 54 54 LYS HG3 H 1.767 0 1 493 54 54 LYS HD2 H 2.206 0 1 494 54 54 LYS HD3 H 1.829 0 1 495 54 54 LYS HE2 H 3.023 0 1 496 54 54 LYS HE3 H 2.856 0 1 497 54 54 LYS CA C 52.243 0.234 1 498 54 54 LYS CB C 32.303 0.058 1 499 54 54 LYS CG C 25.048 0 1 500 54 54 LYS CD C 28.028 0.351 1 501 54 54 LYS CE C 43.803 0.035 1 502 54 54 LYS N N 119.449 0.039 1 503 55 55 PRO HA H 4.186 0 1 504 55 55 PRO HB2 H 2.341 0 1 505 55 55 PRO HG2 H 1.93 0 1 506 55 55 PRO C C 176.369 0 1 507 55 55 PRO CA C 63.56 0.03 1 508 55 55 PRO CB C 32.403 0.017 1 509 55 55 PRO CG C 28.096 0 1 510 55 55 PRO CD C 50.737 0 1 511 56 56 LEU H H 8.504 0.002 1 512 56 56 LEU HA H 3.737 0.005 1 513 56 56 LEU HB2 H 1.406 0 1 514 56 56 LEU HB3 H 0.92 0 1 515 56 56 LEU HG H 0.575 0 1 516 56 56 LEU HD1 H 0.781 0 1 517 56 56 LEU C C 174.326 0 1 518 56 56 LEU CA C 52.75 0.158 1 519 56 56 LEU CB C 39.192 0.104 1 520 56 56 LEU CG C 26.572 0.112 1 521 56 56 LEU CD1 C 23.693 0.031 1 522 56 56 LEU N N 124.797 0.055 1 523 57 57 HIS H H 6.661 0.001 1 524 57 57 HIS HA H 5.22 0.007 1 525 57 57 HIS HB2 H 2.896 0 1 526 57 57 HIS HB3 H 2.559 0 1 527 57 57 HIS C C 175.602 0 1 528 57 57 HIS CA C 51.711 0.156 1 529 57 57 HIS CB C 36.299 0.002 1 530 57 57 HIS N N 122.97 0.052 1 531 58 58 TYR H H 8.538 0.003 1 532 58 58 TYR HB2 H 2.986 0 1 533 58 58 TYR HB3 H 2.886 0 1 534 58 58 TYR C C 176.763 0 1 535 58 58 TYR CA C 57.303 0.114 1 536 58 58 TYR CB C 38.346 0.063 1 537 58 58 TYR N N 121.512 0.079 1 538 59 59 LYS H H 5.884 0.002 1 539 59 59 LYS HA H 3.317 0.006 1 540 59 59 LYS HB2 H 0.683 0 1 541 59 59 LYS HB3 H 0.71 0.005 1 542 59 59 LYS HG2 H 1.536 0 1 543 59 59 LYS HG3 H 1.159 0.012 1 544 59 59 LYS HD2 H 1.704 0 1 545 59 59 LYS HE2 H 3.009 0 1 546 59 59 LYS HE3 H 3.058 0 1 547 59 59 LYS C C 175.889 0 1 548 59 59 LYS CA C 58.985 0.064 1 549 59 59 LYS CB C 31.992 0.084 1 550 59 59 LYS CG C 25.048 0.047 1 551 59 59 LYS CD C 30.484 0 1 552 59 59 LYS CE C 42.491 0 1 553 59 59 LYS N N 123.744 0.04 1 554 60 60 GLY H H 9.615 0.007 1 555 60 60 GLY HA2 H 4.314 0.015 1 556 60 60 GLY HA3 H 3.518 0 1 557 60 60 GLY C C 173.719 0 1 558 60 60 GLY CA C 45.234 0.153 1 559 60 60 GLY N N 118.01 0.07 1 560 61 61 SER H H 8.191 0.002 1 561 61 61 SER HA H 4.772 0.003 1 562 61 61 SER HB2 H 4.25 0.017 1 563 61 61 SER HB3 H 4.219 0.007 1 564 61 61 SER C C 172.279 0 1 565 61 61 SER CA C 58.439 0.1 1 566 61 61 SER CB C 65.187 0.058 1 567 61 61 SER N N 115.518 0.07 1 568 62 62 THR H H 8.768 0.004 1 569 62 62 THR HA H 5.65 0.007 1 570 62 62 THR HB H 4.313 0.009 1 571 62 62 THR HG2 H 1.232 0.006 1 572 62 62 THR C C 178.631 0 1 573 62 62 THR CA C 60.429 0.108 1 574 62 62 THR CB C 72.809 0.27 1 575 62 62 THR CG2 C 21.446 0 1 576 62 62 THR N N 106.797 0.095 1 577 63 63 PHE H H 8.321 0.003 1 578 63 63 PHE HA H 5.273 0 1 579 63 63 PHE HB2 H 2.928 0 1 580 63 63 PHE HB3 H 2.677 0 1 581 63 63 PHE C C 174.605 0 1 582 63 63 PHE CA C 56.253 0.107 1 583 63 63 PHE CB C 36.789 0.029 1 584 63 63 PHE N N 122.203 0.061 1 585 64 64 HIS H H 7.604 0.003 1 586 64 64 HIS HA H 4.683 0.006 1 587 64 64 HIS HB2 H 3.244 0 1 588 64 64 HIS HB3 H 2.791 0 1 589 64 64 HIS C C 175.325 0 1 590 64 64 HIS CA C 57.191 0.145 1 591 64 64 HIS CB C 31.507 0.088 1 592 64 64 HIS N N 120.375 0.059 1 593 65 65 ARG H H 7.025 0.005 1 594 65 65 ARG HA H 5 0.014 1 595 65 65 ARG HB2 H 1.268 0.01 1 596 65 65 ARG HG2 H 1.534 0.001 1 597 65 65 ARG HG3 H 1.265 0 1 598 65 65 ARG HD2 H 3.136 0 1 599 65 65 ARG HD3 H 3.124 0 1 600 65 65 ARG C C 173.501 0 1 601 65 65 ARG CA C 54.964 0.124 1 602 65 65 ARG CB C 33.52 0.135 1 603 65 65 ARG CG C 28.009 0.226 1 604 65 65 ARG CD C 43.508 0.102 1 605 65 65 ARG N N 122.68 0.028 1 606 66 66 VAL H H 9.484 0.002 1 607 66 66 VAL HA H 4.446 0 1 608 66 66 VAL HB H 1.857 0.01 1 609 66 66 VAL HG1 H 1.054 0 1 610 66 66 VAL HG2 H 0.843 0.001 1 611 66 66 VAL C C 173.145 0 1 612 66 66 VAL CA C 62.263 0.01 1 613 66 66 VAL CB C 35.35 0.056 1 614 66 66 VAL CG1 C 21.938 0 1 615 66 66 VAL CG2 C 21.483 0 1 616 66 66 VAL N N 127.779 0.052 1 617 67 67 ILE H H 8.728 0.005 1 618 67 67 ILE HA H 5.214 0.009 1 619 67 67 ILE HB H 1.936 0 1 620 67 67 ILE HG12 H 1.481 0 1 621 67 67 ILE HG13 H 1.247 0 1 622 67 67 ILE HG2 H 1.208 0 1 623 67 67 ILE HD1 H 0.976 0 1 624 67 67 ILE CA C 57.406 0.149 1 625 67 67 ILE CB C 40.657 0.018 1 626 67 67 ILE CG1 C 27.23 0.139 1 627 67 67 ILE CG2 C 17.779 0 1 628 67 67 ILE CD1 C 14.454 0 1 629 67 67 ILE N N 127.633 0.053 1 630 68 68 PRO HA H 4.263 0.004 1 631 68 68 PRO HB2 H 2.339 0 1 632 68 68 PRO HB3 H 2.031 0 1 633 68 68 PRO HG2 H 1.91 0 1 634 68 68 PRO HG3 H 2.003 0 1 635 68 68 PRO HD2 H 3.427 0.005 1 636 68 68 PRO HD3 H 3.974 0.004 1 637 68 68 PRO C C 176.137 0 1 638 68 68 PRO CA C 62.957 0.014 1 639 68 68 PRO CB C 32.448 0.009 1 640 68 68 PRO CG C 27.399 0.013 1 641 68 68 PRO CD C 51.969 0.081 1 642 69 69 GLU H H 9.269 0.005 1 643 69 69 GLU HA H 3.756 0.026 1 644 69 