data_25387 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone and side-chain 1H, 15N, 13C assignment and secondary structure of BPSL1445 from Burkholderia pseudomallei ; _BMRB_accession_number 25387 _BMRB_flat_file_name bmr25387.str _Entry_type original _Submission_date 2014-12-10 _Accession_date 2014-12-10 _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 Musco Giovanna . . 2 Bolognesi Martino . . 3 Berardi Andrea . . 4 Gaudesi Davide . . 5 Gourlay Louise J. . 6 Quilici Giacomo . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 849 "13C chemical shifts" 663 "15N chemical shifts" 168 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-02-18 update BMRB 'update entry citation' 2015-06-04 original author 'original release' stop_ _Original_release_date 2015-06-04 save_ ############################# # Citation for this entry # ############################# save_citation_BPSL1445 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone and side-chain 1H, 15N, 13C assignment and secondary structure of BPSL1445 from Burkholderia pseudomallei ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25893672 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Quilici Giacomo . . 2 Berardi Andrea . . 3 Gaudesi Davide . . 4 Gourlay Louise J. . 5 Bolognesi Martino . . 6 Musco Giovanna . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 9 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 347 _Page_last 350 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name bpsl1445 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity entity_2 $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 BPSL1445 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 163 _Mol_residue_sequence ; GSATNASKRQAIDASVDATL SRLYSTVRGSRELVAKSRGV LVFPDVIQAGLIIGGQTGNG ALRVGGATVGYYNTSSLSVG LQAGAQSKAIVFLFMTQDAL DKFRNSDGWAAGADASVALV KMGANGAIDTTTATAPVEVI VLTNAGLMGDVSISGTKVTK LKI ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 ALA 4 THR 5 ASN 6 ALA 7 SER 8 LYS 9 ARG 10 GLN 11 ALA 12 ILE 13 ASP 14 ALA 15 SER 16 VAL 17 ASP 18 ALA 19 THR 20 LEU 21 SER 22 ARG 23 LEU 24 TYR 25 SER 26 THR 27 VAL 28 ARG 29 GLY 30 SER 31 ARG 32 GLU 33 LEU 34 VAL 35 ALA 36 LYS 37 SER 38 ARG 39 GLY 40 VAL 41 LEU 42 VAL 43 PHE 44 PRO 45 ASP 46 VAL 47 ILE 48 GLN 49 ALA 50 GLY 51 LEU 52 ILE 53 ILE 54 GLY 55 GLY 56 GLN 57 THR 58 GLY 59 ASN 60 GLY 61 ALA 62 LEU 63 ARG 64 VAL 65 GLY 66 GLY 67 ALA 68 THR 69 VAL 70 GLY 71 TYR 72 TYR 73 ASN 74 THR 75 SER 76 SER 77 LEU 78 SER 79 VAL 80 GLY 81 LEU 82 GLN 83 ALA 84 GLY 85 ALA 86 GLN 87 SER 88 LYS 89 ALA 90 ILE 91 VAL 92 PHE 93 LEU 94 PHE 95 MET 96 THR 97 GLN 98 ASP 99 ALA 100 LEU 101 ASP 102 LYS 103 PHE 104 ARG 105 ASN 106 SER 107 ASP 108 GLY 109 TRP 110 ALA 111 ALA 112 GLY 113 ALA 114 ASP 115 ALA 116 SER 117 VAL 118 ALA 119 LEU 120 VAL 121 LYS 122 MET 123 GLY 124 ALA 125 ASN 126 GLY 127 ALA 128 ILE 129 ASP 130 THR 131 THR 132 THR 133 ALA 134 THR 135 ALA 136 PRO 137 VAL 138 GLU 139 VAL 140 ILE 141 VAL 142 LEU 143 THR 144 ASN 145 ALA 146 GLY 147 LEU 148 MET 149 GLY 150 ASP 151 VAL 152 SER 153 ILE 154 SER 155 GLY 156 THR 157 LYS 158 VAL 159 THR 160 LYS 161 LEU 162 LYS 163 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity b-proteobacteria 28450 Bacteria . Bulkholderia Pseudomallei 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 . pGEX-4T-1 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 0.7 mM 'natural abundance' $entity 0.7 mM '[U-98% 15N]' $entity 0.7 mM '[U-98% 13C; U-98% 15N]' 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 0.7 mM 'natural abundance' $entity 0.7 mM '[U-98% 15N]' $entity 0.7 mM '[U-98% 13C; U-98% 15N]' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CCPNMR _Saveframe_category software _Name CCPNMR _Version 2.1 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 6.3 . pH pressure 1 . atm temperature 295 . 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-1H TOCSY' '2D 1H-1H NOESY' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D C(CO)NH' '3D H(CCO)NH' '3D HNCO' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 SER HA H 4.512 0.002 1 2 2 2 SER HB2 H 3.904 0.002 1 3 2 2 SER HB3 H 3.904 0.002 1 4 2 2 SER C C 174.759 0.000 1 5 2 2 SER CA C 58.576 0.102 1 6 2 2 SER CB C 63.870 0.050 1 7 3 3 ALA H H 8.663 0.004 1 8 3 3 ALA HA H 4.448 0.006 1 9 3 3 ALA HB H 1.431 0.003 1 10 3 3 ALA C C 178.472 0.000 1 11 3 3 ALA CA C 53.050 0.048 1 12 3 3 ALA CB C 19.294 0.053 1 13 3 3 ALA N N 127.466 0.018 1 14 4 4 THR H H 8.188 0.002 1 15 4 4 THR HA H 4.294 0.001 1 16 4 4 THR HB H 4.350 0.002 1 17 4 4 THR HG2 H 1.262 0.005 1 18 4 4 THR C C 175.634 0.000 1 19 4 4 THR CA C 62.221 0.075 1 20 4 4 THR CB C 70.148 0.132 1 21 4 4 THR CG2 C 21.822 0.116 1 22 4 4 THR N N 113.639 0.031 1 23 5 5 ASN H H 8.812 0.003 1 24 5 5 ASN HA H 4.570 0.006 1 25 5 5 ASN HB2 H 2.810 0.004 2 26 5 5 ASN HB3 H 3.168 0.007 2 27 5 5 ASN HD21 H 7.080 0.000 1 28 5 5 ASN HD22 H 7.741 0.000 1 29 5 5 ASN C C 176.430 0.000 1 30 5 5 ASN CA C 54.814 0.088 1 31 5 5 ASN CB C 37.432 0.039 1 32 5 5 ASN N N 122.550 0.031 1 33 5 5 ASN ND2 N 112.585 0.001 1 34 6 6 ALA H H 8.348 0.002 1 35 6 6 ALA HA H 3.992 0.003 1 36 6 6 ALA HB H 1.463 0.005 1 37 6 6 ALA C C 180.052 0.000 1 38 6 6 ALA CA C 55.419 0.056 1 39 6 6 ALA CB C 18.332 0.081 1 40 6 6 ALA N N 123.902 0.037 1 41 7 7 SER H H 8.227 0.002 1 42 7 7 SER HA H 4.257 0.002 1 43 7 7 SER HB2 H 3.980 0.018 2 44 7 7 SER HB3 H 3.997 0.006 2 45 7 7 SER C C 177.095 0.000 1 46 7 7 SER CA C 61.243 0.049 1 47 7 7 SER CB C 62.644 0.047 1 48 7 7 SER N N 115.247 0.056 1 49 8 8 LYS H H 7.938 0.003 1 50 8 8 LYS HA H 4.066 0.005 1 51 8 8 LYS HB2 H 1.714 0.004 2 52 8 8 LYS HB3 H 1.876 0.005 2 53 8 8 LYS HG2 H 1.586 0.005 2 54 8 8 LYS HG3 H 1.331 0.005 2 55 8 8 LYS HD2 H 1.676 0.004 1 56 8 8 LYS HD3 H 1.676 0.004 1 57 8 8 LYS HE2 H 2.908 0.004 1 58 8 8 LYS HE3 H 2.908 0.004 1 59 8 8 LYS C C 178.670 0.000 1 60 8 8 LYS CA C 59.702 0.086 1 61 8 8 LYS CB C 32.845 0.066 1 62 8 8 LYS CG C 25.660 0.051 1 63 8 8 LYS CD C 29.926 0.040 1 64 8 8 LYS CE C 41.947 0.125 1 65 8 8 LYS N N 125.027 0.046 1 66 9 9 ARG H H 8.019 0.003 1 67 9 9 ARG HA H 3.311 0.009 1 68 9 9 ARG HB2 H 1.858 0.001 2 69 9 9 ARG HB3 H 1.727 0.006 2 70 9 9 ARG HG2 H 1.612 0.002 2 71 9 9 ARG HG3 H 0.298 0.007 2 72 9 9 ARG HD2 H 3.234 0.005 2 73 9 9 ARG HD3 H 2.992 0.011 2 74 9 9 ARG HE H 7.787 0.000 1 75 9 9 ARG C C 177.682 0.000 1 76 9 9 ARG CA C 60.503 0.052 1 77 9 9 ARG CB C 30.982 0.165 1 78 9 9 ARG CG C 28.267 0.137 1 79 9 9 ARG CD C 43.969 0.099 1 80 9 9 ARG N N 118.838 0.050 1 81 9 9 ARG NE N 85.631 0.000 1 82 10 10 GLN H H 7.864 0.004 1 83 10 10 GLN HA H 4.211 0.004 1 84 10 10 GLN HB2 H 2.161 0.004 2 85 10 10 GLN HB3 H 2.163 0.008 2 86 10 10 GLN HG2 H 2.463 0.005 2 87 10 10 GLN HG3 H 2.583 0.006 2 88 10 10 GLN HE21 H 6.854 0.000 1 89 10 10 GLN HE22 H 7.471 0.000 1 90 10 10 GLN C C 179.173 0.000 1 91 10 10 GLN CA C 59.001 0.071 1 92 10 10 GLN CB C 28.421 0.053 1 93 10 10 GLN CG C 34.013 0.080 1 94 10 10 GLN N N 116.833 0.045 1 95 10 10 GLN NE2 N 111.973 0.002 1 96 11 11 ALA H H 7.948 0.003 1 97 11 11 ALA HA H 4.234 0.002 1 98 11 11 ALA HB H 1.551 0.003 1 99 11 11 ALA C C 181.432 0.000 1 100 11 11 ALA CA C 55.085 0.066 1 101 11 11 ALA CB C 18.312 0.089 1 102 11 11 ALA N N 122.831 0.027 1 103 12 12 ILE H H 8.151 0.002 1 104 12 12 ILE HA H 3.765 0.003 1 105 12 12 ILE HB H 2.021 0.005 1 106 12 12 ILE HG12 H 0.930 0.003 2 107 12 12 ILE HG13 H 0.929 0.003 2 108 12 12 ILE HG2 H 1.003 0.005 1 109 12 12 ILE HD1 H 0.855 0.007 1 110 12 12 ILE C C 178.397 0.000 1 111 12 12 ILE CA C 65.922 0.062 1 112 12 12 ILE CB C 38.408 0.058 1 113 12 12 ILE CG1 C 29.568 0.016 1 114 12 12 ILE CG2 C 17.344 0.061 1 115 12 12 ILE CD1 C 15.316 0.093 1 116 12 12 ILE N N 120.919 0.047 1 117 13 13 ASP H H 8.997 0.002 1 118 13 13 ASP HA H 4.358 0.004 1 119 13 13 ASP HB2 H 2.750 0.004 1 120 13 13 ASP HB3 H 2.750 0.004 1 121 13 13 