data_12032 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR structure of the W187R mutant of 1918 NS1 effector domain ; _BMRB_accession_number 12032 _BMRB_flat_file_name bmr12032.str _Entry_type original _Submission_date 2019-01-31 _Accession_date 2019-02-03 _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 Shen Qingliang . . 2 Cho Jae-Hyun . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 620 "13C chemical shifts" 482 "15N chemical shifts" 120 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-09-10 original BMRB . stop_ _Original_release_date 2019-02-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The structure and conformational plasticity of the nonstructural protein 1 of the 1918 influenza A virus. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31420169 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shen Qingliang . . 2 Cho Jae-Hyun . . stop_ _Journal_abbreviation 'Biochem. Biophys. Res. Commun.' _Journal_name_full 'Biochemical and biophysical research communications' _Journal_volume 518 _Journal_issue 1 _Journal_ISSN 0006-291X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 178 _Page_last 182 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'NS1 effector domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'NS1 effector domain' $NS1_effector_domain 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_NS1_effector_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NS1_effector_domain _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; SRYLTDMTLEEMSRDWFMLM PKQKVAGSLCIRMDQAIMDK NIILKANFSVIFDRLETLIL LRAFTEEGAIVGEISPLPSL PGHTDEDVKNAVGVLIGGLE RNDNTVRVSETLQRFAWRS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 87 SER 2 88 ARG 3 89 TYR 4 90 LEU 5 91 THR 6 92 ASP 7 93 MET 8 94 THR 9 95 LEU 10 96 GLU 11 97 GLU 12 98 MET 13 99 SER 14 100 ARG 15 101 ASP 16 102 TRP 17 103 PHE 18 104 MET 19 105 LEU 20 106 MET 21 107 PRO 22 108 LYS 23 109 GLN 24 110 LYS 25 111 VAL 26 112 ALA 27 113 GLY 28 114 SER 29 115 LEU 30 116 CYS 31 117 ILE 32 118 ARG 33 119 MET 34 120 ASP 35 121 GLN 36 122 ALA 37 123 ILE 38 124 MET 39 125 ASP 40 126 LYS 41 127 ASN 42 128 ILE 43 129 ILE 44 130 LEU 45 131 LYS 46 132 ALA 47 133 ASN 48 134 PHE 49 135 SER 50 136 VAL 51 137 ILE 52 138 PHE 53 139 ASP 54 140 ARG 55 141 LEU 56 142 GLU 57 143 THR 58 144 LEU 59 145 ILE 60 146 LEU 61 147 LEU 62 148 ARG 63 149 ALA 64 150 PHE 65 151 THR 66 152 GLU 67 153 GLU 68 154 GLY 69 155 ALA 70 156 ILE 71 157 VAL 72 158 GLY 73 159 GLU 74 160 ILE 75 161 SER 76 162 PRO 77 163 LEU 78 164 PRO 79 165 SER 80 166 LEU 81 167 PRO 82 168 GLY 83 169 HIS 84 170 THR 85 171 ASP 86 172 GLU 87 173 ASP 88 174 VAL 89 175 LYS 90 176 ASN 91 177 ALA 92 178 VAL 93 179 GLY 94 180 VAL 95 181 LEU 96 182 ILE 97 183 GLY 98 184 GLY 99 185 LEU 100 186 GLU 101 187 ARG 102 188 ASN 103 189 ASP 104 190 ASN 105 191 THR 106 192 VAL 107 193 ARG 108 194 VAL 109 195 SER 110 196 GLU 111 197 THR 112 198 LEU 113 199 GLN 114 200 ARG 115 201 PHE 116 202 ALA 117 203 TRP 118 204 ARG 119 205 SER 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 $NS1_effector_domain 'E. coli' 562 Bacteria . Escherichia coli 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 $NS1_effector_domain 'recombinant technology' . Escherichia coli . pET-SUMO stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $NS1_effector_domain . mM 0.1 0.2 '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 20 mM . . 'natural abundance' 'sodium chloride' 80 mM . . 'natural abundance' DTT 1 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . [U-2H] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $NS1_effector_domain . mM 0.1 0.15 '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 20 mM . . 'natural abundance' 'sodium chloride' 80 mM . . 'natural abundance' DTT 1 mM . . 