69 GLU HB2 H 2.244 0.001 1 645 69 69 GLU HG2 H 2.162 0 1 646 69 69 GLU C C 173.885 0 1 647 69 69 GLU CA C 57.344 0.166 1 648 69 69 GLU CB C 26.823 0.005 1 649 69 69 GLU CG C 36.976 0 1 650 69 69 GLU N N 116.443 0.029 1 651 70 70 PHE H H 7.618 0.002 1 652 70 70 PHE HA H 5.087 0 1 653 70 70 PHE HB2 H 3.279 0 1 654 70 70 PHE HB3 H 2.954 0 1 655 70 70 PHE C C 173.172 0 1 656 70 70 PHE CA C 57.829 0.104 1 657 70 70 PHE CB C 38.781 0.125 1 658 70 70 PHE N N 114.221 0.056 1 659 71 71 MET H H 8.12 0.004 1 660 71 71 MET HA H 5.402 0.008 1 661 71 71 MET HB2 H 2.139 0 1 662 71 71 MET HB3 H 1.657 0 1 663 71 71 MET HG2 H 1.037 0.006 1 664 71 71 MET HG3 H 1.026 0 1 665 71 71 MET C C 173.81 0 1 666 71 71 MET CA C 55.097 0.105 1 667 71 71 MET CB C 35.467 0.036 1 668 71 71 MET CG C 28.407 0.109 1 669 71 71 MET N N 112.387 0.116 1 670 72 72 CYS H H 8.477 0.004 1 671 72 72 CYS HA H 4.918 0.003 1 672 72 72 CYS HB2 H 2.51 0 1 673 72 72 CYS HB3 H 2.841 0.003 1 674 72 72 CYS C C 172.557 0 1 675 72 72 CYS CA C 57.174 0.131 1 676 72 72 CYS CB C 30.793 0.134 1 677 72 72 CYS N N 115.135 0.034 1 678 73 73 GLN H H 9.374 0.004 1 679 73 73 GLN HA H 5.199 0.007 1 680 73 73 GLN HB2 H 1.933 0 1 681 73 73 GLN HB3 H 1.97 0 1 682 73 73 GLN HG2 H 2.482 0.004 1 683 73 73 GLN HG3 H 1.964 0.017 1 684 73 73 GLN C C 173.975 0 1 685 73 73 GLN CA C 54.09 0.146 1 686 73 73 GLN CB C 31.319 0.16 1 687 73 73 GLN CG C 33.257 0.063 1 688 73 73 GLN N N 125.206 0.063 1 689 74 74 GLY H H 7.28 0.003 1 690 74 74 GLY HA2 H 4.854 0.009 1 691 74 74 GLY HA3 H 2.958 0.005 1 692 74 74 GLY C C 173.083 0 1 693 74 74 GLY CA C 45.195 0.125 1 694 74 74 GLY N N 109.69 0.035 1 695 75 75 GLY H H 9.318 0.004 1 696 75 75 GLY HA2 H 3.947 0.005 1 697 75 75 GLY HA3 H 4.915 0 1 698 75 75 GLY C C 175.206 0 1 699 75 75 GLY CA C 46.777 0.045 1 700 75 75 GLY N N 106.122 0.086 1 701 76 76 ASP H H 10.073 0.002 1 702 76 76 ASP HA H 4.434 0.002 1 703 76 76 ASP HB2 H 2.952 0 1 704 76 76 ASP HB3 H 1.743 0 1 705 76 76 ASP C C 176.574 0 1 706 76 76 ASP CA C 51.951 0.183 1 707 76 76 ASP CB C 39.142 0.08 1 708 76 76 ASP N N 123.896 0.015 1 709 77 77 PHE H H 6.785 0.002 1 710 77 77 PHE HA H 4.954 0 1 711 77 77 PHE HB2 H 2.755 0.005 1 712 77 77 PHE HB3 H 4.061 0.001 1 713 77 77 PHE C C 175.381 0 1 714 77 77 PHE CA C 56.201 0.105 1 715 77 77 PHE CB C 39.148 0.055 1 716 77 77 PHE N N 116.425 0.025 1 717 78 78 THR H H 7.625 0.006 1 718 78 78 THR HA H 4.756 0 1 719 78 78 THR HB H 4.288 0.018 1 720 78 78 THR HG2 H 0.889 0.007 1 721 78 78 THR C C 175.592 0 1 722 78 78 THR CA C 62.508 0.079 1 723 78 78 THR CB C 68.737 0.076 1 724 78 78 THR CG2 C 23.592 0.033 1 725 78 78 THR N N 109.737 0.037 1 726 79 79 ARG H H 8.897 0.005 1 727 79 79 ARG HA H 4.547 0.006 1 728 79 79 ARG HB2 H 1.592 0.008 1 729 79 79 ARG HB3 H 1.917 0.003 1 730 79 79 ARG HG2 H 1.524 0.013 1 731 79 79 ARG HG3 H 1.546 0 1 732 79 79 ARG HD2 H 3.118 0 1 733 79 79 ARG HD3 H 3.092 0 1 734 79 79 ARG C C 177.592 0 1 735 79 79 ARG CA C 55.631 0.113 1 736 79 79 ARG CB C 32.608 0.142 1 737 79 79 ARG CG C 26.697 0.123 1 738 79 79 ARG CD C 42.911 0 1 739 79 79 ARG N N 122.058 0.04 1 740 80 80 GLY H H 7.245 0.006 1 741 80 80 GLY HA2 H 4.096 0 1 742 80 80 GLY HA3 H 3.95 0 1 743 80 80 GLY C C 173.078 0 1 744 80 80 GLY CA C 46.623 0.069 1 745 80 80 GLY N N 105.57 0.085 1 746 81 81 ASN H H 7.329 0.002 1 747 81 81 ASN HA H 4.715 0 1 748 81 81 ASN HB2 H 3.202 0 1 749 81 81 ASN HB3 H 2.663 0 1 750 81 81 ASN C C 175.68 0 1 751 81 81 ASN CA C 51.987 0.199 1 752 81 81 ASN CB C 39.149 0.038 1 753 81 81 ASN N N 113.193 0.048 1 754 82 82 GLY H H 9.593 0.003 1 755 82 82 GLY HA2 H 4.537 0 1 756 82 82 GLY HA3 H 3.361 0 1 757 82 82 GLY C C 175.895 0 1 758 82 82 GLY CA C 45.065 0.102 1 759 82 82 GLY N N 110.359 0.028 1 760 83 83 THR H H 7.911 0.004 1 761 83 83 THR HA H 4.529 0.022 1 762 83 83 THR HB H 4.33 0.001 1 763 83 83 THR HG2 H 1.104 0 1 764 83 83 THR C C 175.881 0 1 765 83 83 THR CA C 62.317 0.051 1 766 83 83 THR CB C 70.516 0.04 1 767 83 83 THR CG2 C 21.015 0 1 768 83 83 THR N N 111.791 0.048 1 769 84 84 GLY H H 8.733 0.003 1 770 84 84 GLY HA2 H 4.556 0.002 1 771 84 84 GLY HA3 H 3.672 0.005 1 772 84 84 GLY C C 175.263 0 1 773 84 84 GLY CA C 44.993 0.134 1 774 84 84 GLY N N 113.909 0.019 1 775 85 85 GLY H H 8.363 0.006 1 776 85 85 GLY HA2 H 4.753 0 1 777 85 85 GLY HA3 H 2.675 0.003 1 778 85 85 GLY C C 171.997 0 1 779 85 85 GLY CA C 43.49 0.1 1 780 85 85 GLY N N 109.79 0.044 1 781 86 86 GLU H H 6.983 0.002 1 782 86 86 GLU HA H 4.496 0.006 1 783 86 86 GLU HB2 H 1.979 0 1 784 86 86 GLU HB3 H 2.026 0.006 1 785 86 86 GLU HG2 H 2.416 0 1 786 86 86 GLU HG3 H 2.143 0 1 787 86 86 GLU C C 172.988 0 1 788 86 86 GLU CA C 56.743 0.08 1 789 86 86 GLU CB C 32.908 0.113 1 790 86 86 GLU CG C 36.092 0 1 791 86 86 GLU N N 119.462 0.029 1 792 87 87 SER H H 8.178 0.003 1 793 87 87 SER HA H 5.058 0.006 1 794 87 87 SER HB2 H 4.316 0.005 1 