ASP C C 178.184 0.000 1 122 13 13 ASP CA C 59.245 0.047 1 123 13 13 ASP CB C 40.415 0.076 1 124 13 13 ASP N N 120.752 0.028 1 125 14 14 ALA H H 8.358 0.002 1 126 14 14 ALA HA H 4.292 0.006 1 127 14 14 ALA HB H 1.567 0.003 1 128 14 14 ALA C C 181.425 0.000 1 129 14 14 ALA CA C 55.280 0.077 1 130 14 14 ALA CB C 18.084 0.064 1 131 14 14 ALA N N 121.574 0.031 1 132 15 15 SER H H 7.970 0.002 1 133 15 15 SER HA H 4.467 0.001 1 134 15 15 SER HB2 H 4.132 0.000 2 135 15 15 SER HB3 H 4.092 0.033 2 136 15 15 SER C C 178.080 0.000 1 137 15 15 SER CA C 61.747 0.066 1 138 15 15 SER CB C 63.034 0.068 1 139 15 15 SER N N 116.961 0.034 1 140 16 16 VAL H H 9.173 0.002 1 141 16 16 VAL HA H 3.466 0.006 1 142 16 16 VAL HB H 2.454 0.005 1 143 16 16 VAL HG1 H 1.100 0.005 2 144 16 16 VAL HG2 H 0.825 0.005 2 145 16 16 VAL C C 177.346 0.000 1 146 16 16 VAL CA C 67.899 0.052 1 147 16 16 VAL CB C 31.564 0.044 1 148 16 16 VAL CG1 C 23.835 0.029 2 149 16 16 VAL CG2 C 20.031 0.032 2 150 16 16 VAL N N 128.749 0.028 1 151 17 17 ASP H H 8.536 0.003 1 152 17 17 ASP HA H 4.342 0.008 1 153 17 17 ASP HB2 H 2.936 0.002 2 154 17 17 ASP HB3 H 2.739 0.006 2 155 17 17 ASP C C 179.327 0.000 1 156 17 17 ASP CA C 58.187 0.048 1 157 17 17 ASP CB C 39.990 0.100 1 158 17 17 ASP N N 121.977 0.033 1 159 18 18 ALA H H 7.881 0.004 1 160 18 18 ALA HA H 4.180 0.001 1 161 18 18 ALA HB H 1.567 0.004 1 162 18 18 ALA C C 180.676 0.000 1 163 18 18 ALA CA C 55.067 0.068 1 164 18 18 ALA CB C 18.166 0.083 1 165 18 18 ALA N N 122.110 0.036 1 166 19 19 THR H H 8.156 0.002 1 167 19 19 THR HA H 3.790 0.007 1 168 19 19 THR HB H 4.177 0.002 1 169 19 19 THR HG2 H 0.867 0.004 1 170 19 19 THR C C 175.577 0.000 1 171 19 19 THR CA C 67.594 0.057 1 172 19 19 THR CB C 68.508 0.100 1 173 19 19 THR CG2 C 20.637 0.078 1 174 19 19 THR N N 118.670 0.027 1 175 20 20 LEU H H 8.300 0.002 1 176 20 20 LEU HA H 3.532 0.005 1 177 20 20 LEU HB2 H 1.767 0.013 2 178 20 20 LEU HB3 H 1.021 0.011 2 179 20 20 LEU HG H 1.574 0.002 1 180 20 20 LEU HD1 H 0.811 0.007 2 181 20 20 LEU HD2 H 0.648 0.005 2 182 20 20 LEU C C 176.545 0.000 1 183 20 20 LEU CA C 57.955 0.041 1 184 20 20 LEU CB C 40.490 0.061 1 185 20 20 LEU CG C 27.201 0.043 1 186 20 20 LEU CD1 C 25.403 0.090 2 187 20 20 LEU CD2 C 21.069 0.038 2 188 20 20 LEU N N 122.106 0.040 1 189 21 21 SER H H 7.736 0.003 1 190 21 21 SER HA H 4.017 0.002 1 191 21 21 SER HB2 H 3.924 0.004 1 192 21 21 SER HB3 H 3.924 0.004 1 193 21 21 SER C C 177.559 0.000 1 194 21 21 SER CA C 62.035 0.049 1 195 21 21 SER CB C 62.663 0.084 1 196 21 21 SER N N 111.526 0.041 1 197 22 22 ARG H H 7.776 0.002 1 198 22 22 ARG HA H 4.109 0.005 1 199 22 22 ARG HB2 H 1.940 0.002 2 200 22 22 ARG HB3 H 1.884 0.045 2 201 22 22 ARG HG2 H 1.627 0.005 2 202 22 22 ARG HG3 H 1.371 0.007 2 203 22 22 ARG HD2 H 3.362 0.004 2 204 22 22 ARG HD3 H 3.096 0.003 2 205 22 22 ARG HE H 7.482 0.000 1 206 22 22 ARG C C 179.108 0.000 1 207 22 22 ARG CA C 59.341 0.038 1 208 22 22 ARG CB C 30.424 0.102 1 209 22 22 ARG CG C 27.919 0.047 1 210 22 22 ARG CD C 43.826 0.068 1 211 22 22 ARG N N 122.757 0.025 1 212 22 22 ARG NE N 84.294 0.000 1 213 23 23 LEU H H 8.570 0.003 1 214 23 23 LEU HA H 3.795 0.005 1 215 23 23 LEU HB2 H 2.116 0.006 2 216 23 23 LEU HB3 H 1.227 0.007 2 217 23 23 LEU HG H 0.777 0.010 1 218 23 23 LEU HD1 H 0.889 0.009 2 219 23 23 LEU HD2 H 1.962 0.007 2 220 23 23 LEU C C 177.590 0.000 1 221 23 23 LEU CA C 58.895 0.034 1 222 23 23 LEU CB C 41.424 0.032 1 223 23 23 LEU CG C 26.446 0.074 1 224 23 23 LEU CD1 C 23.876 0.103 2 225 23 23 LEU CD2 C 25.965 0.091 2 226 23 23 LEU N N 125.027 0.036 1 227 24 24 TYR H H 8.314 0.002 1 228 24 24 TYR HA H 4.887 0.004 1 229 24 24 TYR HB2 H 3.308 0.007 2 230 24 24 TYR HB3 H 3.137 0.005 2 231 24 24 TYR HD1 H 7.069 0.008 3 232 24 24 TYR HD2 H 7.069 0.008 3 233 24 24 TYR HE1 H 6.636 0.017 3 234 24 24 TYR HE2 H 6.636 0.017 3 235 24 24 TYR C C 179.327 0.000 1 236 24 24 TYR CA C 56.704 0.124 1 237 24 24 TYR CB C 36.914 0.088 1 238 24 24 TYR CD1 C 131.700 0.000 3 239 24 24 TYR CD2 C 131.700 0.000 3 240 24 24 TYR CE1 C 117.840 0.011 3 241 24 24 TYR CE2 C 117.840 0.011 3 242 24 24 TYR N N 116.671 0.063 1 243 25 25 SER H H 7.835 0.003 1 244 25 25 SER HA H 4.416 0.005 1 245 25 25 SER HB2 H 4.068 0.011 2 246 25 25 SER HB3 H 4.017 0.017 2 247 25 25 SER C C 175.714 0.000 1 248 25 25 SER CA C 60.280 0.094 1 249 25 25 SER CB C 63.898 0.072 1 250 25 25 SER N N 110.473 0.026 1 251 26 26 THR H H 7.916 0.003 1 252 26 26 THR HA H 4.508 0.002 1 253 26 26 THR HB H 4.175 0.004 1 254 26 26 THR HG2 H 1.263 0.003 1 255 26 26 THR C C 174.580 0.000 1 256 26 26 THR CA C 63.916 0.072 1 257 26 26 THR CB C 70.930 0.048 1 258 26 26 THR CG2 C 21.221 0.139 1 259 26 26 THR N N 113.107 0.030 1 260 27 27 VAL H H 8.402 0.002 1 261 27 27 VAL HA H 4.424 0.006 1 262 27 27 VAL HB H 2.187 0.003 1 263 27 27 VAL HG1 H 0.909 0.006 2 264 27 27 VAL HG2 H 0.909 0.006 2 265 27 27 VAL C C 175.719 0.000 1 266 27 27 VAL CA C 61.207 0.053 1 267 27 27 VAL CB C 32.103 0.018 1 268 27 27 VAL CG1 C 22.611 0.047 2 269 27 27 VAL CG2 C 21.084 0.087 2 270 27 27 VAL N N 124.058 0.041 1 271 28 28 ARG H H 9.250 0.004 1 272 28 28 ARG HA H 4.314 0.002 1 273 28 28 ARG HB2 H 1.991 0.026 2 274 28 28 ARG HB3 H 1.980 0.022 2 275 28 28 ARG HG2 H 1.879 0.005 2 276 28 28 ARG HG3 H 1.759 0.004 2 277 28 28 ARG HD2 H 3.298 0.002 2 278 28 28 ARG HD3 H 3.298 0.002 2 279 28 28 ARG C C 176.608 0.000 1 280 28 28 ARG CA C 58.960 0.076 1 281 28 28 ARG CB C 29.740 0.113 1 282 28 28 ARG CG C 27.736 0.083 1 283 28 28 ARG CD C 43.662 0.107 1 284 28 28 ARG N N 132.811 0.042 1 285 29 29 GLY H H 9.056 0.002 1 286 29 29 GLY HA2 H 4.566 0.004 2 287 29 29 GLY HA3 H 4.010 0.007 2 288 29 29 GLY C C 175.871 0.000 1 289 29 29 GLY CA C 45.204 0.076 1 290 29 29 GLY N N 113.713 0.035 1 291 30 30 SER H H 8.521 0.003 1 292 30 30 SER HA H 3.878 0.002 1 293 30 30 SER HB2 H 3.743 0.011 1 294 30 30 SER HB3 H 3.743 0.011 1 295 30 30 SER HG H 5.350 0.000 1 296 30 30 SER C C 176.458 0.000 1 297 30 30 SER CA C 62.476 0.077 1 298 30 30 SER CB C 63.096 0.000 1 299 30 30 SER N N 117.944 0.044 1 300 31 31 ARG H H 9.034 0.004 1 301 31 31 ARG HA H 3.840 0.002 1 302 31 31 ARG HB2 H 2.867 0.004 2 303 31 31 ARG HB3 H 2.676 0.003 2 304 31 31 ARG C C 177.496 0.000 1 305 31 31 ARG CA C 60.506 0.077 1 306 31 31 ARG CB C 28.638 0.121 1 307 31 31 ARG N N 125.392 0.034 1 308 32 32 GLU H H 8.815 0.004 1 309 32 32 GLU HA H 3.855 0.001 1 310 32 32 GLU HB2 H 2.126 0.005 2 311 32 32 GLU HB3 H 1.879 0.003 2 312 32 32 GLU HG2 H 2.249 0.009 2 313 32 32 GLU HG3 H 2.430 0.006 2 314 32 32 GLU C C 178.544 0.000 1 315 32 32 GLU CA C 59.989 0.083 1 316 32 32 GLU CB C 28.938 0.076 1 317 32 32 GLU CG C 37.467 0.030 1 318 32 32 GLU N N 120.363 0.031 1 319 33 33 LEU H H 7.362 0.003 1 320 33 33 LEU HA H 4.107 0.004 1 321 33 33 LEU HB2 H 1.509 0.007 2 322 33 33 LEU HB3 H 1.775 0.008 2 323 33 33 LEU HG H 0.812 0.005 1 324 33 33 LEU HD1 H 0.901 0.005 2 325 33 33 LEU HD2 H 0.901 0.004 2 326 33 33 LEU C C 178.520 0.000 1 327 33 33 LEU CA C 57.920 0.042 1 328 33 33 LEU CB C 42.163 0.052 1 329 33 33 LEU CG C 26.955 0.031 1 330 33 33 LEU CD1 C 23.440 0.007 2 331 33 33 LEU CD2 C 23.436 0.085 2 332 33 33 LEU N N 120.525 0.038 1 333 34 34 VAL H H 8.328 0.002 1 334 34 34 VAL HA H 3.414 0.007 1 335 34 34 VAL HB H 2.178 0.003 1 336 34 34 VAL HG1 H 0.950 0.004 2 337 34 34 VAL HG2 H 1.100 0.005 2 338 34 34 VAL C C 180.000 0.000 1 339 34 34 VAL CA C 66.842 0.029 1 340 34 34 VAL CB C 31.388 0.066 1 341 34 34 VAL CG1 C 21.451 0.083 2 342 34 34 VAL CG2 C 23.104 0.057 2 343 34 34 VAL N N 118.264 0.041 1 344 35 35 ALA H H 8.150 0.002 1 345 35 35 ALA HA H 4.044 0.002 1 346 35 35 ALA HB H 1.304 0.006 1 347 35 35 ALA C C 178.678 0.000 1 348 35 35 ALA CA C 54.699 0.075 1 349 35 35 ALA CB C 18.078 0.094 1 350 35 35 ALA N N 122.909 0.021 1 351 36 36 LYS H H 7.307 0.003 1 352 36 36 LYS HA H 4.326 0.002 1 353 