795 87 87 SER C C 175.909 0 1 796 87 87 SER CA C 57.389 0.087 1 797 87 87 SER CB C 68.659 0.024 1 798 87 87 SER N N 116.784 0.053 1 799 88 88 ILE H H 8.67 0.002 1 800 88 88 ILE HA H 3.987 0.008 1 801 88 88 ILE HB H 1.742 0.008 1 802 88 88 ILE HG12 H 0.768 0 1 803 88 88 ILE HG13 H -0.351 0.003 1 804 88 88 ILE HG2 H 0.796 0.013 1 805 88 88 ILE HD1 H 0.508 0.013 1 806 88 88 ILE C C 175.895 0 1 807 88 88 ILE CA C 63.83 0.095 1 808 88 88 ILE CB C 37.174 0.099 1 809 88 88 ILE CG1 C 23.101 0.095 1 810 88 88 ILE CG2 C 17.587 0.025 1 811 88 88 ILE CD1 C 14.436 0.119 1 812 88 88 ILE N N 112.095 0.031 1 813 89 89 TYR H H 7.874 0.003 1 814 89 89 TYR HA H 4.703 0 1 815 89 89 TYR HB2 H 3.474 0.021 1 816 89 89 TYR HB3 H 2.457 0.008 1 817 89 89 TYR C C 175.768 0 1 818 89 89 TYR CA C 56.412 0.077 1 819 89 89 TYR CB C 38.661 0.018 1 820 89 89 TYR N N 120.113 0.044 1 821 90 90 GLY H H 7.315 0.004 1 822 90 90 GLY HA2 H 4.584 0 1 823 90 90 GLY HA3 H 3.943 0 1 824 90 90 GLY CA C 44.581 0 1 825 90 90 GLY N N 107.264 0.034 1 826 91 91 GLU HA H 4.225 0.001 1 827 91 91 GLU HB2 H 2.349 0.01 1 828 91 91 GLU HB3 H 2.358 0.024 1 829 91 91 GLU HG2 H 2.213 0 1 830 91 91 GLU C C 175.747 0 1 831 91 91 GLU CA C 59.041 0.041 1 832 91 91 GLU CB C 30.968 0.032 1 833 91 91 GLU CG C 36.34 0.022 1 834 92 92 LYS H H 8.092 0.003 1 835 92 92 LYS HA H 5.392 0.009 1 836 92 92 LYS HB2 H 1.644 0.01 1 837 92 92 LYS HB3 H 2.152 0 1 838 92 92 LYS HG2 H 1.339 0.001 1 839 92 92 LYS HG3 H 1.31 0.005 1 840 92 92 LYS HD2 H 1.622 0.001 1 841 92 92 LYS HD3 H 1.593 0 1 842 92 92 LYS HE2 H 2.553 0 1 843 92 92 LYS HE3 H 3.016 0 1 844 92 92 LYS C C 176.033 0 1 845 92 92 LYS CA C 54.95 0.109 1 846 92 92 LYS CB C 35.536 0.075 1 847 92 92 LYS CG C 24.697 0.045 1 848 92 92 LYS CD C 29.312 0.135 1 849 92 92 LYS CE C 41.453 0 1 850 92 92 LYS N N 115.154 0.097 1 851 93 93 PHE H H 9.11 0.004 1 852 93 93 PHE HA H 5.097 0.013 1 853 93 93 PHE HB2 H 3.054 0.018 1 854 93 93 PHE HB3 H 2.99 0 1 855 93 93 PHE C C 173.632 0 1 856 93 93 PHE CA C 55.692 0.12 1 857 93 93 PHE CB C 42.325 0.026 1 858 93 93 PHE N N 117.006 0.025 1 859 94 94 ALA H H 8.409 0.005 1 860 94 94 ALA HA H 3.867 0.002 1 861 94 94 ALA HB H 1.382 0.002 1 862 94 94 ALA C C 175.336 0 1 863 94 94 ALA CA C 52.409 0.155 1 864 94 94 ALA CB C 19.39 0.037 1 865 94 94 ALA N N 122.204 0.049 1 866 95 95 ASP H H 8.908 0.001 1 867 95 95 ASP HA H 4.337 0.026 1 868 95 95 ASP HB2 H 2.511 0.025 1 869 95 95 ASP HB3 H 2.248 0.005 1 870 95 95 ASP C C 176.966 0 1 871 95 95 ASP CA C 55.291 0.099 1 872 95 95 ASP CB C 41.314 0.065 1 873 95 95 ASP N N 119.396 0.058 1 874 96 96 GLU H H 8.557 0.003 1 875 96 96 GLU HA H 4.131 0.007 1 876 96 96 GLU HB2 H 2.506 0.015 1 877 96 96 GLU HB3 H 2.539 0 1 878 96 96 GLU HG2 H 2.492 0 1 879 96 96 GLU HG3 H 2.314 0 1 880 96 96 GLU C C 174.169 0 1 881 96 96 GLU CA C 58.137 0.071 1 882 96 96 GLU CB C 31.985 0.071 1 883 96 96 GLU CG C 37.655 0.061 1 884 96 96 GLU N N 127.758 0.043 1 885 97 97 VAL H H 6.818 0.002 1 886 97 97 VAL HA H 4.06 0.001 1 887 97 97 VAL HB H 2.324 0.003 1 888 97 97 VAL HG1 H 1.103 0.002 1 889 97 97 VAL HG2 H 1.077 0 1 890 97 97 VAL C C 174.184 0 1 891 97 97 VAL CA C 61.356 0.044 1 892 97 97 VAL CB C 33.276 0.039 1 893 97 97 VAL CG1 C 21.144 0.014 1 894 97 97 VAL CG2 C 21.16 0 1 895 97 97 VAL N N 111.272 0.04 1 896 98 98 PHE H H 8.531 0.002 1 897 98 98 PHE HA H 5.322 0.006 1 898 98 98 PHE HB2 H 2.893 0.007 1 899 98 98 PHE HB3 H 3.427 0.02 1 900 98 98 PHE C C 176.169 0 1 901 98 98 PHE CA C 56.611 0.203 1 902 98 98 PHE CB C 37.021 0.069 1 903 98 98 PHE N N 125.663 0.029 1 904 99 99 LYS H H 7.026 0.002 1 905 99 99 LYS HA H 3.976 0.005 1 906 99 99 LYS HB2 H 1.172 0.01 1 907 99 99 LYS HB3 H 1.527 0.017 1 908 99 99 LYS HG2 H 0.885 0.007 1 909 99 99 LYS HG3 H 0.377 0.001 1 910 99 99 LYS HD2 H 1.413 0 1 911 99 99 LYS HD3 H 1.23 0 1 912 99 99 LYS HE2 H 2.709 0.001 1 913 99 99 LYS HE3 H 2.709 0.001 1 914 99 99 LYS C C 176.098 0 1 915 99 99 LYS CA C 58.144 0.075 1 916 99 99 LYS CB C 34.494 0.025 1 917 99 99 LYS CG C 24.666 0.057 1 918 99 99 LYS CD C 29.499 0.042 1 919 99 99 LYS CE C 41.951 0.031 1 920 99 99 LYS N N 120.625 0.029 1 921 100 100 PHE H H 7.711 0.002 1 922 100 100 PHE HA H 4.814 0 1 923 100 100 PHE HB2 H 2.695 0.007 1 924 100 100 PHE HB3 H 3.433 0.021 1 925 100 100 PHE C C 174.648 0 1 926 100 100 PHE CA C 57.144 0.09 1 927 100 100 PHE CB C 40.913 0.126 1 928 100 100 PHE N N 115.471 0.038 1 929 101 101 LYS H H 8.538 0.003 1 930 101 101 LYS HA H 4.611 0.007 1 931 101 101 LYS HB2 H 1.704 0 1 932 101 101 LYS HB3 H 1.652 0.009 1 933 101 101 LYS HG2 H 1.492 0 1 934 101 101 LYS HG3 H 1.343 0.009 1 935 101 101 LYS HD2 H 1.722 0 1 936 101 101 LYS HD3 H 1.717 0 1 937 101 101 LYS HE2 H 3.038 0.025 1 938 101 101 LYS HE3 H 3.039 0 1 939 101 101 LYS C C 176.885 0 1 940 101 101 LYS CA C 55.381 0.094 1 941 101 101 LYS CB C 35.524 0.144 1 942 101 101 LYS CG C 25.731 0.056 1 943 101 101 LYS CD C 28.947 0.091 1 944 101 101 LYS CE C 39.394 0 1 945 101 101 LYS N N 120.358 0.054 1 946 102 102 HIS H H 10.689 0.007 1 947 102 102 HIS HA H 4.61 0.001 1 948 102 102 HIS HB2 H 3.131 0.016 1 949 102 102 HIS HB3 H 3.082 0.007 1 950 102 102 HIS C C 178.158 0 1 951 102 102 HIS CA C 55.505 0.091 1 952 102 102 HIS CB C 25.569 0.018 1 953 102 102 HIS N N 123.42 0.071 1 954 103 103 ASP H H 7.957 0.006 1 955 103 103 ASP HA H 4.674 0.002 1 956 103 103 ASP HB2 H 2.532 0.014 1 957 103 103 ASP HB3 H 3.133 0.007 1 958 103 103 ASP C C 176.08 0 1 959 103 103 ASP CA C 53.538 0.111 1 960 103 103 ASP CB C 41.71 0.152 1 961 103 103 ASP N N 118.152 0.047 1 962 104 104 SER H H 7.402 0.002 1 963 104 104 SER HA H 4.963 0.01 1 964 104 104 SER HB2 H 3.859 0.001 1 965 104 104 SER HB3 H 3.675 0.02 1 966 104 104 SER CA C 56.452 0.12 1 967 104 104 SER CB C 64.512 0.132 1 968 104 104 SER N N 111.971 0.067 1 969 105 105 PRO HA H 3.851 0.007 1 970 105 105 PRO HB2 H 2.253 0 1 971 105 105 PRO HB3 H 1.869 0.008 1 972 105 105 PRO HG2 H 1.963 0 1 973 105 105 PRO HG3 H 2.236 0.01 1 974 105 105 PRO C C 177.353 0 1 975 105 105 PRO CA C 63.39 0.03 1 976 105 105 PRO CB C 32.317 0.108 1 977 105 105 PRO CG C 28.431 0.121 1 978 106 106 GLY H H 9.323 0.005 1 979 106 106 GLY HA2 H 4.427 0 1 980 106 106 GLY HA3 H 3.292 0 1 981 106 106 GLY C C 172.945 0 1 982 106 106 GLY CA C 45.959 0.066 1 983 106 106 GLY N N 111.076 0.054 1 984 107 107 ILE H H 6.789 0.002 1 985 107 107 ILE HA H 3.955 0 1 986 107 107 ILE HB H 2.109 0 1 987 107 107 ILE HG12 H 1.929 0 1 988 107 107 ILE HG13 H 1.875 0 1 989 107 107 ILE HG2 H 0.709 0 1 990 107 107 ILE HD1 H 0.942 0.007 1 991 107 107 ILE C C 173.122 0 1 992 107 107 ILE CA C 59.932 0.048 1 993 107 107 ILE CB C 38.09 0.005 1 994 107 107 ILE CG1 C 28.845 0 1 995 107 107 ILE CG2 C 20.539 0 1 996 107 107 ILE CD1 C 13.817 0.048 1 997 107 107 ILE N N 121.409 0.02 1 998 108 108 LEU H H 7.623 0.006 1 999 108 108 LEU HA H 4.893 0.002 1 1000 108 108 LEU HB2 H 0.175 0.012 1 1001 108 108 LEU HB3 H 0.076 0 1 1002 108 108 LEU HG H 0.461 0 1 1003 108 108 LEU HD1 H 0.155 0.003 1 1004 108 108 LEU HD2 H -0.132 0.002 1 1005 108 108 LEU C C 174.185 0 1 1006 108 108 LEU CA C 53.257 0.149 1 1007 108 108 LEU CB C 43.634 0.026 1 1008 108 108 LEU CG C 26.35 0.206 1 1009 108 108 LEU CD1 C 24.439 0.019 1 1010 108 108 LEU CD2 C 25.962 0.087 1 1011 108 108 LEU N N 128.162 0.044 1 1012 109 109 SER H H 8.404 0.002 1 1013 109 109 SER HA H 5.275 0.006 1 1014 109 109 SER HB2 H 3.25 0.021 1 1015 109 109 SER HB3 H 2.809 0.011 1 1016 109 109 SER C C 174.682 0 1 1017 109 109 SER CA C 55.075 0.127 1 1018 109 109 SER CB C 65.334 0.136 1 1019 109 109 SER N N 118.409 0.086 1 1020 110 110 MET H H 8.123 0.004 1 1021 110 110 MET HA H 5.419 0.015 1 1022 110 110 MET HB2 H 2.577 0.011 1 1023 110 110 MET HB3 H 2.764 0 1 1024 110 110 MET HG2 H 2.817 0.02 1 1025 110 110 MET HG3 H 2.566 0 1 1026 110 110 MET C C 177.852 0 1 1027 110 110 MET CA C 53.735 0.116 1 1028 110 110 MET CB C 31.416 0.323 1 1029 110 110 MET CG C 32.465 0.024 1 1030 110 110 MET N N 122.474 0.057 1 1031 111 111 ALA H H 8.022 0.004 1 1032 111 111 ALA HA H 4.254 0 1 1033 111 111 ALA HB H 1.137 0.008 1 1034 111 111 ALA C C 175.21 0 1 1035 111 111 ALA CA C 51.84 0.219 1 1036 111 111 ALA CB C 19.503 0.059 1 1037 111 111 ALA N N 126.868 0.061 1 1038 112 112 ASN H H 8.195 0.005 1 1039 112 112 ASN HA H 4.621 0.004 1 1040 112 112 ASN HB2 H 2.925 0 1 1041 112 112 ASN HB3 H 3.309 0 1 1042 112 112 ASN C C 173.888 0 1 1043 112 112 ASN CA C 54.168 0.125 1 1044 112 112 ASN CB C 40.512 0.019 1 1045 112 112 ASN N N 113.884 0.05 1 1046 113 113 ALA H H 8.819 0.004 1 1047 113 113 ALA HA H 4.832 0 1 1048 113 113 ALA HB H 1.361 0.001 1 1049 113 113 ALA C C 176.888 0 1 1050 113 113 ALA CA C 50.649 0.208 1 1051 113 113 ALA CB C 19.301 0.04 1 1052 113 113 ALA N N 123.449 0.051 1 1053 114 114 GLY H H 8.127 0.004 1 1054 114 114 GLY HA2 H 4.65 0 1 1055 114 114 GLY HA3 H 3.771 0 1 1056 114 114 GLY CA C 43.609 0 1 1057 114 114 GLY N N 109.197 0.052 1 1058 115 115 PRO HA H 4.386 0 1 1059 115 115 PRO HB2 H 2.329 0 1 1060 115 115 PRO HB3 H 1.86 0.002 1 1061 115 115 PRO HD2 H 3.993 0 1 1062 115 115 PRO HD3 H 3.74 0 1 1063 115 115 PRO C C 176.287 0 1 1064 115 115 PRO CA C 64.005 0.044 1 1065 115 115 PRO CB C 32.158 0.099 1 1066 115 115 PRO CD C 51.027 0.16 1 1067 116 116 ASN H H 8.874 0.004 1 1068 116 116 ASN HA H 4.115 0 1 1069 116 116 ASN HB2 H 3.168 0 1 1070 116 116 ASN HB3 H 2.719 0 1 1071 116 116 ASN C C 174.874 0 1 1072 116 116 ASN CA C 54.535 0.12 1 1073 116 116 ASN CB C 37.081 0.117 1 1074 116 116 ASN N N 118.79 0.046 1 1075 117 117 THR H H 10.145 0.005 1 1076 117 117 THR HA H 4.473 0.015 1 1077 117 117 THR HB H 4.454 0.011 1 1078 117 117 THR HG2 H 0.945 0.002 1 1079 117 117 THR C C 173.567 0 1 1080 117 117 THR CA C 60.289 0.075 1 1081 117 117 THR CB C 68.854 