36 36 LYS HB2 H 1.943 0.003 1 354 36 36 LYS HB3 H 1.943 0.003 1 355 36 36 LYS HG2 H 1.606 0.004 2 356 36 36 LYS HG3 H 1.605 0.004 2 357 36 36 LYS HD2 H 1.656 0.000 1 358 36 36 LYS HD3 H 1.656 0.000 1 359 36 36 LYS HE2 H 2.947 0.002 1 360 36 36 LYS HE3 H 2.947 0.002 1 361 36 36 LYS C C 176.973 0.000 1 362 36 36 LYS CA C 56.694 0.096 1 363 36 36 LYS CB C 33.226 0.087 1 364 36 36 LYS CG C 25.013 0.053 1 365 36 36 LYS CD C 29.615 0.000 1 366 36 36 LYS CE C 41.992 0.141 1 367 36 36 LYS N N 116.198 0.035 1 368 37 37 SER H H 7.697 0.003 1 369 37 37 SER HA H 4.443 0.004 1 370 37 37 SER HB2 H 3.946 0.000 1 371 37 37 SER HB3 H 3.946 0.000 1 372 37 37 SER HG H 5.105 0.000 1 373 37 37 SER C C 173.737 0.000 1 374 37 37 SER CA C 59.616 0.060 1 375 37 37 SER CB C 65.237 0.046 1 376 37 37 SER N N 117.917 0.041 1 377 38 38 ARG H H 9.018 0.003 1 378 38 38 ARG HA H 4.444 0.003 1 379 38 38 ARG HB2 H 1.909 0.004 2 380 38 38 ARG HB3 H 1.615 0.010 2 381 38 38 ARG HG2 H 1.637 0.013 2 382 38 38 ARG HG3 H 1.413 0.003 2 383 38 38 ARG HD2 H 3.203 0.002 1 384 38 38 ARG HD3 H 3.203 0.002 1 385 38 38 ARG C C 177.874 0.000 1 386 38 38 ARG CA C 55.592 0.028 1 387 38 38 ARG CB C 29.992 0.057 1 388 38 38 ARG CG C 26.521 0.023 1 389 38 38 ARG CD C 41.726 0.074 1 390 38 38 ARG N N 118.764 0.029 1 391 39 39 GLY H H 7.833 0.003 1 392 39 39 GLY HA2 H 3.630 0.002 2 393 39 39 GLY HA3 H 4.846 0.010 2 394 39 39 GLY C C 170.837 0.000 1 395 39 39 GLY CA C 46.082 0.021 1 396 39 39 GLY N N 105.032 0.025 1 397 40 40 VAL H H 8.997 0.006 1 398 40 40 VAL HA H 5.127 0.010 1 399 40 40 VAL HB H 1.951 0.004 1 400 40 40 VAL HG1 H 0.838 0.001 2 401 40 40 VAL HG2 H 0.860 0.003 2 402 40 40 VAL C C 172.267 0.000 1 403 40 40 VAL CA C 60.171 0.053 1 404 40 40 VAL CB C 34.823 0.097 1 405 40 40 VAL CG1 C 21.793 0.036 2 406 40 40 VAL CG2 C 20.744 0.016 2 407 40 40 VAL N N 121.308 0.032 1 408 41 41 LEU H H 9.540 0.004 1 409 41 41 LEU HA H 5.239 0.007 1 410 41 41 LEU HB2 H 0.954 0.008 2 411 41 41 LEU HB3 H 1.943 0.004 2 412 41 41 LEU HG H 1.139 0.007 1 413 41 41 LEU HD1 H 0.169 0.009 2 414 41 41 LEU HD2 H 0.215 0.010 2 415 41 41 LEU C C 173.951 0.000 1 416 41 41 LEU CA C 52.962 0.054 1 417 41 41 LEU CB C 45.328 0.033 1 418 41 41 LEU CG C 26.727 0.061 1 419 41 41 LEU CD1 C 22.166 0.054 2 420 41 41 LEU CD2 C 26.775 0.033 2 421 41 41 LEU N N 132.645 0.037 1 422 42 42 VAL H H 8.438 0.003 1 423 42 42 VAL HA H 4.550 0.003 1 424 42 42 VAL HB H 2.109 0.007 1 425 42 42 VAL HG1 H 0.832 0.005 2 426 42 42 VAL HG2 H 0.893 0.005 2 427 42 42 VAL C C 173.465 0.000 1 428 42 42 VAL CA C 61.203 0.023 1 429 42 42 VAL CB C 34.414 0.045 1 430 42 42 VAL CG1 C 21.169 0.101 2 431 42 42 VAL CG2 C 21.467 0.112 2 432 42 42 VAL N N 126.572 0.034 1 433 43 43 PHE H H 9.240 0.005 1 434 43 43 PHE HA H 5.262 0.004 1 435 43 43 PHE HB2 H 3.102 0.000 2 436 43 43 PHE HB3 H 2.956 0.001 2 437 43 43 PHE HD1 H 7.198 0.005 3 438 43 43 PHE HD2 H 7.198 0.005 3 439 43 43 PHE HE1 H 7.134 0.004 3 440 43 43 PHE HE2 H 7.134 0.004 3 441 43 43 PHE HZ H 7.060 0.004 1 442 43 43 PHE CA C 55.582 0.025 1 443 43 43 PHE CB C 40.055 0.035 1 444 43 43 PHE CD1 C 132.705 0.007 3 445 43 43 PHE CD2 C 132.705 0.007 3 446 43 43 PHE CE1 C 130.475 0.000 3 447 43 43 PHE CE2 C 130.475 0.000 3 448 43 43 PHE CZ C 128.610 0.000 1 449 43 43 PHE N N 125.223 0.033 1 450 44 44 PRO HA H 4.151 0.004 1 451 44 44 PRO HB2 H 1.949 0.006 2 452 44 44 PRO HB3 H 2.333 0.007 2 453 44 44 PRO HG2 H 1.502 0.011 2 454 44 44 PRO HG3 H 2.169 0.009 2 455 44 44 PRO HD2 H 4.405 0.006 2 456 44 44 PRO HD3 H 4.022 0.003 2 457 44 44 PRO C C 175.322 0.000 1 458 44 44 PRO CA C 64.506 0.058 1 459 44 44 PRO CB C 34.448 0.074 1 460 44 44 PRO CG C 27.985 0.136 1 461 44 44 PRO CD C 51.063 0.091 1 462 45 45 ASP H H 8.749 0.004 1 463 45 45 ASP HA H 4.821 0.004 1 464 45 45 ASP HB2 H 2.548 0.000 2 465 45 45 ASP HB3 H 2.687 0.000 2 466 45 45 ASP CA C 54.137 0.051 1 467 45 45 ASP CB C 41.639 0.000 1 468 45 45 ASP N N 116.275 0.095 1 469 46 46 VAL HA H 4.304 0.002 1 470 46 46 VAL HB H 2.239 0.004 1 471 46 46 VAL HG1 H 0.868 0.010 2 472 46 46 VAL HG2 H 0.863 0.003 2 473 46 46 VAL C C 174.900 0.000 1 474 46 46 VAL CA C 62.058 0.078 1 475 46 46 VAL CB C 32.720 0.050 1 476 46 46 VAL CG1 C 22.354 0.024 2 477 46 46 VAL CG2 C 20.083 0.059 2 478 47 47 ILE H H 8.235 0.005 1 479 47 47 ILE HA H 4.394 0.005 1 480 47 47 ILE HB H 1.911 0.004 1 481 47 47 ILE HG12 H 1.250 0.013 2 482 47 47 ILE HG13 H 1.439 0.005 2 483 47 47 ILE HG2 H 0.843 0.019 1 484 47 47 ILE HD1 H 0.814 0.003 1 485 47 47 ILE C C 175.339 0.000 1 486 47 47 ILE CA C 59.909 0.079 1 487 47 47 ILE CB C 39.495 0.056 1 488 47 47 ILE CG1 C 27.213 0.057 1 489 47 47 ILE CG2 C 17.343 0.082 1 490 47 47 ILE CD1 C 12.764 0.076 1 491 47 47 ILE N N 122.903 0.047 1 492 48 48 GLN H H 8.476 0.005 1 493 48 48 GLN HA H 4.352 0.007 1 494 48 48 GLN HB2 H 2.029 0.011 2 495 48 48 GLN HB3 H 2.073 0.001 2 496 48 48 GLN HG2 H 2.349 0.003 2 497 48 48 GLN HG3 H 2.349 0.003 2 498 48 48 GLN C C 175.360 0.000 1 499 48 48 GLN CA C 56.044 0.065 1 500 48 48 GLN CB C 29.573 0.055 1 501 48 48 GLN CG C 33.767 0.049 1 502 48 48 GLN N N 125.167 0.043 1 503 49 49 ALA H H 8.473 0.002 1 504 49 49 ALA HA H 4.311 0.003 1 505 49 49 ALA HB H 1.382 0.001 1 506 49 49 ALA C C 177.815 0.000 1 507 49 49 ALA CA C 52.733 0.050 1 508 49 49 ALA CB C 19.339 0.059 1 509 49 49 ALA N N 127.091 0.027 1 510 50 50 GLY H H 8.328 0.003 1 511 50 50 GLY HA2 H 3.989 0.035 2 512 50 50 GLY HA3 H 3.930 0.024 2 513 50 50 GLY C C 174.240 0.000 1 514 50 50 GLY CA C 45.482 0.049 1 515 50 50 GLY N N 108.468 0.045 1 516 51 51 LEU H H 8.147 0.002 1 517 51 51 LEU HA H 4.351 0.003 1 518 51 51 LEU HB2 H 1.625 0.024 2 519 51 51 LEU HB3 H 1.682 0.006 2 520 51 51 LEU HG H 1.615 0.003 1 521 51 51 LEU HD1 H 0.914 0.006 2 522 51 51 LEU HD2 H 0.872 0.012 2 523 51 51 LEU C C 177.292 0.000 1 524 51 51 LEU CA C 55.528 0.071 1 525 51 51 LEU CB C 42.583 0.043 1 526 51 51 LEU CG C 27.091 0.047 1 527 51 51 LEU CD1 C 25.056 0.069 2 528 51 51 LEU CD2 C 23.458 0.066 2 529 51 51 LEU N N 122.086 0.020 1 530 52 52 ILE H H 8.011 0.003 1 531 52 52 ILE HA H 4.163 0.000 1 532 52 52 ILE HB H 1.876 0.000 1 533 52 52 ILE HG12 H 1.172 0.008 2 534 52 52 ILE HG13 H 1.494 0.004 2 535 52 52 ILE HG2 H 0.867 0.000 1 536 52 52 ILE HD1 H 0.845 0.009 1 537 52 52 ILE C C 176.364 0.000 1 538 52 52 ILE CA C 61.137 0.047 1 539 52 52 ILE CB C 38.745 0.000 1 540 52 52 ILE CG1 C 27.411 0.022 1 541 52 52 ILE CG2 C 17.589 0.000 1 542 52 52 ILE CD1 C 12.937 0.000 1 543 52 52 ILE N N 121.109 0.023 1 544 53 53 ILE H H 8.244 0.003 1 545 53 53 ILE HA H 4.160 0.002 1 546 53 53 ILE HB H 1.869 0.006 1 547 53 53 ILE HG12 H 1.180 0.006 2 548 53 53 ILE HG13 H 1.494 0.005 2 549 53 53 ILE HG2 H 0.898 0.005 1 550 53 53 ILE HD1 H 0.859 0.002 1 551 53 53 ILE C C 176.736 0.000 1 552 53 53 ILE CA C 61.247 0.093 1 553 53 53 ILE CB C 38.563 0.088 1 554 53 53 ILE CG1 C 27.425 0.045 1 555 53 53 ILE CG2 C 17.501 0.089 1 556 53 53 ILE CD1 C 12.887 0.088 1 557 53 53 ILE N N 125.887 0.029 1 558 54 54 GLY H H 8.580 0.004 1 559 54 54 GLY HA2 H 4.006 0.006 1 560 54 54 GLY HA3 H 4.006 0.006 1 561 54 54 GLY C C 174.874 0.000 1 562 54 54 GLY CA C 45.592 0.014 1 563 54 54 GLY N N 114.486 0.031 1 564 55 55 GLY H H 8.363 0.002 1 565 55 55 GLY HA2 H 4.000 0.000 1 566 55 55 GLY HA3 H 4.000 0.000 1 567 55 55 GLY C C 174.138 0.000 1 568 55 55 GLY CA C 45.583 0.017 1 569 55 55 GLY N N 109.362 0.031 1 570 56 56 GLN H H 8.428 0.003 1 571 56 56 GLN HA H 4.643 0.003 1 572 56 56 GLN HB2 H 2.217 0.005 2 573 56 56 GLN HB3 H 1.939 0.005 2 574 56 56 GLN HG2 H 2.329 0.003 1 575 56 56 GLN HG3 H 2.329 0.003 1 576 56 56 GLN HE21 H 6.696 0.000 1 577 56 56 GLN HE22 H 7.571 0.000 1 578 56 56 GLN CA C 55.196 0.053 1 579 56 56 GLN CB C 30.126 0.093 1 580 56 56 GLN CG C 33.840 0.005 1 581 56 56 GLN N N 120.096 0.024 1 582 56 56 GLN NE2 N 112.183 0.005 1 583 57 57 THR HA H 4.471 0.000 1 