0.266 1 1082 117 117 THR CG2 C 21.273 0.076 1 1083 117 117 THR N N 110.046 0.112 1 1084 118 118 ASN H H 7.311 0.003 1 1085 118 118 ASN HA H 4.223 0 1 1086 118 118 ASN HB2 H 1.513 0.016 1 1087 118 118 ASN HB3 H 0.843 0.008 1 1088 118 118 ASN C C 173.984 0 1 1089 118 118 ASN CA C 55.955 0.099 1 1090 118 118 ASN CB C 39.414 0.021 1 1091 118 118 ASN N N 120.393 0.06 1 1092 119 119 GLY H H 9.085 0.005 1 1093 119 119 GLY HA2 H 3.682 0.027 1 1094 119 119 GLY HA3 H 4.621 0.004 1 1095 119 119 GLY C C 171.297 0 1 1096 119 119 GLY CA C 45.789 0.081 1 1097 119 119 GLY N N 110.827 0.045 1 1098 120 120 SER H H 8.763 0.004 1 1099 120 120 SER HA H 4.775 0 1 1100 120 120 SER HB2 H 4.188 0 1 1101 120 120 SER HB3 H 4.201 0.015 1 1102 120 120 SER C C 175.942 0 1 1103 120 120 SER CA C 57.824 0.068 1 1104 120 120 SER CB C 66.46 0.052 1 1105 120 120 SER N N 117.307 0.031 1 1106 121 121 GLN H H 8.403 0.002 1 1107 121 121 GLN HA H 5.24 0.013 1 1108 121 121 GLN HB2 H 2.466 0 1 1109 121 121 GLN HB3 H 1.882 0 1 1110 121 121 GLN HG2 H 2.432 0 1 1111 121 121 GLN HG3 H 2.141 0 1 1112 121 121 GLN C C 175.017 0 1 1113 121 121 GLN CA C 57.569 0.093 1 1114 121 121 GLN CB C 32.259 0.013 1 1115 121 121 GLN CG C 35.794 0.22 1 1116 121 121 GLN N N 124.373 0.061 1 1117 122 122 PHE H H 8.086 0.003 1 1118 122 122 PHE HA H 5.814 0.006 1 1119 122 122 PHE HB2 H 3.332 0.011 1 1120 122 122 PHE HB3 H 3.316 0 1 1121 122 122 PHE C C 172.073 0 1 1122 122 122 PHE CA C 55.322 0.122 1 1123 122 122 PHE CB C 43.6 0.021 1 1124 122 122 PHE N N 118.587 0.076 1 1125 123 123 PHE H H 9.783 0.002 1 1126 123 123 PHE HA H 5.677 0 1 1127 123 123 PHE HB2 H 2.857 0.004 1 1128 123 123 PHE HB3 H 2.86 0 1 1129 123 123 PHE C C 174.627 0 1 1130 123 123 PHE CA C 54.64 0.124 1 1131 123 123 PHE CB C 42.996 0.146 1 1132 123 123 PHE N N 116.606 0.027 1 1133 124 124 ILE H H 8.923 0.004 1 1134 124 124 ILE HA H 4.904 0.015 1 1135 124 124 ILE HB H 1.639 0.012 1 1136 124 124 ILE HG12 H 1.808 0 1 1137 124 124 ILE HG13 H 0.881 0.008 1 1138 124 124 ILE HG2 H 0.713 0.005 1 1139 124 124 ILE HD1 H 0.988 0.003 1 1140 124 124 ILE C C 177.343 0 1 1141 124 124 ILE CA C 60.222 0.072 1 1142 124 124 ILE CB C 40.483 0.155 1 1143 124 124 ILE CG1 C 27.677 0.06 1 1144 124 124 ILE CG2 C 17.508 0.045 1 1145 124 124 ILE CD1 C 13.769 0.161 1 1146 124 124 ILE N N 118.497 0.043 1 1147 125 125 CYS H H 9.228 0.004 1 1148 125 125 CYS HA H 4.806 0.001 1 1149 125 125 CYS HB2 H 3.493 0 1 1150 125 125 CYS HB3 H 3.018 0.006 1 1151 125 125 CYS C C 176.826 0 1 1152 125 125 CYS CA C 60.098 0.068 1 1153 125 125 CYS CB C 29.207 0.142 1 1154 125 125 CYS N N 126.071 0.063 1 1155 126 126 THR H H 9.02 0.002 1 1156 126 126 THR HA H 4.2 0.011 1 1157 126 126 THR HB H 4.346 0.004 1 1158 126 126 THR HG2 H 0.983 0.003 1 1159 126 126 THR C C 172.387 0 1 1160 126 126 THR CA C 62.703 0.077 1 1161 126 126 THR CB C 67.741 0.204 1 1162 126 126 THR CG2 C 23.187 0 1 1163 126 126 THR N N 116.209 0.059 1 1164 127 127 VAL H H 7.521 0.002 1 1165 127 127 VAL HA H 4.662 0.002 1 1166 127 127 VAL HB H 2.376 0.004 1 1167 127 127 VAL HG1 H 0.951 0.003 1 1168 127 127 VAL CA C 58.19 0.127 1 1169 127 127 VAL CB C 34.461 0.127 1 1170 127 127 VAL CG1 C 22.601 0.023 1 1171 127 127 VAL N N 113.702 0.095 1 1172 128 128 PRO HA H 4.228 0.006 1 1173 128 128 PRO HB2 H 2.149 0 1 1174 128 128 PRO HG2 H 1.657 0 1 1175 128 128 PRO HD2 H 3.737 0 1 1176 128 128 PRO HD3 H 3.517 0 1 1177 128 128 PRO C C 176.468 0 1 1178 128 128 PRO CA C 63.63 0.119 1 1179 128 128 PRO CB C 31.416 0.378 1 1180 128 128 PRO CG C 27.149 0 1 1181 129 129 CYS H H 8.103 0.003 1 1182 129 129 CYS HA H 4.077 0 1 1183 129 129 CYS HB2 H 2.218 0.002 1 1184 129 129 CYS HB3 H 1.412 0.001 1 1185 129 129 CYS C C 175.379 0 1 1186 129 129 CYS CA C 55.863 0.14 1 1187 129 129 CYS CB C 28.336 0.084 1 1188 129 129 CYS N N 122.967 0.059 1 1189 130 130 SER H H 8.849 0.001 1 1190 130 130 SER HA H 4.18 0.012 1 1191 130 130 SER HB2 H 4.047 0.005 1 1192 130 130 SER C C 176.086 0.154 1 1193 130 130 SER CA C 61.398 0.067 1 1194 130 130 SER CB C 62.88 0.06 1 1195 130 130 SER N N 119.464 0.038 1 1196 131 131 TRP H H 7.352 0.002 1 1197 131 131 TRP HA H 4.646 0.026 1 1198 131 131 TRP HB2 H 3.442 0.002 1 1199 131 131 TRP HB3 H 3.354 0 1 1200 131 131 TRP HE1 H 9.756 0 1 1201 131 131 TRP C C 176.497 0 1 1202 131 131 TRP CA C 59.661 0.031 1 1203 131 131 TRP CB C 27.332 0.028 1 1204 131 131 TRP N N 119.317 0.095 1 1205 131 131 TRP NE1 N 129.867 0 1 1206 132 132 LEU H H 7.239 0.006 1 1207 132 132 LEU HA H 4.239 0 1 1208 132 132 LEU HB2 H 0.937 0.01 1 1209 132 132 LEU HB3 H 0.491 0.013 1 1210 132 132 LEU HG H 0.338 0.01 1 1211 132 132 LEU HD1 H 0.645 0 1 1212 132 132 LEU C C 177.663 0 1 1213 132 132 LEU CA C 55.009 0.106 1 1214 132 132 LEU CB C 39.163 0.097 1 1215 132 132 LEU CG C 26.183 0.025 1 1216 132 132 LEU CD1 C 21.788 0.017 1 1217 132 132 LEU N N 120.376 0.07 1 1218 133 133 ASP