584 57 57 THR HB H 4.114 0.001 1 585 57 57 THR HG2 H 1.165 0.004 1 586 57 57 THR CA C 62.775 0.000 1 587 57 57 THR CB C 69.922 0.000 1 588 57 57 THR CG2 C 21.528 0.000 1 589 58 58 GLY HA2 H 3.957 0.014 2 590 58 58 GLY HA3 H 4.386 0.004 2 591 58 58 GLY C C 173.439 0.000 1 592 58 58 GLY CA C 46.334 0.095 1 593 59 59 ASN H H 8.356 0.006 1 594 59 59 ASN HA H 5.951 0.006 1 595 59 59 ASN HB2 H 3.060 0.002 2 596 59 59 ASN HB3 H 2.780 0.004 2 597 59 59 ASN HD21 H 6.926 0.000 1 598 59 59 ASN HD22 H 7.491 0.000 1 599 59 59 ASN C C 176.719 0.000 1 600 59 59 ASN CA C 52.645 0.059 1 601 59 59 ASN CB C 40.023 0.095 1 602 59 59 ASN N N 118.100 0.050 1 603 59 59 ASN ND2 N 111.283 0.000 1 604 60 60 GLY H H 9.524 0.002 1 605 60 60 GLY HA2 H 4.344 0.011 2 606 60 60 GLY HA3 H 4.092 0.000 2 607 60 60 GLY C C 172.021 0.000 1 608 60 60 GLY CA C 46.670 0.058 1 609 60 60 GLY N N 109.526 0.058 1 610 61 61 ALA H H 7.822 0.006 1 611 61 61 ALA HA H 5.271 0.005 1 612 61 61 ALA HB H 1.332 0.007 1 613 61 61 ALA C C 174.758 0.000 1 614 61 61 ALA CA C 50.998 0.034 1 615 61 61 ALA CB C 24.284 0.059 1 616 61 61 ALA N N 118.864 0.015 1 617 62 62 LEU H H 8.472 0.003 1 618 62 62 LEU HA H 5.018 0.007 1 619 62 62 LEU HB2 H 1.261 0.008 2 620 62 62 LEU HB3 H 1.849 0.009 2 621 62 62 LEU HG H 1.249 0.006 1 622 62 62 LEU HD1 H 0.478 0.008 2 623 62 62 LEU HD2 H 0.767 0.006 2 624 62 62 LEU C C 174.752 0.000 1 625 62 62 LEU CA C 53.422 0.049 1 626 62 62 LEU CB C 45.070 0.105 1 627 62 62 LEU CG C 27.784 0.010 1 628 62 62 LEU CD1 C 22.348 0.038 2 629 62 62 LEU CD2 C 26.057 0.088 2 630 62 62 LEU N N 122.623 0.042 1 631 63 63 ARG H H 9.726 0.006 1 632 63 63 ARG HA H 5.346 0.009 1 633 63 63 ARG HB2 H 1.839 0.009 2 634 63 63 ARG HB3 H 1.214 0.006 2 635 63 63 ARG HG2 H 1.229 0.003 2 636 63 63 ARG HG3 H 1.516 0.005 2 637 63 63 ARG HD2 H 2.654 0.004 2 638 63 63 ARG HD3 H 2.777 0.004 2 639 63 63 ARG HE H 6.715 0.000 1 640 63 63 ARG C C 175.524 0.000 1 641 63 63 ARG CA C 54.000 0.020 1 642 63 63 ARG CB C 31.952 0.050 1 643 63 63 ARG CG C 26.944 0.026 1 644 63 63 ARG CD C 43.036 0.059 1 645 63 63 ARG N N 128.081 0.033 1 646 63 63 ARG NE N 84.154 0.000 1 647 64 64 VAL H H 8.667 0.003 1 648 64 64 VAL HA H 4.314 0.002 1 649 64 64 VAL HB H 1.898 0.005 1 650 64 64 VAL HG1 H 0.957 0.004 2 651 64 64 VAL HG2 H 1.029 0.005 2 652 64 64 VAL C C 177.516 0.000 1 653 64 64 VAL CA C 61.958 0.065 1 654 64 64 VAL CB C 35.538 0.026 1 655 64 64 VAL CG1 C 21.936 0.036 2 656 64 64 VAL CG2 C 20.662 0.082 2 657 64 64 VAL N N 123.911 0.076 1 658 65 65 GLY H H 9.576 0.008 1 659 65 65 GLY HA2 H 3.919 0.006 1 660 65 65 GLY HA3 H 3.919 0.006 1 661 65 65 GLY C C 175.663 0.000 1 662 65 65 GLY CA C 46.889 0.019 1 663 65 65 GLY N N 120.526 0.031 1 664 66 66 GLY H H 8.710 0.003 1 665 66 66 GLY HA2 H 3.611 0.001 2 666 66 66 GLY HA3 H 4.197 0.001 2 667 66 66 GLY C C 172.768 0.000 1 668 66 66 GLY CA C 44.922 0.085 1 669 66 66 GLY N N 106.197 0.035 1 670 67 67 ALA H H 7.524 0.002 1 671 67 67 ALA HA H 4.724 0.002 1 672 67 67 ALA HB H 1.361 0.001 1 673 67 67 ALA C C 176.783 0.000 1 674 67 67 ALA CA C 50.263 0.064 1 675 67 67 ALA CB C 21.396 0.061 1 676 67 67 ALA N N 123.813 0.039 1 677 68 68 THR H H 9.147 0.004 1 678 68 68 THR HA H 4.561 0.004 1 679 68 68 THR HB H 4.147 0.005 1 680 68 68 THR HG2 H 0.835 0.004 1 681 68 68 THR C C 175.940 0.000 1 682 68 68 THR CA C 64.020 0.086 1 683 68 68 THR CB C 68.680 0.061 1 684 68 68 THR CG2 C 25.272 0.097 1 685 68 68 THR N N 120.443 0.032 1 686 69 69 VAL H H 8.972 0.004 1 687 69 69 VAL HA H 4.632 0.006 1 688 69 69 VAL HB H 2.408 0.005 1 689 69 69 VAL HG1 H 0.960 0.006 2 690 69 69 VAL HG2 H 0.778 0.006 2 691 69 69 VAL C C 175.863 0.000 1 692 69 69 VAL CA C 60.601 0.041 1 693 69 69 VAL CB C 32.407 0.030 1 694 69 69 VAL CG1 C 21.468 0.063 2 695 69 69 VAL CG2 C 19.719 0.051 2 696 69 69 VAL N N 121.002 0.021 1 697 70 70 GLY H H 7.210 0.003 1 698 70 70 GLY HA2 H 4.051 0.000 1 699 70 70 GLY HA3 H 4.051 0.000 1 700 70 70 GLY C C 169.419 0.000 1 701 70 70 GLY CA C 45.682 0.012 1 702 70 70 GLY N N 108.721 0.045 1 703 71 71 TYR H H 8.746 0.004 1 704 71 71 TYR HA H 5.267 0.006 1 705 71 71 TYR HB2 H 3.061 0.002 2 706 71 71 TYR HB3 H 2.768 0.000 2 707 71 71 TYR HD1 H 7.143 0.004 3 708 71 71 TYR HD2 H 7.143 0.004 3 709 71 71 TYR HE1 H 6.663 0.005 3 710 71 71 TYR HE2 H 6.663 0.005 3 711 71 71 TYR C C 174.579 0.000 1 712 71 71 TYR CA C 58.000 0.044 1 713 71 71 TYR CB C 40.973 0.049 1 714 71 71 TYR CD1 C 133.294 0.000 3 715 71 71 TYR CD2 C 133.294 0.000 3 716 71 71 TYR CE1 C 117.813 0.000 3 717 71 71 TYR CE2 C 117.813 0.000 3 718 71 71 TYR N N 120.981 0.032 1 719 72 72 TYR H H 8.524 0.004 1 720 72 72 TYR HA H 5.288 0.006 1 721 72 72 TYR HB2 H 3.433 0.003 2 722 72 72 TYR HB3 H 2.259 0.009 2 723 72 72 TYR HD1 H 6.749 0.008 3 724 72 72 TYR HD2 H 6.749 0.008 3 725 72 72 TYR HE1 H 6.531 0.000 3 726 72 72 TYR HE2 H 6.531 0.000 3 727 72 72 TYR C C 173.214 0.000 1 728 72 72 TYR CA C 58.346 0.069 1 729 72 72 TYR CB C 46.155 0.026 1 730 72 72 TYR CD1 C 132.954 0.000 3 731 72 72 TYR CD2 C 132.954 0.000 3 732 72 72 TYR CE1 C 117.861 0.000 3 733 72 72 TYR CE2 C 117.861 0.000 3 734 72 72 TYR N N 119.753 0.035 1 735 73 73 ASN H H 9.831 0.004 1 736 73 73 ASN HA H 6.194 0.009 1 737 73 73 ASN HB2 H 2.807 0.009 2 738 73 73 ASN HB3 H 2.564 0.005 2 739 73 73 ASN HD21 H 7.461 0.000 1 740 73 73 ASN HD22 H 6.704 0.000 1 741 73 73 ASN C C 174.529 0.000 1 742 73 73 ASN CA C 52.446 0.053 1 743 73 73 ASN CB C 44.236 0.046 1 744 73 73 ASN N N 119.358 0.025 1 745 73 73 ASN ND2 N 112.576 0.000 1 746 74 74 THR H H 8.839 0.004 1 747 74 74 THR HA H 5.005 0.003 1 748 74 74 THR HB H 3.515 0.008 1 749 74 74 THR HG2 H 0.226 0.007 1 750 74 74 THR CA C 58.846 0.068 1 751 74 74 THR CB C 69.284 0.018 1 752 74 74 THR CG2 C 19.227 0.092 1 753 74 74 THR N N 117.549 0.044 1 754 75 75 SER H H 8.351 0.002 1 755 75 75 SER HA H 4.577 0.000 1 756 75 75 SER HB2 H 3.874 0.000 1 757 75 75 SER HB3 H 3.874 0.000 1 758 75 75 SER C C 174.815 0.000 1 759 75 75 SER CA C 58.898 0.000 1 760 75 75 SER CB C 64.140 0.079 1 761 75 75 SER N N 122.718 0.090 1 762 76 76 SER H H 8.110 0.004 1 763 76 76 SER HA H 4.589 0.002 1 764 76 76 SER HB2 H 3.812 0.012 2 765 76 76 SER HB3 H 3.769 0.020 2 766 76 76 SER C C 173.234 0.000 1 767 76 76 SER CA C 58.370 0.103 1 768 76 76 SER CB C 64.823 0.084 1 769 76 76 SER N N 115.786 0.068 1 770 77 77 LEU H H 8.499 0.008 1 771 77 77 LEU HA H 4.584 0.002 1 772 77 77 LEU HB2 H 1.609 0.003 1 773 77 77 LEU HB3 H 1.609 0.003 1 774 77 77 LEU HG H 1.614 0.005 1 775 77 77 LEU HD1 H 0.826 0.005 2 776 77 77 LEU HD2 H 0.823 0.002 2 777 77 77 LEU CA C 53.913 0.008 1 778 77 77 LEU CB C 42.771 0.000 1 779 77 77 LEU CG C 27.050 0.023 1 780 77 77 LEU CD1 C 23.392 0.000 2 781 77 77 LEU CD2 C 23.524 0.071 2 782 77 77 LEU N N 123.940 0.051 1 783 78 78 SER HA H 4.357 0.004 1 784 78 78 SER HB2 H 3.680 0.007 2 785 78 78 SER HB3 H 4.005 0.001 2 786 78 78 SER C C 177.340 0.000 1 787 78 78 SER CA C 57.828 0.072 1 788 78 78 SER CB C 64.413 0.082 1 789 79 79 VAL H H 8.534 0.006 1 790 79 79 VAL HA H 3.836 0.002 1 791 79 79 VAL HB H 2.080 0.003 1 792 79 79 VAL HG1 H 0.958 0.005 2 793 79 79 VAL HG2 H 1.017 0.003 2 794 79 79 VAL C C 178.652 0.000 1 795 79 79 VAL CA C 65.147 0.036 1 796 79 79 VAL CB C 31.905 0.019 1 797 79 79 VAL CG1 C 21.032 0.014 2 798 79 79 VAL CG2 C 21.279 0.054 2 799 79 79 VAL N N 122.782 0.062 1 800 80 80 GLY H H 8.618 0.002 1 801 80 80 GLY HA2 H 3.909 0.003 2 802 80 80 GLY HA3 H 3.909 0.003 2 803 80 80 GLY C C 175.504 0.000 1 804 80 80 GLY CA C 46.346 0.061 1 805 80 80 GLY N N 109.358 0.039 1 806 81 81 LEU H H 7.650 0.003 1 807 81 81 LEU HA H 4.124 0.008 1 808 81 81 LEU HB2 H 1.379 0.007 2 809 81 81 LEU HB3 H 1.831 0.003 2 810 81 81 LEU HG H 1.548 0.008 1 811 81 81 LEU HD1 H 0.918 0.005 2 812 81 81 LEU HD2 H 0.763 0.007 2 813 81 81 LEU C C 177.446 0.000 1 814 81 81 LEU CA C 55.892 0.049 1 815 81 81 LEU CB C 42.811 0.070 1 816 81 81 LEU CG C 27.277 0.019 1 817 81 81 LEU CD1 C 26.079 0.064 2 818 81 81 LEU CD2 C 24.145 0.050 2 819 81 81 LEU N N 120.389 0.021 1 820 82 82 GLN H H 7.832 0.005 1 821 82 82 GLN HA H 4.115 0.001 1 822 82 82 GLN HB2 H 2.179 0.002 2 823 82 82 GLN HB3 H 2.033 0.004 2 824 82 82 GLN HG2 H 2.451 0.004 2 825 82 82 GLN HG3 H 2.288 0.002 2 826 82 82 GLN C C 176.106 0.000 1 827 82 82 GLN CA C 56.760 0.081 1 828 82 82 GLN CB C 29.401 0.134 1 829 82 82 GLN CG C 34.228 0.009 1 830 82 82 GLN N N 118.877 0.024 1 831 83 83 ALA H H 7.528 0.006 1 832 83 83 ALA HA H 4.295 0.003 1 833 83 83 ALA HB H 1.403 0.010 1 834 83 83 ALA C C 178.343 0.000 1 835 83 83 ALA CA C 52.770 0.095 1 836 83 83 ALA CB C 19.417 0.065 1 837 83 83 ALA N N 122.762 0.052 1 838 84 84 GLY H H 8.480 0.003 1 839 84 84 GLY HA2 H 4.130 0.010 2 840 84 84 GLY HA3 H 3.787 0.002 2 841 84 84 GLY C C 174.328 0.000 1 842 84 84 GLY CA C 45.520 0.025 1 843 84 84 GLY N N 109.936 0.032 1 844 85 85 ALA H H 8.372 0.003 1 845 85 85 ALA HA H 4.283 0.003 1 846 85 85 ALA HB H 1.420 0.007 1 847 85 85 ALA C C 177.520 0.000 1 848 85 85 ALA CA C 52.696 0.064 1 849 85 85 ALA CB C 19.328 0.070 1 850 85 85 ALA N N 124.513 0.036 1 851 86 86 GLN H H 8.281 0.002 1 852 86 86 GLN HA H 4.366 0.003 1 853 86 86 GLN HB2 H 2.022 0.006 2 854 86 86 GLN HB3 H 2.160 0.003 2 855 86 86 GLN HG2 H 2.425 0.005 1 856 86 86 GLN HG3 H 2.425 0.005 1 857 86 86 GLN C C 175.612 0.000 1 858 86 86 GLN CA C 55.910 0.042 1 859 86 86 GLN CB C 29.870 0.092 1 860 86 86 GLN CG C 34.027 0.051 1 861 86 86 GLN N N 119.234 0.023 1 862 87 87 SER H H 8.238 0.002 1 863 87 87 SER HA H 4.580 0.000 1 864 87 87 SER HB2 H 3.839 0.000 1 865 87 87 SER HB3 H 3.839 0.000 1 866 87 87 SER C C 174.132 0.000 1 867 87 87 SER CA C 58.781 0.021 1 868 87 87 SER CB C 63.689 0.060 1 869 87 87 SER N N 117.485 0.022 1 870 88 88 LYS H H 8.333 0.008 1 871 88 88 LYS HA H 4.892 0.003 1 872 88 88 LYS HB2 H 1.492 0.006 2 873 88 88 LYS HB3 H 1.572 0.006 2 874 88 88 LYS HG2 H 1.267 0.002 2 875 88 88 LYS HG3 H 1.431 0.007 2 876 88 88 LYS HD2 H 1.595 0.000 1 877 88 88 LYS HD3 H 1.595 0.000 1 878 88 88 LYS HE2 H 3.006 0.000 2 879 88 88 LYS HE3 H 3.006 0.000 2 880 88 88 LYS C C 173.341 0.000 1 881 88 88 LYS CA C 55.565 0.060 1 882 88 88 LYS CB C 35.727 0.138 1 883 88 88 LYS CG C 24.866 0.030 1 884 88 88 LYS CD C 30.045 0.000 1 885 88 88 LYS N N 122.692 0.033 1 886 89 89 ALA H H 8.661 0.004 1 887 89 89 ALA HA H 5.158 0.007 1 888 89 89 ALA HB H 1.347 0.006 1 889 89 89 ALA C C 176.874 0.000 1 890 89 89 ALA CA C 50.036 0.066 1 891 89 89 ALA CB C 22.132 0.065 1 892 89 89 ALA N N 124.334 0.047 1 893 90 90 ILE H H 8.643 0.004 1 894 90 90 ILE HA H 4.967 0.007 1 895 90 90 ILE HB H 1.709 0.003 1 896 90 90 ILE HG12 H 0.900 0.007 2 897 90 90 ILE HG13 H 1.545 0.003 2 898 90 90 ILE HG2 H 0.454 0.008 1 899 90 90 ILE HD1 H 0.756 0.003 1 900 90 90 ILE C C 174.184 0.000 1 901 90 90 ILE CA C 60.077 0.035 1 902 90 90 ILE CB C 41.504 0.048 1 903 90 90 ILE CG1 C 27.255 0.027 1 904 90 90 ILE CG2 C 18.965 0.037 1 905 90 90 ILE CD1 C 14.573 0.050 1 906 90 90 ILE N N 119.133 0.025 1 907 91 91 VAL H H 9.121 0.004 1 908 91 91 VAL HA H 4.990 0.007 1 909 91 91 VAL HB H 1.933 0.003 1 910 91 91 VAL HG1 H 0.678 0.003 2 911 91 91 VAL HG2 H 0.741 0.000 2 912 91 91 VAL C C 174.789 0.000 1 913 91 91 VAL CA C 60.362 0.081 1 914 91 91 VAL CB C 34.719 0.050 1 915 91 91 VAL CG1 C 21.443 0.048 2 916 91 91 VAL CG2 C 20.067 0.036 2 917 91 91 VAL N N 127.536 0.035 1 918 92 92 PHE H H 9.769 0.003 1 919 92 92 PHE HA H 4.866 0.008 1 920 92 92 PHE HB2 H 2.042 0.007 2 921 92 92 PHE HB3 H 2.856 0.005 2 922 92 92 PHE HD1 H 7.056 0.006 3 923 92 92 PHE HD2 H 7.056 0.006 3 924 92 92 PHE HE1 H 7.124 0.005 3 925 92 92 PHE HE2 H 7.124 0.005 3 926 92 92 PHE HZ H 6.947 0.007 1 927 92 92 PHE C C 174.086 0.000 1 928 92 92 PHE CA C 56.952 0.038 1 929 92 92 PHE CB C 41.417 0.082 1 930 92 92 PHE CD1 C 132.243 0.012 3 931 92 92 PHE CD2 C 132.243 0.012 3 932 92 92 PHE CE1 C 130.788 0.000 3 933 92 92 PHE CE2 C 130.788 0.000 3 934 92 92 PHE CZ C 128.083 0.016 1 935 92 92 PHE N N 125.071 0.039 1 936 93 93 LEU H H 9.517 0.019 1 937 93 93 LEU HA H 4.815 0.005 1 938 93 93 LEU HB2 H 1.621 0.006 2 939 93 93 LEU HB3 H 1.814 0.009 2 940 93 93 LEU HG H 1.473 0.002 1 941 93 93 LEU HD1 H 0.852 0.006 2 942 93 93 LEU HD2 H 0.741 0.004 2 943 93 93 LEU C C 175.001 0.000 1 944 93 93 LEU CA C 53.668 0.029 1 945 93 93 LEU CB C 42.827 0.077 1 946 93 93 LEU CG C 27.289 0.000 1 947 93 93 LEU CD1 C 27.134 0.010 2 948 93 93 LEU CD2 C 26.136 0.073 2 949 93 93 LEU N N 123.098 0.035 1 950 94 94 PHE H H 8.566 0.003 1 951 94 94 PHE HA H 4.676 0.008 1 952 94 94 PHE HB2 H 2.759 0.003 1 953 94 94 PHE HB3 H 2.759 0.003 1 954 94 94 PHE HD1 H 6.642 0.007 3 955 94 94 PHE HD2 H 6.642 0.007 3 956 94 94 PHE HE1 H 6.371 0.009 3 957 94 94 PHE HE2 H 6.371 0.009 3 958 94 94 PHE HZ H 4.992 0.004 1 959 94 94 PHE C C 175.695 0.000 1 960 94 94 PHE CA C 58.050 0.036 1 961 94 94 PHE CB C 39.440 0.048 1 962 94 94 PHE CD1 C 130.631 0.036 3 963 94 94 PHE CD2 C 130.631 0.036 3 964 94 94 PHE CE1 C 130.856 0.092 3 965 94 94 PHE CE2 C 130.856 0.092 3 966 94 94 PHE CZ C 129.020 0.001 1 967 94 94 PHE N N 122.552 0.109 1 968 95 95 MET H H 9.621 0.003 1 969 95 95 MET HA H 4.658 0.004 1 970 95 95 MET HB2 H 2.341 0.004 2 971 95 95 MET HB3 H 2.250 0.000 2 972 95 95 MET HG2 H 2.413 0.001 2 973 95 95 MET HG3 H 2.912 0.006 2 974 95 95 MET C C 176.998 0.000 1 975 95 95 MET CA C 55.285 0.068 1 976 95 95 MET CB C 30.549 0.083 1 977 95 95 MET CG C 31.741 0.042 1 978 95 95 MET N N 123.474 0.035 1 979 96 96 THR H H 7.462 0.007 1 980 96 96 THR HA H 4.865 0.007 1 981 96 96 THR HB H 4.686 0.002 1 982 96 96 THR HG2 H 1.270 0.006 1 983 96 96 THR C C 174.312 0.000 1 984 96 96 THR CA C 58.028 0.101 1 985 96 96 THR CB C 71.372 0.091 1 986 96 96 THR CG2 C 22.168 0.002 1 987 96 96 THR N N 106.704 0.069 1 988 97 97 GLN H H 9.389 0.005 1 989 97 97 GLN HA H 3.722 0.007 1 990 97 97 GLN HB2 H 2.069 0.006 2 991 97 97 GLN HB3 H 2.204 0.009 2 992 97 97 GLN HG2 H 2.479 0.009 1 993 97 97 GLN HG3 H 2.479 0.009 1 994 97 97 GLN HE21 H 6.702 0.000 1 995 97 97 GLN HE22 H 8.220 0.000 1 996 97 97 GLN C C 177.538 0.000 1 997 97 97 GLN CA C 58.147 0.067 1 998 97 97 GLN CB C 28.075 0.062 1 999 97 97 GLN CG C 32.924 0.065 1 1000 97 97 GLN N N 124.995 0.037 1 1001 97 97 GLN NE2 N 116.389 0.003 1 1002 98 98 ASP H H 8.672 0.003 1 1003 98 98 ASP HA H 4.402 0.001 1 1004 98 98 ASP HB2 H 2.620 0.002 2 1005 98 98 ASP HB3 H 2.699 0.004 2 1006 98 98 ASP C C 178.254 0.000 1 1007 98 98 ASP CA C 57.346 0.045 1 1008 98 98 ASP CB C 41.035 0.041 1 1009 98 98 ASP N N 117.480 0.032 1 1010 99 99 ALA H H 7.914 0.003 1 1011 99 99 ALA HA H 4.198 0.004 1 1012 99 99 ALA HB H 1.634 0.008 1 1013 99 99 ALA C C 180.557 0.000 1 1014 99 99 ALA CA C 55.175 0.060 1 1015 99 99 ALA CB C 19.218 0.064 1 1016 99 99 ALA N N 121.835 0.047 1 1017 100 100 LEU H H 7.593 0.002 1 1018 100 100 LEU HA H 3.406 0.006 1 1019 100 100 LEU HB2 H 1.158 0.006 2 1020 100 100 LEU HB3 H 2.008 0.006 2 1021 100 100 LEU HG H 0.817 0.006 1 1022 100 100 LEU HD1 H 0.439 0.007 2 1023 100 100 LEU HD2 H 1.379 0.006 2 1024 100 100 LEU C C 177.531 0.000 1 1025 100 100 LEU CA C 57.494 0.047 1 1026 100 100 LEU CB C 41.814 0.051 1 1027 100 100 LEU CG C 27.193 0.028 1 1028 100 100 LEU CD1 C 23.434 0.057 2 1029 100 100 LEU CD2 C 26.804 0.058 2 1030 100 100 LEU N N 120.296 0.031 1 1031 101 101 ASP H H 8.990 0.003 1 1032 101 101 ASP HA H 4.203 0.003 1 1033 101 101 ASP HB2 H 2.560 0.001 2 1034 101 101 ASP HB3 H 2.736 0.003 2 1035 101 101 ASP C C 178.630 0.000 1 1036 101 101 ASP CA C 57.715 0.090 1 1037 101 101 ASP CB C 39.761 0.071 1 1038 101 101 ASP N N 121.262 0.052 1 1039 102 102 LYS H H 8.061 0.002 1 1040 102 102 LYS HA H 3.997 0.004 1 1041 102 102 LYS HB2 H 1.981 0.010 2 1042 102 102 LYS HB3 H 1.978 0.007 2 1043 102 102 LYS HG2 