H H 7.531 0.001 1 1219 133 133 ASP HA H 5.027 0.017 1 1220 133 133 ASP HB2 H 2.959 0 1 1221 133 133 ASP HB3 H 2.79 0 1 1222 133 133 ASP C C 178.081 0 1 1223 133 133 ASP CA C 56.264 0.103 1 1224 133 133 ASP CB C 39.233 0.029 1 1225 133 133 ASP N N 121.523 0.053 1 1226 134 134 GLY H H 9.487 0.004 1 1227 134 134 GLY HA2 H 3.963 0 1 1228 134 134 GLY HA3 H 2.917 0 1 1229 134 134 GLY C C 172.451 0 1 1230 134 134 GLY CA C 45.147 0.076 1 1231 134 134 GLY N N 110.621 0.035 1 1232 135 135 LYS H H 7.672 0.004 1 1233 135 135 LYS HA H 4.211 0.005 1 1234 135 135 LYS HB2 H 1.843 0.006 1 1235 135 135 LYS HB3 H 1.717 0 1 1236 135 135 LYS HG2 H 1.255 0.011 1 1237 135 135 LYS HG3 H 1.267 0 1 1238 135 135 LYS HD2 H 1.711 0 1 1239 135 135 LYS HD3 H 1.718 0 1 1240 135 135 LYS HE2 H 3.027 0 1 1241 135 135 LYS HE3 H 3.058 0 1 1242 135 135 LYS C C 175.474 0 1 1243 135 135 LYS CA C 56.322 0.107 1 1244 135 135 LYS CB C 35.397 0.037 1 1245 135 135 LYS CG C 25.215 0.012 1 1246 135 135 LYS CD C 29.176 0.105 1 1247 135 135 LYS CE C 42.408 0 1 1248 135 135 LYS N N 115.232 0.035 1 1249 136 136 HIS H H 7.446 0.004 1 1250 136 136 HIS HA H 4.029 0 1 1251 136 136 HIS HB2 H 3.308 0.003 1 1252 136 136 HIS HB3 H 4.058 0 1 1253 136 136 HIS C C 174.226 0 1 1254 136 136 HIS CA C 54.964 0.114 1 1255 136 136 HIS CB C 31.994 0.03 1 1256 136 136 HIS N N 118.89 0.04 1 1257 137 137 VAL H H 8.704 0.003 1 1258 137 137 VAL HA H 3.972 0.007 1 1259 137 137 VAL HG1 H 0.847 0 1 1260 137 137 VAL HG2 H 1.151 0 1 1261 137 137 VAL C C 174.736 0 1 1262 137 137 VAL CA C 64.383 0.121 1 1263 137 137 VAL CB C 33.226 0 1 1264 137 137 VAL CG1 C 22.028 0 1 1265 137 137 VAL CG2 C 21.49 0 1 1266 137 137 VAL N N 125.071 0.021 1 1267 138 138 VAL H H 8.599 0.003 1 1268 138 138 VAL HA H 4.379 0.013 1 1269 138 138 VAL HB H 1.944 0.001 1 1270 138 138 VAL HG1 H 0.982 0.001 1 1271 138 138 VAL HG2 H 0.22 0.005 1 1272 138 138 VAL C C 177.643 0 1 1273 138 138 VAL CA C 62.836 0.016 1 1274 138 138 VAL CB C 32.391 0.118 1 1275 138 138 VAL CG1 C 22.122 0.039 1 1276 138 138 VAL CG2 C 20.227 0.052 1 1277 138 138 VAL N N 131.8 0.045 1 1278 139 139 PHE H H 7.946 0.007 1 1279 139 139 PHE HA H 5.184 0.014 1 1280 139 139 PHE HB2 H 3.231 0.004 1 1281 139 139 PHE HB3 H 2.54 0 1 1282 139 139 PHE C C 171.719 0 1 1283 139 139 PHE CA C 55.74 0.096 1 1284 139 139 PHE CB C 41.256 0.01 1 1285 139 139 PHE N N 119.712 0.058 1 1286 140 140 GLY H H 6.928 0.005 1 1287 140 140 GLY HA2 H 2.206 0 1 1288 140 140 GLY HA3 H 3.527 0.016 1 1289 140 140 GLY C C 170.437 0 1 1290 140 140 GLY CA C 45.819 0.134 1 1291 140 140 GLY N N 110.611 0.072 1 1292 141 141 ARG H H 8.341 0.002 1 1293 141 141 ARG HA H 4.948 0.003 1 1294 141 141 ARG HB2 H 1.768 0.002 1 1295 141 141 ARG HB3 H 2.012 0 1 1296 141 141 ARG HG2 H 1.531 0.011 1 1297 141 141 ARG HG3 H 1.153 0 1 1298 141 141 ARG HD2 H 3.071 0.009 1 1299 141 141 ARG C C 174.693 0 1 1300 141 141 ARG CA C 54.721 0.122 1 1301 141 141 ARG CB C 32.838 0.134 1 1302 141 141 ARG CG C 26.222 0.087 1 1303 141 141 ARG CD C 43.603 0.006 1 1304 141 141 ARG N N 113.417 0.027 1 1305 142 142 VAL H H 9.054 0.004 1 1306 142 142 VAL HA H 3.914 0.009 1 1307 142 142 VAL HB H 1.986 0.014 1 1308 142 142 VAL HG1 H 0.847 0 1 1309 142 142 VAL HG2 H 0.851 0.014 1 1310 142 142 VAL C C 176.217 0 1 1311 142 142 VAL CA C 63.837 0.187 1 1312 142 142 VAL CB C 33.116 0 1 1313 142 142 VAL CG1 C 21.85 0 1 1314 142 142 VAL CG2 C 22.12 0.016 1 1315 142 142 VAL N N 122.723 0.031 1 1316 143 143 VAL H H 9.08 0.005 1 1317 143 143 VAL HA H 4.585 0.007 1 1318 143 143 VAL HB H 2.257 0 1 1319 143 143 VAL HG1 H 0.924 0 1 1320 143 143 VAL HG2 H 0.781 0 1 1321 143 143 VAL C C 175.889 0 1 1322 143 143 VAL CA C 61.616 0.054 1 1323 143 143 VAL CB C 33.431 0.154 1 1324 143 143 VAL CG1 C 22.72 0 1 1325 143 143 VAL CG2 C 19.001 0 1 1326 143 143 VAL N N 121.32 0.061 1 1327 144 144 GLU H H 7.943 0.003 1 1328 144 144 GLU HA H 4.724 0 1 1329 144 144 GLU HB2 H 2.06 0 1 1330 144 144 GLU HB3 H 1.857 0 1 1331 144 144 GLU HG2 H 2.366 0.003 1 1332 144 144 GLU HG3 H 2.207 0.008 1 1333 144 144 GLU C C 175.548 0 1 1334 144 144 GLU CA C 56.398 0.097 1 1335 144 144 GLU CB C 33.642 0 1 1336 144 144 GLU CG C 36.397 0.031 1 1337 144 144 GLU N N 120.834 0.031 1 1338 145 145 GLY H H 8.831 0.004 1 1339 145 145 GLY HA2 H 5.013 0.005 1 1340 145 145 GLY HA3 H 4.128 0.004 1 1341 145 145 GLY C C 177.505 0 1 1342 145 145 GLY CA C 46.289 0.082 1 1343 145 145 GLY N N 109.63 0.028 1 1344 146 146 MET H H 9 0.002 1 1345 146 146 MET HA H 4.607 0.001 1 1346 146 146 MET HB2 H 2.104 0 1 1347 146 146 MET HB3 H 2.092 0 1 1348 146 146 MET HG2 H 2.737 0.01 1 1349 146 146 MET HG3 H 2.577 0.011 1 1350 146 146 MET C C 178.72 0 1 1351 146 146 MET CA C 56.762 0.076 1 1352 146 146 MET CB C 29.291 0.164 1 1353 146 146 MET CG C 33.07 0.017 1 1354 146 146 MET N N 122.059 0.022 1 1355 147 147 ASP H H 9.201 0.002 1 1356 147 147 ASP HA H 