H 1.608 0.004 2 1044 102 102 LYS HG3 H 1.502 0.002 2 1045 102 102 LYS HD2 H 1.773 0.005 1 1046 102 102 LYS HD3 H 1.773 0.005 1 1047 102 102 LYS HE2 H 3.068 0.003 1 1048 102 102 LYS HE3 H 3.068 0.003 1 1049 102 102 LYS C C 179.716 0.000 1 1050 102 102 LYS CA C 59.414 0.038 1 1051 102 102 LYS CB C 32.190 0.035 1 1052 102 102 LYS CG C 25.799 0.046 1 1053 102 102 LYS CD C 29.276 0.095 1 1054 102 102 LYS CE C 42.240 0.144 1 1055 102 102 LYS N N 120.095 0.034 1 1056 103 103 PHE H H 7.468 0.006 1 1057 103 103 PHE HA H 3.669 0.006 1 1058 103 103 PHE HB2 H 2.227 0.008 1 1059 103 103 PHE HB3 H 2.227 0.008 1 1060 103 103 PHE HD1 H 5.520 0.026 3 1061 103 103 PHE HD2 H 5.520 0.026 3 1062 103 103 PHE HE1 H 6.184 0.004 3 1063 103 103 PHE HE2 H 6.184 0.004 3 1064 103 103 PHE HZ H 5.578 0.004 1 1065 103 103 PHE C C 178.097 0.000 1 1066 103 103 PHE CA C 61.617 0.040 1 1067 103 103 PHE CB C 39.044 0.058 1 1068 103 103 PHE CD1 C 130.997 0.048 3 1069 103 103 PHE CD2 C 130.997 0.048 3 1070 103 103 PHE CE1 C 129.764 0.034 3 1071 103 103 PHE CE2 C 129.764 0.034 3 1072 103 103 PHE CZ C 129.881 0.018 1 1073 103 103 PHE N N 119.980 0.028 1 1074 104 104 ARG H H 8.607 0.004 1 1075 104 104 ARG HA H 3.472 0.006 1 1076 104 104 ARG HB2 H 1.721 0.005 2 1077 104 104 ARG HB3 H 1.879 0.008 2 1078 104 104 ARG HG2 H 1.893 0.005 2 1079 104 104 ARG HG3 H 1.302 0.008 2 1080 104 104 ARG HD2 H 2.937 0.004 2 1081 104 104 ARG HD3 H 3.108 0.004 2 1082 104 104 ARG C C 177.295 0.000 1 1083 104 104 ARG CA C 59.623 0.058 1 1084 104 104 ARG CB C 30.123 0.084 1 1085 104 104 ARG CG C 28.043 0.136 1 1086 104 104 ARG CD C 43.562 0.067 1 1087 104 104 ARG N N 119.055 0.017 1 1088 105 105 ASN H H 7.703 0.003 1 1089 105 105 ASN HA H 4.712 0.002 1 1090 105 105 ASN HB2 H 2.699 0.009 2 1091 105 105 ASN HB3 H 2.917 0.008 2 1092 105 105 ASN HD21 H 6.936 0.000 1 1093 105 105 ASN HD22 H 7.498 0.000 1 1094 105 105 ASN C C 174.904 0.000 1 1095 105 105 ASN CA C 53.414 0.061 1 1096 105 105 ASN CB C 39.056 0.082 1 1097 105 105 ASN N N 116.016 0.037 1 1098 105 105 ASN ND2 N 113.786 0.000 1 1099 106 106 SER H H 7.262 0.003 1 1100 106 106 SER HA H 4.544 0.003 1 1101 106 106 SER HB2 H 3.962 0.014 2 1102 106 106 SER HB3 H 3.985 0.010 2 1103 106 106 SER C C 173.537 0.000 1 1104 106 106 SER CA C 58.926 0.051 1 1105 106 106 SER CB C 64.889 0.111 1 1106 106 106 SER N N 116.242 0.033 1 1107 107 107 ASP H H 8.867 0.003 1 1108 107 107 ASP HA H 4.808 0.002 1 1109 107 107 ASP HB2 H 2.585 0.002 2 1110 107 107 ASP HB3 H 2.865 0.006 2 1111 107 107 ASP C C 175.803 0.000 1 1112 107 107 ASP CA C 54.092 0.070 1 1113 107 107 ASP CB C 40.527 0.061 1 1114 107 107 ASP N N 125.245 0.025 1 1115 108 108 GLY H H 7.987 0.003 1 1116 108 108 GLY HA2 H 4.163 0.000 1 1117 108 108 GLY HA3 H 4.163 0.000 1 1118 108 108 GLY C C 172.395 0.000 1 1119 108 108 GLY CA C 45.695 0.017 1 1120 108 108 GLY N N 111.749 0.016 1 1121 109 109 TRP H H 8.609 0.003 1 1122 109 109 TRP HA H 4.821 0.002 1 1123 109 109 TRP HB2 H 3.132 0.006 2 1124 109 109 TRP HB3 H 3.134 0.006 2 1125 109 109 TRP HD1 H 7.285 0.005 1 1126 109 109 TRP HE1 H 10.818 0.000 1 1127 109 109 TRP HE3 H 7.255 0.012 1 1128 109 109 TRP HZ2 H 7.284 0.006 1 1129 109 109 TRP HZ3 H 5.856 0.008 1 1130 109 109 TRP HH2 H 6.500 0.005 1 1131 109 109 TRP C C 174.018 0.000 1 1132 109 109 TRP CA C 57.443 0.052 1 1133 109 109 TRP CB C 32.555 0.095 1 1134 109 109 TRP CD1 C 127.123 0.073 1 1135 109 109 TRP CE3 C 120.600 0.002 1 1136 109 109 TRP CZ2 C 113.753 0.023 1 1137 109 109 TRP CZ3 C 120.641 0.011 1 1138 109 109 TRP CH2 C 123.050 0.026 1 1139 109 109 TRP N N 126.130 0.029 1 1140 109 109 TRP NE1 N 131.050 0.000 1 1141 110 110 ALA H H 9.063 0.006 1 1142 110 110 ALA HA H 4.915 0.007 1 1143 110 110 ALA HB H 1.120 0.005 1 1144 110 110 ALA C C 176.134 0.000 1 1145 110 110 ALA CA C 49.846 0.036 1 1146 110 110 ALA CB C 19.920 0.070 1 1147 110 110 ALA N N 132.177 0.053 1 1148 111 111 ALA H H 7.852 0.003 1 1149 111 111 ALA HA H 2.923 0.010 1 1150 111 111 ALA HB H 1.101 0.018 1 1151 111 111 ALA C C 178.133 0.000 1 1152 111 111 ALA CA C 52.998 0.081 1 1153 111 111 ALA CB C 18.878 0.078 1 1154 111 111 ALA N N 127.645 0.023 1 1155 112 112 GLY H H 8.136 0.003 1 1156 112 112 GLY HA2 H 3.797 0.009 2 1157 112 112 GLY HA3 H 4.144 0.002 2 1158 112 112 GLY C C 173.452 0.000 1 1159 112 112 GLY CA C 45.910 0.017 1 1160 112 112 GLY N N 111.468 0.048 1 1161 113 113 ALA H H 7.456 0.002 1 1162 113 113 ALA HA H 4.355 0.001 1 1163 113 113 ALA HB H 1.283 0.002 1 1164 113 113 ALA C C 177.505 0.000 1 1165 113 113 ALA CA C 52.939 0.051 1 1166 113 113 ALA CB C 19.559 0.080 1 1167 113 113 ALA N N 123.233 0.034 1 1168 114 114 ASP H H 7.926 0.003 1 1169 114 114 ASP HA H 4.588 0.012 1 1170 114 114 ASP HB2 H 2.157 0.012 2 1171 114 114 ASP HB3 H 2.692 0.002 2 1172 114 114 ASP C C 175.772 0.000 1 1173 114 114 ASP CA C 54.748 0.032 1 1174 114 114 ASP CB C 42.268 0.065 1 1175 114 114 ASP N N 117.094 0.028 1 1176 115 115 ALA H H 7.514 0.004 1 1177 115 115 ALA HA H 4.432 0.001 1 1178 115 115 ALA HB H 1.512 0.007 1 1179 115 115 ALA C C 176.747 0.000 1 1180 115 115 ALA CA C 52.299 0.063 1 1181 115 115 ALA CB C 20.971 0.027 1 1182 115 115 ALA N N 120.969 0.034 1 1183 116 116 SER H H 8.615 0.004 1 1184 116 116 SER HA H 4.480 0.001 1 1185 116 116 SER HB2 H 3.931 0.001 1 1186 116 116 SER HB3 H 3.931 0.001 1 1187 116 116 SER C C 172.877 0.000 1 1188 116 116 SER CA C 59.174 0.075 1 1189 116 116 SER CB C 63.507 0.038 1 1190 116 116 SER N N 117.823 0.042 1 1191 117 117 VAL H H 7.838 0.007 1 1192 117 117 VAL HA H 5.005 0.004 1 1193 117 117 VAL HB H 1.931 0.004 1 1194 117 117 VAL HG1 H 0.876 0.024 2 1195 117 117 VAL HG2 H 0.854 0.011 2 1196 117 117 VAL C C 175.236 0.000 1 1197 117 117 VAL CA C 59.716 0.062 1 1198 117 117 VAL CB C 34.106 0.083 1 1199 117 117 VAL CG1 C 20.835 0.078 2 1200 117 117 VAL CG2 C 22.032 0.027 2 1201 117 117 VAL N N 119.496 0.020 1 1202 118 118 ALA H H 8.411 0.002 1 1203 118 118 ALA HA H 4.724 0.002 1 1204 118 118 ALA HB H 1.379 0.002 1 1205 118 118 ALA C C 175.424 0.000 1 1206 118 118 ALA CA C 50.854 0.016 1 1207 118 118 ALA CB C 22.823 0.072 1 1208 118 118 ALA N N 128.205 0.033 1 1209 119 119 LEU H H 8.499 0.002 1 1210 119 119 LEU HA H 4.677 0.003 1 1211 119 119 LEU HB2 H 1.537 0.002 2 1212 119 119 LEU HB3 H 1.716 0.006 2 1213 119 119 LEU HG H 1.764 0.005 1 1214 119 119 LEU HD1 H 0.960 0.003 1 1215 119 119 LEU HD2 H 0.960 0.003 1 1216 119 119 LEU C C 177.941 0.000 1 1217 119 119 LEU CA C 54.334 0.068 1 1218 119 119 LEU CB C 42.995 0.045 1 1219 119 119 LEU CG C 27.768 0.060 1 1220 119 119 LEU CD1 C 25.012 0.103 1 1221 119 119 LEU CD2 C 25.012 0.103 1 1222 119 119 LEU N N 123.713 0.035 1 1223 120 120 VAL H H 8.813 0.003 1 1224 120 120 VAL HA H 3.902 0.004 1 1225 120 120 VAL HB H 1.826 0.016 1 1226 120 120 VAL HG1 H 0.910 0.005 2 1227 120 120 VAL HG2 H 0.814 0.004 2 1228 120 120 VAL C C 174.370 0.000 1 1229 120 120 VAL CA C 63.251 0.060 1 1230 120 120 VAL CB C 32.262 0.048 1 1231 120 120 VAL CG1 C 23.268 0.037 2 1232 120 120 VAL CG2 C 22.311 0.049 2 1233 120 120 VAL N N 127.938 0.020 1 1234 121 121 LYS H H 8.577 0.004 1 1235 121 121 LYS HA H 4.660 0.003 1 1236 121 121 LYS HB2 H 1.729 0.009 2 1237 121 121 LYS HB3 H 1.864 0.005 2 1238 121 121 LYS HG2 H 1.457 0.004 1 1239 121 121 LYS HG3 H 1.457 0.004 1 1240 121 121 LYS HD2 H 1.731 0.000 1 1241 121 121 LYS HD3 H 1.731 0.000 1 1242 121 121 LYS HE2 H 3.052 0.003 1 1243 121 121 LYS HE3 H 3.052 0.003 1 1244 121 121 LYS C C 175.666 0.000 1 1245 121 121 LYS CA C 54.232 0.058 1 1246 121 121 LYS CB C 35.823 0.112 1 1247 121 121 LYS CG C 24.604 0.040 1 1248 121 121 LYS CD C 29.276 0.134 1 1249 121 121 LYS CE C 42.332 0.000 1 1250 121 121 LYS N N 125.378 0.128 1 1251 122 122 MET H H 8.685 0.004 1 1252 122 122 MET HA H 4.575 0.033 1 1253 122 122 MET HB2 H 2.000 0.010 2 1254 122 122 MET HB3 H 2.012 0.007 2 1255 122 122 MET HG2 H 2.609 0.006 