4.318 0 1 1357 147 147 ASP HB2 H 2.732 0.004 1 1358 147 147 ASP HB3 H 2.726 0 1 1359 147 147 ASP C C 178.229 0 1 1360 147 147 ASP CA C 56.877 0.091 1 1361 147 147 ASP CB C 39.151 0.127 1 1362 147 147 ASP N N 116.985 0.021 1 1363 148 148 VAL H H 7.595 0.002 1 1364 148 148 VAL HA H 3.702 0.008 1 1365 148 148 VAL HB H 2.453 0 1 1366 148 148 VAL HG1 H 1.014 0 1 1367 148 148 VAL HG2 H 0.716 0 1 1368 148 148 VAL C C 178.21 0 1 1369 148 148 VAL CA C 65.459 0.124 1 1370 148 148 VAL CB C 31.17 0 1 1371 148 148 VAL CG1 C 21.156 0.053 1 1372 148 148 VAL CG2 C 20.244 0.046 1 1373 148 148 VAL N N 125.154 0.026 1 1374 149 149 VAL H H 7.439 0.004 1 1375 149 149 VAL HA H 3.455 0.002 1 1376 149 149 VAL HB H 2.588 0 1 1377 149 149 VAL HG1 H 1.157 0.006 1 1378 149 149 VAL HG2 H 0.91 0.021 1 1379 149 149 VAL C C 177.875 0 1 1380 149 149 VAL CA C 67.182 0.148 1 1381 149 149 VAL CB C 31.147 0.197 1 1382 149 149 VAL CG1 C 23.363 0.004 1 1383 149 149 VAL CG2 C 22.36 0 1 1384 149 149 VAL N N 119.696 0.03 1 1385 150 150 LYS H H 8.258 0.002 1 1386 150 150 LYS HA H 4.238 0.006 1 1387 150 150 LYS HB2 H 1.932 0.013 1 1388 150 150 LYS HB3 H 1.929 0 1 1389 150 150 LYS HG2 H 1.472 0 1 1390 150 150 LYS HG3 H 1.662 0 1 1391 150 150 LYS HD2 H 1.702 0 1 1392 150 150 LYS HD3 H 1.724 0 1 1393 150 150 LYS HE2 H 3.023 0 1 1394 150 150 LYS HE3 H 2.986 0 1 1395 150 150 LYS C C 179.096 0 1 1396 150 150 LYS CA C 58.297 0.067 1 1397 150 150 LYS CB C 30.697 0.117 1 1398 150 150 LYS CG C 24.555 0.023 1 1399 150 150 LYS CD C 27.358 0.067 1 1400 150 150 LYS CE C 42.2 0 1 1401 150 150 LYS N N 117.187 0.057 1 1402 151 151 ALA H H 7.713 0.002 1 1403 151 151 ALA HA H 4.169 0.003 1 1404 151 151 ALA HB H 1.603 0.002 1 1405 151 151 ALA C C 175.892 0 1 1406 151 151 ALA CA C 55.312 0.118 1 1407 151 151 ALA CB C 17.744 0.052 1 1408 151 151 ALA N N 123.182 0.028 1 1409 152 152 ILE H H 8.102 0.002 1 1410 152 152 ILE HA H 3.551 0.007 1 1411 152 152 ILE HB H 2.255 0.019 1 1412 152 152 ILE HG12 H 2.276 0 1 1413 152 152 ILE HG13 H 1.868 0 1 1414 152 152 ILE HG2 H 0.95 0 1 1415 152 152 ILE HD1 H 0.536 0.011 1 1416 152 152 ILE C C 177.457 0 1 1417 152 152 ILE CA C 65.197 0.164 1 1418 152 152 ILE CB C 37.911 0.129 1 1419 152 152 ILE CG1 C 26.934 0 1 1420 152 152 ILE CG2 C 18.723 0 1 1421 152 152 ILE CD1 C 15.404 0.044 1 1422 152 152 ILE N N 120.987 0.051 1 1423 153 153 GLU H H 8.338 0.002 1 1424 153 153 GLU HA H 3.609 0.004 1 1425 153 153 GLU HB2 H 2.146 0.003 1 1426 153 153 GLU HB3 H 2.139 0 1 1427 153 153 GLU HG2 H 2.075 0.015 1 1428 153 153 GLU HG3 H 2.476 0.001 1 1429 153 153 GLU C C 178.637 0 1 1430 153 153 GLU CA C 59.827 0.088 1 1431 153 153 GLU CB C 30.683 0.09 1 1432 153 153 GLU CG C 37.808 0.098 1 1433 153 153 GLU N N 118.939 0.03 1 1434 154 154 LYS H H 7.36 0.002 1 1435 154 154 LYS HA H 4.163 0.005 1 1436 154 154 LYS HB2 H 2.024 0.011 1 1437 154 154 LYS HB3 H 2.021 0.002 1 1438 154 154 LYS HG2 H 1.764 0.002 1 1439 154 154 LYS HG3 H 1.625 0 1 1440 154 154 LYS HD2 H 1.75 0 1 1441 154 154 LYS HD3 H 1.73 0 1 1442 154 154 LYS HE2 H 3.026 0 1 1443 154 154 LYS HE3 H 3.035 0 1 1444 154 154 LYS C C 178.557 0 1 1445 154 154 LYS CA C 58.405 0.094 1 1446 154 154 LYS CB C 32.715 0.065 1 1447 154 154 LYS CG C 25.468 0.119 1 1448 154 154 LYS CD C 28.93 0.096 1 1449 154 154 LYS CE C 42.21 0.059 1 1450 154 154 LYS N N 114.59 0.021 1 1451 155 155 VAL H H 7.802 0.004 1 1452 155 155 VAL HA H 4.848 0.006 1 1453 155 155 VAL HB H 2.583 0.006 1 1454 155 155 VAL HG1 H 0.966 0.002 1 1455 155 155 VAL HG2 H 1.127 0 1 1456 155 155 VAL C C 176.281 0 1 1457 155 155 VAL CA C 60.468 0.041 1 1458 155 155 VAL CB C 32.103 0.036 1 1459 155 155 VAL CG1 C 21.388 0.021 1 1460 155 155 VAL CG2 C 19.514 0 1 1461 155 155 VAL N N 109.767 0.042 1 1462 156 156 GLY H H 7.696 0.005 1 1463 156 156 GLY HA2 H 4.558 0.007 1 1464 156 156 GLY HA3 H 3.647 0.011 1 1465 156 156 GLY C C 171.735 0 1 1466 156 156 GLY CA C 44.402 0.107 1 1467 156 156 GLY N N 107.905 0.081 1 1468 157 157 SER H H 8.318 0.002 1 1469 157 157 SER HB2 H 4.109 0.009 1 1470 157 157 SER C C 175.009 0 1 1471 157 157 SER CA C 57.917 0.059 1 1472 157 157 SER CB C 66.386 0.058 1 1473 157 157 SER N N 109.951 0.039 1 1474 158 158 ARG H H 8.943 0.003 1 1475 158 158 ARG HA H 4.165 0.006 1 1476 158 158 ARG HB2 H 1.916 0 1 1477 158 158 ARG HB3 H 1.726 0 1 1478 158 158 ARG HG2 H 1.797 0 1 1479 158 158 ARG HG3 H 1.755 0 1 1480 158 158 ARG HD2 H 3.242 0.007 1 1481 158 158 ARG HD3 H 3.257 0.001 1 1482 158 158 ARG C C 177.744 0 1 1483 158 158 ARG CA C 59.787 0.065 1 1484 158 158 ARG CB C 30.089 0.32 1 1485 158 158 ARG CG C 27.106 0.077 1 1486 158 158 ARG CD C 43.056 0 1 1487 158 158 ARG N N 120.868 0.053 1 1488 159 159 GLY H H 8.42 0.003 1 1489 159 159 GLY HA2 H 4.184 0.01 1 1490 159 159 GLY HA3 H 3.935 0 1 1491 159 159 GLY C C 175.665 0 1 1492 159 159 GLY CA C 45.453 0.121 1 1493 159 159 GLY N N 103.142 0.029 1 1494 160 