2 1256 122 122 MET HG3 H 2.697 0.006 2 1257 122 122 MET C C 177.685 0.000 1 1258 122 122 MET CA C 54.293 0.078 1 1259 122 122 MET CB C 32.187 0.037 1 1260 122 122 MET CG C 31.779 0.045 1 1261 122 122 MET N N 120.004 0.031 1 1262 123 123 GLY H H 8.635 0.004 1 1263 123 123 GLY HA2 H 3.941 0.002 2 1264 123 123 GLY HA3 H 4.532 0.002 2 1265 123 123 GLY C C 174.813 0.000 1 1266 123 123 GLY CA C 44.075 0.097 1 1267 123 123 GLY N N 112.515 0.028 1 1268 124 124 ALA H H 8.757 0.003 1 1269 124 124 ALA HA H 4.209 0.005 1 1270 124 124 ALA HB H 1.454 0.008 1 1271 124 124 ALA C C 178.219 0.000 1 1272 124 124 ALA CA C 54.070 0.057 1 1273 124 124 ALA CB C 18.694 0.083 1 1274 124 124 ALA N N 124.413 0.027 1 1275 125 125 ASN H H 8.431 0.002 1 1276 125 125 ASN HA H 4.664 0.003 1 1277 125 125 ASN HB2 H 2.895 0.003 2 1278 125 125 ASN HB3 H 3.072 0.006 2 1279 125 125 ASN HD21 H 6.927 0.000 1 1280 125 125 ASN HD22 H 7.637 0.000 1 1281 125 125 ASN C C 176.393 0.000 1 1282 125 125 ASN CA C 52.671 0.098 1 1283 125 125 ASN CB C 37.566 0.186 1 1284 125 125 ASN N N 114.716 0.033 1 1285 125 125 ASN ND2 N 112.358 0.003 1 1286 126 126 GLY H H 8.142 0.002 1 1287 126 126 GLY HA2 H 4.144 0.004 2 1288 126 126 GLY HA3 H 3.767 0.007 2 1289 126 126 GLY C C 172.400 0.000 1 1290 126 126 GLY CA C 46.287 0.033 1 1291 126 126 GLY N N 107.741 0.040 1 1292 127 127 ALA H H 7.411 0.005 1 1293 127 127 ALA HA H 4.862 0.006 1 1294 127 127 ALA HB H 1.249 0.004 1 1295 127 127 ALA C C 177.435 0.000 1 1296 127 127 ALA CA C 49.803 0.031 1 1297 127 127 ALA CB C 22.263 0.084 1 1298 127 127 ALA N N 121.455 0.025 1 1299 128 128 ILE H H 8.188 0.002 1 1300 128 128 ILE HA H 4.038 0.002 1 1301 128 128 ILE HB H 1.628 0.008 1 1302 128 128 ILE HG12 H 0.977 0.005 2 1303 128 128 ILE HG13 H 1.550 0.003 2 1304 128 128 ILE HG2 H 0.768 0.006 1 1305 128 128 ILE HD1 H 0.603 0.011 1 1306 128 128 ILE C C 175.931 0.000 1 1307 128 128 ILE CA C 62.894 0.061 1 1308 128 128 ILE CB C 39.466 0.045 1 1309 128 128 ILE CG1 C 28.037 0.035 1 1310 128 128 ILE CG2 C 17.798 0.053 1 1311 128 128 ILE CD1 C 14.294 0.098 1 1312 128 128 ILE N N 120.201 0.038 1 1313 129 129 ASP H H 8.894 0.003 1 1314 129 129 ASP HA H 4.783 0.008 1 1315 129 129 ASP HB2 H 2.378 0.006 2 1316 129 129 ASP HB3 H 2.861 0.004 2 1317 129 129 ASP C C 176.913 0.000 1 1318 129 129 ASP CA C 53.314 0.086 1 1319 129 129 ASP CB C 40.783 0.072 1 1320 129 129 ASP N N 126.864 0.034 1 1321 130 130 THR H H 8.557 0.003 1 1322 130 130 THR HA H 4.220 0.007 1 1323 130 130 THR HB H 4.420 0.005 1 1324 130 130 THR HG2 H 1.225 0.005 1 1325 130 130 THR C C 176.283 0.000 1 1326 130 130 THR CA C 63.038 0.065 1 1327 130 130 THR CB C 68.486 0.065 1 1328 130 130 THR CG2 C 22.421 0.036 1 1329 130 130 THR N N 118.281 0.024 1 1330 131 131 THR H H 8.533 0.003 1 1331 131 131 THR HA H 4.241 0.024 1 1332 131 131 THR HB H 4.288 0.012 1 1333 131 131 THR HG2 H 1.284 0.005 1 1334 131 131 THR C C 175.808 0.000 1 1335 131 131 THR CA C 64.240 0.073 1 1336 131 131 THR CB C 69.362 0.132 1 1337 131 131 THR CG2 C 21.934 0.007 1 1338 131 131 THR N N 115.976 0.034 1 1339 132 132 THR H H 7.465 0.004 1 1340 132 132 THR HA H 4.406 0.004 1 1341 132 132 THR HB H 4.404 0.004 1 1342 132 132 THR HG2 H 1.205 0.004 1 1343 132 132 THR C C 174.536 0.000 1 1344 132 132 THR CA C 61.382 0.073 1 1345 132 132 THR CB C 69.400 0.046 1 1346 132 132 THR CG2 C 21.772 0.117 1 1347 132 132 THR N N 112.282 0.080 1 1348 133 133 ALA H H 7.765 0.005 1 1349 133 133 ALA HA H 4.584 0.008 1 1350 133 133 ALA HB H 1.317 0.007 1 1351 133 133 ALA C C 177.638 0.000 1 1352 133 133 ALA CA C 51.688 0.067 1 1353 133 133 ALA CB C 17.818 0.087 1 1354 133 133 ALA N N 128.357 0.026 1 1355 134 134 THR H H 7.971 0.004 1 1356 134 134 THR HA H 4.320 0.017 1 1357 134 134 THR HB H 4.341 0.009 1 1358 134 134 THR HG2 H 1.109 0.003 1 1359 134 134 THR C C 174.580 0.000 1 1360 134 134 THR CA C 61.495 0.073 1 1361 134 134 THR CB C 69.673 0.067 1 1362 134 134 THR CG2 C 21.936 0.018 1 1363 134 134 THR N N 112.563 0.025 1 1364 135 135 ALA H H 8.256 0.006 1 1365 135 135 ALA HA H 4.678 0.000 1 1366 135 135 ALA HB H 1.362 0.002 1 1367 135 135 ALA CA C 50.746 0.021 1 1368 135 135 ALA CB C 19.456 0.001 1 1369 135 135 ALA N N 128.287 0.033 1 1370 136 136 PRO HA H 4.311 0.004 1 1371 136 136 PRO HB2 H 2.551 0.005 2 1372 136 136 PRO HB3 H 2.119 0.001 2 1373 136 136 PRO HG2 H 2.307 0.005 2 1374 136 136 PRO HG3 H 2.120 0.004 2 1375 136 136 PRO HD2 H 3.912 0.008 2 1376 136 136 PRO HD3 H 3.845 0.005 2 1377 136 136 PRO C C 175.561 0.000 1 1378 136 136 PRO CA C 65.410 0.033 1 1379 136 136 PRO CB C 32.730 0.060 1 1380 136 136 PRO CG C 27.999 0.053 1 1381 136 136 PRO CD C 50.320 0.040 1 1382 137 137 VAL H H 7.252 0.005 1 1383 137 137 VAL HA H 4.936 0.004 1 1384 137 137 VAL HB H 2.235 0.006 1 1385 137 137 VAL HG1 H 0.637 0.005 2 1386 137 137 VAL HG2 H 1.049 0.005 2 1387 137 137 VAL C C 174.960 0.000 1 1388 137 137 VAL CA C 60.683 0.047 1 1389 137 137 VAL CB C 33.747 0.066 1 1390 137 137 VAL CG1 C 21.725 0.048 2 1391 137 137 VAL CG2 C 22.411 0.015 2 1392 137 137 VAL N N 114.179 0.046 1 1393 138 138 GLU H H 8.787 0.006 1 1394 138 138 GLU HA H 5.380 0.005 1 1395 138 138 GLU HB2 H 2.110 0.003 2 1396 138 138 GLU HB3 H 1.766 0.012 2 1397 138 138 GLU HG2 H 2.365 0.004 1 1398 138 138 GLU HG3 H 2.365 0.004 1 1399 138 138 GLU C C 175.420 0.000 1 1400 138 138 GLU CA C 53.514 0.069 1 1401 138 138 GLU CB C 31.814 0.060 1 1402 138 138 GLU CG C 33.919 0.007 1 1403 138 138 GLU N N 126.372 0.033 1 1404 139 139 VAL H H 8.901 0.003 1 1405 139 139 VAL HA H 5.020 0.004 1 1406 139 139 VAL HB H 1.650 0.004 1 1407 139 139 VAL HG1 H 0.464 0.005 2 1408 139 139 VAL HG2 H 0.408 0.011 2 1409 139 139 VAL C C 173.450 0.000 1 1410 139 139 VAL CA C 60.103 0.034 1 1411 139 139 VAL CB C 34.920 0.043 1 1412 139 139 VAL CG1 C 22.819 0.078 2 1413 139 139 VAL CG2 C 20.787 0.036 2 1414 139 139 VAL N N 121.624 0.032 1 1415 140 140 ILE H H 9.068 0.003 1 1416 140 140 ILE HA H 4.196 0.004 1 1417 140 140 ILE HB H 1.543 0.005 1 1418 140 140 ILE HG12 H 0.763 0.000 1 1419 140 140 ILE HG13 H 0.763 0.000 1 1420 140 140 ILE HG2 H 0.724 0.005 1 1421 140 140 ILE HD1 H 0.752 0.004 1 1422 140 140 ILE C C 173.994 0.000 1 1423 140 140 ILE CA C 60.206 0.029 1 1424 140 140 ILE CB C 41.683 0.055 1 1425 140 140 ILE CG1 C 28.170 0.100 1 1426 140 140 ILE CG2 C 17.198 0.049 1 1427 140 140 ILE CD1 C 14.385 0.058 1 1428 140 140 ILE N N 128.379 0.031 1 1429 141 141 VAL H H 8.702 0.004 1 1430 141 141 VAL HA H 4.690 0.002 1 1431 141 141 VAL HB H 2.134 0.004 1 1432 141 141 VAL HG1 H 0.697 0.004 2 1433 141 141 VAL HG2 H 0.782 0.005 2 1434 141 141 VAL C C 173.935 0.000 1 1435 141 141 VAL CA C 61.538 0.023 1 1436 141 141 VAL CB C 31.755 0.054 1 1437 141 141 VAL CG1 C 21.004 0.038 2 1438 141 141 VAL CG2 C 22.062 0.068 2 1439 141 141 VAL N N 128.889 0.035 1 1440 142 142 LEU H H 9.007 0.003 1 1441 142 142 LEU HA H 4.899 0.003 1 1442 142 142 LEU HB2 H 1.058 0.009 2 1443 142 142 LEU HB3 H 1.773 0.007 2 1444 142 142 LEU HG H 1.535 0.006 1 1445 142 142 LEU HD1 H 0.777 0.005 2 1446 142 142 LEU HD2 H 0.662 0.010 2 1447 142 142 LEU C C 176.615 0.000 1 1448 142 142 LEU CA C 53.765 0.029 1 1449 142 142 LEU CB C 46.102 0.052 1 1450 142 142 LEU CG C 26.761 0.073 1 1451 142 142 LEU CD1 C 23.760 0.087 2 1452 142 142 LEU CD2 C 25.204 0.069 2 1453 142 142 LEU N N 128.867 0.031 1 1454 143 143 THR H H 8.816 0.006 1 1455 143 143 THR HA H 5.070 0.004 1 1456 143 143 THR HB H 4.689 0.006 1 1457 143 143 THR HG2 H 1.261 0.009 1 1458 143 143 THR C C 175.571 0.000 1 1459 143 143 THR CA C 60.248 0.106 1 1460 143 143 THR CB C 71.705 0.081 1 1461 143 143 THR CG2 C 21.824 0.015 1 1462 143 143 THR N N 118.907 0.034 1 1463 144 144 ASN H H 9.150 0.003 1 1464 144 144 ASN HA H 4.437 0.001 1 1465 144 144 ASN HB2 H 2.880 0.004 1 1466 144 144 ASN HB3 H 2.880 0.004 1 1467 144 144 ASN HD21 H 7.007 0.000 1 1468 144 144 ASN HD22 H 7.686 