160 GLY H H 7.899 0.002 1 1495 160 160 GLY HA2 H 4.285 0 1 1496 160 160 GLY HA3 H 3.853 0 1 1497 160 160 GLY C C 174.12 0 1 1498 160 160 GLY CA C 44.878 0.054 1 1499 160 160 GLY N N 109.656 0.028 1 1500 161 161 SER H H 7.621 0.003 1 1501 161 161 SER HA H 4.634 0.013 1 1502 161 161 SER HB2 H 3.97 0.009 1 1503 161 161 SER HB3 H 3.949 0 1 1504 161 161 SER C C 175.744 0 1 1505 161 161 SER CA C 59.21 0.008 1 1506 161 161 SER CB C 63.247 0.07 1 1507 161 161 SER N N 114.492 0.041 1 1508 162 162 THR H H 8.639 0.003 1 1509 162 162 THR HA H 5.255 0.009 1 1510 162 162 THR HB H 4.566 0.001 1 1511 162 162 THR HG2 H 1.277 0 1 1512 162 162 THR C C 176.28 0 1 1513 162 162 THR CA C 59.267 0.056 1 1514 162 162 THR CB C 70.951 0.023 1 1515 162 162 THR CG2 C 22.351 0 1 1516 162 162 THR N N 112.727 0.018 1 1517 163 163 ALA H H 9.381 0.002 1 1518 163 163 ALA HA H 4.229 0 1 1519 163 163 ALA HB H 1.577 0.012 1 1520 163 163 ALA C C 177.826 0 1 1521 163 163 ALA CA C 53.752 0 1 1522 163 163 ALA CB C 19.691 0.103 1 1523 163 163 ALA N N 125.066 0.051 1 1524 164 164 LYS H H 7.35 0.001 1 1525 164 164 LYS HB2 H 1.399 0 1 1526 164 164 LYS HD2 H 1.748 0 1 1527 164 164 LYS HE2 H 3.014 0 1 1528 164 164 LYS CA C 52.47 0 1 1529 164 164 LYS CB C 36.975 0.071 1 1530 164 164 LYS N N 112.774 0.024 1 1531 165 165 PRO HA H 4.331 0.002 1 1532 165 165 PRO HB2 H 2.048 0 1 1533 165 165 PRO C C 177.553 0 1 1534 165 165 PRO CA C 63.371 0.021 1 1535 165 165 PRO CB C 32.451 0.171 1 1536 165 165 PRO CG C 28.306 0 1 1537 166 166 VAL H H 9.313 0.004 1 1538 166 166 VAL HA H 4.764 0 1 1539 166 166 VAL HB H 2.372 0.003 1 1540 166 166 VAL HG1 H 0.645 0.006 1 1541 166 166 VAL HG2 H 1.195 0.008 1 1542 166 166 VAL C C 174.618 0 1 1543 166 166 VAL CA C 62.29 0.116 1 1544 166 166 VAL CB C 32.962 0.068 1 1545 166 166 VAL CG1 C 23.621 0 1 1546 166 166 VAL CG2 C 21.39 0.019 1 1547 166 166 VAL N N 131.303 0.027 1 1548 167 167 VAL H H 8.602 0.009 1 1549 167 167 VAL HA H 4.4 0 1 1550 167 167 VAL HB H 1.881 0 1 1551 167 167 VAL HG1 H 0.656 0 1 1552 167 167 VAL HG2 H 0.609 0.001 1 1553 167 167 VAL C C 174.512 0 1 1554 167 167 VAL CA C 61.219 0.067 1 1555 167 167 VAL CB C 36.218 0.107 1 1556 167 167 VAL CG1 C 22.043 0 1 1557 167 167 VAL CG2 C 20.103 0.021 1 1558 167 167 VAL N N 127.089 0.073 1 1559 168 168 ILE H H 8.567 0.003 1 1560 168 168 ILE HA H 4.255 0.012 1 1561 168 168 ILE HB H 1.756 0 1 1562 168 168 ILE HG12 H 1.239 0 1 1563 168 168 ILE HG13 H 0.186 0 1 1564 168 168 ILE HG2 H 0.308 0.005 1 1565 168 168 ILE HD1 H -0.037 0.002 1 1566 168 168 ILE C C 173.582 0 1 1567 168 168 ILE CA C 60.657 0.056 1 1568 168 168 ILE CB C 36.518 0.163 1 1569 168 168 ILE CG1 C 26.884 0.095 1 1570 168 168 ILE CG2 C 17.994 0.094 1 1571 168 168 ILE CD1 C 13.615 0.047 1 1572 168 168 ILE N N 126.709 0.069 1 1573 169 169 ALA H H 8.783 0.005 1 1574 169 169 ALA HA H 4.059 0.002 1 1575 169 169 ALA HB H 1.38 0 1 1576 169 169 ALA C C 178.516 0 1 1577 169 169 ALA CA C 54.283 0.125 1 1578 169 169 ALA CB C 19.41 0.061 1 1579 169 169 ALA N N 135.162 0.093 1 1580 170 170 ASP H H 8.292 0.002 1 1581 170 170 ASP HA H 4.917 0.004 1 1582 170 170 ASP HB2 H 2.985 0 1 1583 170 170 ASP HB3 H 2.845 0 1 1584 170 170 ASP C C 173.248 0 1 1585 170 170 ASP CA C 52.896 0.141 1 1586 170 170 ASP CB C 43.947 0.015 1 1587 170 170 ASP N N 112.11 0.026 1 1588 171 171 CYS H H 8.852 0.002 1 1589 171 171 CYS HA H 4.711 0.011 1 1590 171 171 CYS HB2 H 3.355 0.011 1 1591 171 171 CYS HB3 H 3.173 0.022 1 1592 171 171 CYS C C 172.468 0 1 1593 171 171 CYS CA C 55.691 0.189 1 1594 171 171 CYS CB C 31.461 0.196 1 1595 171 171 CYS N N 115.612 0.046 1 1596 172 172 GLY H H 6.744 0.005 1 1597 172 172 GLY HA2 H 3.981 0.019 1 1598 172 172 GLY HA3 H 3.586 0 1 1599 172 172 GLY C C 169.916 0 1 1600 172 172 GLY CA C 45.435 0.136 1 1601 172 172 GLY N N 103.438 0.036 1 1602 173 173 GLN H H 9.065 0.003 1 1603 173 173 GLN HA H 5.096 0.001 1 1604 173 173 GLN HB2 H 1.953 0.026 1 1605 173 173 GLN HB3 H 1.737 0 1 1606 173 173 GLN HG2 H 2.615 0.015 1 1607 173 173 GLN HG3 H 2.6 0 1 1608 173 173 GLN C C 175.042 0.111 1 1609 173 173 GLN CA C 54.71 0.157 1 1610 173 173 GLN CB C 30.818 0.215 1 1611 173 173 GLN CG C 32.874 0.201 1 1612 173 173 GLN N N 120.735 0.05 1 1613 174 174 LEU H H 8.916 0.004 1 1614 174 174 LEU HA H 4.67 0 1 1615 174 174 LEU HB2 H 1.659 0.014 1 1616 174 174 LEU HB3 H 1.58 0 1 1617 174 174 LEU HD1 H 0.839 0 1 1618 174 174 LEU HD2 H 0.787 0 1 1619 174 174 LEU C C 176.278 0 1 1620 174 174 LEU CA C 55.088 0.121 1 1621 174 174 LEU CB C 43.825 0.039 1 1622 174 174 LEU CG C 26.813 0 1 1623 174 174 LEU CD1 C 23.33 0 1 1624 174 174 LEU CD2 C 23.26 0 1 1625 174 174 LEU N N 126.833 0.045 1 1626 175 175 SER H H 8.202 0.002 1 1627 175 175 SER HA H 4.346 0.002 1 1628 175 175 SER HB2 H 3.947 0 1 1629 175 175 SER CA C 60.417 0.05 1 1630 175 175 SER CB C 64.566 0.093 1 1631 175 175 SER N N 121.306 0.034 1 stop_ save_