0.000 1 1469 144 144 ASN C C 175.619 0.000 1 1470 144 144 ASN CA C 55.861 0.055 1 1471 144 144 ASN CB C 37.668 0.084 1 1472 144 144 ASN N N 119.410 0.029 1 1473 144 144 ASN ND2 N 113.367 0.000 1 1474 145 145 ALA H H 8.117 0.006 1 1475 145 145 ALA HA H 4.488 0.001 1 1476 145 145 ALA HB H 1.333 0.004 1 1477 145 145 ALA C C 176.870 0.000 1 1478 145 145 ALA CA C 51.895 0.038 1 1479 145 145 ALA CB C 19.675 0.088 1 1480 145 145 ALA N N 121.269 0.026 1 1481 146 146 GLY H H 7.521 0.002 1 1482 146 146 GLY HA2 H 3.492 0.004 2 1483 146 146 GLY HA3 H 4.490 0.002 2 1484 146 146 GLY C C 173.080 0.000 1 1485 146 146 GLY CA C 44.246 0.071 1 1486 146 146 GLY N N 107.658 0.041 1 1487 147 147 LEU H H 8.697 0.004 1 1488 147 147 LEU HA H 4.769 0.007 1 1489 147 147 LEU HB2 H 1.589 0.020 2 1490 147 147 LEU HB3 H 1.633 0.015 2 1491 147 147 LEU HG H 1.745 0.006 1 1492 147 147 LEU HD1 H 0.792 0.002 1 1493 147 147 LEU HD2 H 0.792 0.002 1 1494 147 147 LEU C C 177.864 0.000 1 1495 147 147 LEU CA C 55.260 0.094 1 1496 147 147 LEU CB C 42.260 0.043 1 1497 147 147 LEU CG C 27.196 0.035 1 1498 147 147 LEU CD1 C 26.282 0.000 2 1499 147 147 LEU CD2 C 25.261 0.000 2 1500 147 147 LEU N N 123.461 0.037 1 1501 148 148 MET H H 8.696 0.004 1 1502 148 148 MET HA H 4.533 0.004 1 1503 148 148 MET HB2 H 1.780 0.003 2 1504 148 148 MET HB3 H 1.969 0.002 2 1505 148 148 MET HG2 H 2.442 0.005 2 1506 148 148 MET HG3 H 2.509 0.022 2 1507 148 148 MET C C 175.750 0.000 1 1508 148 148 MET CA C 55.638 0.048 1 1509 148 148 MET CB C 34.041 0.066 1 1510 148 148 MET CG C 32.776 0.039 1 1511 148 148 MET N N 125.487 0.036 1 1512 149 149 GLY H H 8.507 0.002 1 1513 149 149 GLY HA2 H 4.330 0.004 2 1514 149 149 GLY HA3 H 3.753 0.003 2 1515 149 149 GLY C C 173.411 0.000 1 1516 149 149 GLY CA C 44.984 0.079 1 1517 149 149 GLY N N 112.099 0.025 1 1518 150 150 ASP H H 8.218 0.003 1 1519 150 150 ASP HA H 4.530 0.003 1 1520 150 150 ASP HB2 H 2.595 0.001 2 1521 150 150 ASP HB3 H 2.681 0.004 2 1522 150 150 ASP C C 174.633 0.000 1 1523 150 150 ASP CA C 54.344 0.040 1 1524 150 150 ASP CB C 40.591 0.059 1 1525 150 150 ASP N N 118.286 0.037 1 1526 151 151 VAL H H 6.973 0.003 1 1527 151 151 VAL HA H 4.300 0.001 1 1528 151 151 VAL HB H 1.940 0.003 1 1529 151 151 VAL HG1 H 0.755 0.013 2 1530 151 151 VAL HG2 H 0.747 0.003 2 1531 151 151 VAL C C 173.545 0.000 1 1532 151 151 VAL CA C 60.156 0.075 1 1533 151 151 VAL CB C 33.976 0.082 1 1534 151 151 VAL CG1 C 20.868 0.000 2 1535 151 151 VAL CG2 C 20.326 0.061 2 1536 151 151 VAL N N 117.934 0.036 1 1537 152 152 SER H H 8.341 0.002 1 1538 152 152 SER HA H 4.653 0.005 1 1539 152 152 SER HB2 H 3.825 0.000 2 1540 152 152 SER HB3 H 3.867 0.006 2 1541 152 152 SER C C 175.682 0.000 1 1542 152 152 SER CA C 57.041 0.090 1 1543 152 152 SER CB C 63.495 0.059 1 1544 152 152 SER N N 119.443 0.021 1 1545 153 153 ILE H H 8.833 0.005 1 1546 153 153 ILE HA H 4.325 0.004 1 1547 153 153 ILE HB H 1.892 0.003 1 1548 153 153 ILE HG12 H 1.323 0.006 1 1549 153 153 ILE HG13 H 1.323 0.006 1 1550 153 153 ILE HG2 H 0.858 0.006 1 1551 153 153 ILE HD1 H 0.701 0.010 1 1552 153 153 ILE C C 176.854 0.000 1 1553 153 153 ILE CA C 59.185 0.094 1 1554 153 153 ILE CB C 39.263 0.060 1 1555 153 153 ILE CG1 C 27.711 0.010 1 1556 153 153 ILE CG2 C 18.407 0.074 1 1557 153 153 ILE CD1 C 13.593 0.055 1 1558 153 153 ILE N N 123.849 0.068 1 1559 154 154 SER H H 8.015 0.003 1 1560 154 154 SER HA H 4.166 0.000 1 1561 154 154 SER HB2 H 3.818 0.000 1 1562 154 154 SER HB3 H 3.818 0.000 1 1563 154 154 SER HG H 3.942 0.000 1 1564 154 154 SER C C 174.456 0.000 1 1565 154 154 SER CA C 60.418 0.050 1 1566 154 154 SER CB C 62.603 0.079 1 1567 154 154 SER N N 120.291 0.052 1 1568 155 155 GLY H H 8.784 0.004 1 1569 155 155 GLY HA2 H 4.340 0.008 2 1570 155 155 GLY HA3 H 3.555 0.006 2 1571 155 155 GLY C C 174.539 0.000 1 1572 155 155 GLY CA C 44.649 0.097 1 1573 155 155 GLY N N 114.483 0.040 1 1574 156 156 THR H H 7.751 0.003 1 1575 156 156 THR HA H 4.299 0.005 1 1576 156 156 THR HB H 4.066 0.006 1 1577 156 156 THR HG2 H 1.268 0.004 1 1578 156 156 THR C C 173.161 0.000 1 1579 156 156 THR CA C 64.593 0.071 1 1580 156 156 THR CB C 69.390 0.065 1 1581 156 156 THR CG2 C 20.928 0.088 1 1582 156 156 THR N N 119.292 0.024 1 1583 157 157 LYS H H 8.728 0.016 1 1584 157 157 LYS HA H 5.245 0.022 1 1585 157 157 LYS HB2 H 1.682 0.003 2 1586 157 157 LYS HB3 H 1.856 0.005 2 1587 157 157 LYS HG2 H 1.260 0.006 2 1588 157 157 LYS HG3 H 1.349 0.004 2 1589 157 157 LYS HD2 H 1.619 0.008 1 1590 157 157 LYS HD3 H 1.619 0.008 1 1591 157 157 LYS HE2 H 2.856 0.005 2 1592 157 157 LYS HE3 H 2.856 0.005 2 1593 157 157 LYS C C 175.396 0.000 1 1594 157 157 LYS CA C 55.388 0.094 1 1595 157 157 LYS CB C 35.711 0.053 1 1596 157 157 LYS CG C 25.501 0.044 1 1597 157 157 LYS CD C 29.356 0.065 1 1598 157 157 LYS CE C 42.011 0.085 1 1599 157 157 LYS N N 129.666 0.026 1 1600 158 158 VAL H H 9.421 0.006 1 1601 158 158 VAL HA H 5.264 0.005 1 1602 158 158 VAL HB H 2.481 0.007 1 1603 158 158 VAL HG1 H 0.998 0.006 2 1604 158 158 VAL HG2 H 1.363 0.010 2 1605 158 158 VAL C C 175.890 0.000 1 1606 158 158 VAL CA C 61.119 0.062 1 1607 158 158 VAL CB C 35.620 0.037 1 1608 158 158 VAL CG1 C 20.958 0.031 2 1609 158 158 VAL CG2 C 24.021 0.120 2 1610 158 158 VAL N N 125.023 0.035 1 1611 159 159 THR H H 9.519 0.006 1 1612 159 159 THR HA H 5.046 0.010 1 1613 159 159 THR HB H 4.303 0.006 1 1614 159 159 THR HG2 H 1.308 0.019 1 1615 159 159 THR C C 173.535 0.000 1 1616 159 159 THR CA C 60.262 0.048 1 1617 159 159 THR CB C 71.993 0.068 1 1618 159 159 THR CG2 C 22.013 0.157 1 1619 159 159 THR N N 120.650 0.036 1 1620 160 160 LYS H H 8.895 0.003 1 1621 160 160 LYS HA H 4.045 0.003 1 1622 160 160 LYS HB2 H 1.763 0.004 2 1623 160 160 LYS HB3 H 1.705 0.008 2 1624 160 160 LYS HG2 H 1.339 0.005 2 1625 160 160 LYS HG3 H 1.247 0.007 2 1626 160 160 LYS HD2 H 1.677 0.001 1 1627 160 160 LYS HD3 H 1.677 0.001 1 1628 160 160 LYS HE2 H 3.029 0.005 1 1629 160 160 LYS HE3 H 3.029 0.005 1 1630 160 160 LYS C C 176.387 0.000 1 1631 160 160 LYS CA C 57.756 0.062 1 1632 160 160 LYS CB C 33.825 0.047 1 1633 160 160 LYS CG C 25.485 0.067 1 1634 160 160 LYS CD C 29.690 0.105 1 1635 160 160 LYS CE C 42.318 0.125 1 1636 160 160 LYS N N 125.221 0.029 1 1637 161 161 LEU H H 8.519 0.003 1 1638 161 161 LEU HA H 4.499 0.002 1 1639 161 161 LEU HB2 H 1.262 0.004 2 1640 161 161 LEU HB3 H 1.395 0.006 2 1641 161 161 LEU HG H 1.360 0.004 1 1642 161 161 LEU HD1 H 0.872 0.004 2 1643 161 161 LEU HD2 H 0.868 0.008 2 1644 161 161 LEU C C 176.237 0.000 1 1645 161 161 LEU CA C 53.567 0.060 1 1646 161 161 LEU CB C 44.282 0.040 1 1647 161 161 LEU CG C 27.051 0.093 1 1648 161 161 LEU CD1 C 24.324 0.100 2 1649 161 161 LEU CD2 C 24.403 0.101 2 1650 161 161 LEU N N 128.050 0.024 1 1651 162 162 LYS H H 8.835 0.003 1 1652 162 162 LYS HA H 4.462 0.005 1 1653 162 162 LYS HB2 H 1.690 0.003 2 1654 162 162 LYS HB3 H 1.853 0.005 2 1655 162 162 LYS HG2 H 1.392 0.036 2 1656 162 162 LYS HG3 H 1.339 0.036 2 1657 162 162 LYS HD2 H 1.686 0.000 1 1658 162 162 LYS HD3 H 1.686 0.000 1 1659 162 162 LYS HE2 H 2.993 0.005 2 1660 162 162 LYS HE3 H 2.992 0.005 2 1661 162 162 LYS C C 175.278 0.000 1 1662 162 162 LYS CA C 55.760 0.078 1 1663 162 162 LYS CB C 30.282 0.035 1 1664 162 162 LYS CG C 24.954 0.096 1 1665 162 162 LYS CD C 29.392 0.062 1 1666 162 162 LYS CE C 42.024 0.121 1 1667 162 162 LYS N N 128.689 0.016 1 1668 163 163 ILE H H 7.081 0.003 1 1669 163 163 ILE HA H 4.220 0.001 1 1670 163 163 ILE HB H 1.814 0.004 1 1671 163 163 ILE HG12 H 0.699 0.011 2 1672 163 163 ILE HG13 H 0.923 0.008 2 1673 163 163 ILE HG2 H 0.694 0.006 1 1674 163 163 ILE HD1 H 0.312 0.006 1 1675 163 163 ILE CA C 61.892 0.038 1 1676 163 163 ILE CB C 41.127 0.049 1 1677 163 163 ILE CG1 C 25.186 0.068 1 1678 163 163 ILE CG2 C 17.746 0.053 1 1679 163 163 ILE CD1 C 14.471 0.034 1 1680 163 163 ILE N N 124.109 0.037 1 stop_ save_