'natural abundance' D2O 100 % . . [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 'NMRFAM-Sparky 1.3' loop_ _Vendor _Address _Electronic_address Goddard . . 'National Magnetic Resonance Facility at Madison' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _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_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_2 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' 80 . mM pH 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' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CO)CA' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D 1H-15N 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 'NS1 effector domain' _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 87 1 SER H H 8.254 0.00 . 2 87 1 SER HA H 4.603 0.01 . 3 87 1 SER HB2 H 3.669 0.00 . 4 87 1 SER HB3 H 3.669 0.00 . 5 87 1 SER C C 173.608 0.00 . 6 87 1 SER CA C 58.413 0.07 . 7 87 1 SER CB C 63.875 0.06 . 8 87 1 SER N N 116.621 0.00 . 9 88 2 ARG H H 8.474 0.02 . 10 88 2 ARG HA H 4.498 0.02 . 11 88 2 ARG HB2 H 1.645 0.01 . 12 88 2 ARG HB3 H 1.658 0.01 . 13 88 2 ARG HD2 H 3.122 0.02 . 14 88 2 ARG HD3 H 3.106 0.02 . 15 88 2 ARG HE H 7.414 0.00 . 16 88 2 ARG HG2 H 1.460 0.02 . 17 88 2 ARG HG3 H 1.452 0.02 . 18 88 2 ARG C C 174.089 0.00 . 19 88 2 ARG CA C 55.193 0.16 . 20 88 2 ARG CB C 32.438 0.08 . 21 88 2 ARG CD C 43.470 0.13 . 22 88 2 ARG CG C 27.057 0.06 . 23 88 2 ARG N N 122.298 0.12 . 24 88 2 ARG NE N 115.550 0.00 . 25 89 3 TYR H H 8.497 0.01 . 26 89 3 TYR HA H 4.797 0.02 . 27 89 3 TYR HB2 H 2.759 0.02 . 28 89 3 TYR HB3 H 2.759 0.02 . 29 89 3 TYR HD1 H 6.917 0.01 . 30 89 3 TYR HD2 H 6.917 0.01 . 31 89 3 TYR HE1 H 6.708 0.01 . 32 89 3 TYR HE2 H 6.708 0.01 . 33 89 3 TYR C C 174.583 0.00 . 34 89 3 TYR CA C 57.549 0.00 . 35 89 3 TYR CB C 39.512 0.02 . 36 89 3 TYR CD1 C 132.600 0.03 . 37 89 3 TYR CD2 C 132.600 0.03 . 38 89 3 TYR CE1 C 118.277 0.03 . 39 89 3 TYR CE2 C 118.277 0.03 . 40 89 3 TYR N N 121.022 0.08 . 41 90 4 LEU H H 8.837 0.01 . 42 90 4 LEU HA H 4.442 0.01 . 43 90 4 LEU HB2 H 1.222 0.01 . 44 90 4 LEU HB3 H 1.229 0.00 . 45 90 4 LEU HD1 H 0.925 0.01 . 46 90 4 LEU HD2 H 0.582 0.01 . 47 90 4 LEU HG H 1.227 0.01 . 48 90 4 LEU C C 175.480 0.00 . 49 90 4 LEU CA C 53.570 0.13 . 50 90 4 LEU CB C 41.846 0.00 . 51 90 4 LEU CD1 C 25.448 0.26 . 52 90 4 LEU CD2 C 24.057 0.10 . 53 90 4 LEU CG C 27.574 0.05 . 54 90 4 LEU N N 128.230 0.08 . 55 91 5 THR H H 8.429 0.01 . 56 91 5 THR HA H 4.719 0.02 . 57 91 5 THR HB H 4.115 0.01 . 58 91 5 THR HG2 H 0.876 0.02 . 59 91 5 THR CA C 57.311 0.10 . 60 91 5 THR CB C 70.657 0.07 . 61 91 5 THR CG2 C 20.905 0.06 . 62 91 5 THR N N 112.233 0.10 . 63 92 6 ASP H H 8.482 0.01 . 64 92 6 ASP HA H 4.669 0.01 . 65 92 6 ASP HB2 H 2.741 0.01 . 66 92 6 ASP HB3 H 2.744 0.00 . 67 92 6 ASP C C 177.833 0.00 . 68 92 6 ASP CA C 55.687 0.11 . 69 92 6 ASP CB C 43.190 0.09 . 70 92 6 ASP N N 124.517 0.09 . 71 93 7 MET H H 8.832 0.01 . 72 93 7 MET HA H 4.789 0.01 . 73 93 7 MET HB2 H 2.130 0.01 . 74 93 7 MET HB3 H 2.090 0.02 . 75 93 7 MET HE H 1.973 0.01 . 76 93 7 MET HG2 H 2.376 0.01 . 77 93 7 MET HG3 H 2.365 0.00 . 78 93 7 MET C C 177.312 0.00 . 79 93 7 MET CA C 55.033 0.00 . 80 93 7 MET CB C 37.279 0.07 . 81 93 7 MET CE C 18.095 0.02 . 82 93 7 MET CG C 34.577 0.14 . 83 93 7 MET N N 116.639 0.11 . 84 94 8 THR H H 8.902 0.01 . 85 94 8 THR HA H 4.321 0.01 . 86 94 8 THR HB H 4.746 0.02 . 87 94 8 THR HG2 H 1.277 0.01 . 88 94 8 THR C C 175.269 0.00 . 89 94 8 THR CA C 60.423 0.07 . 90 94 8 THR CB C 71.185 0.00 . 91 94 8 THR CG2 C 21.909 0.12 . 92 94 8 THR N N 113.205 0.08 . 93 95 9 LEU H H 8.636 0.01 . 94 95 9 LEU HA H 4.481 0.02 . 95 95 9 LEU HB2 H 1.653 0.01 . 96 95 9 LEU HB3 H 1.684 0.02 . 97 95 9 LEU HD1 H 0.916 0.02 . 98 95 9 LEU HD2 H 0.911 0.00 . 99 95 9 LEU C C 180.354 0.00 . 100 95 9 LEU CA C 58.416 0.15 . 101 95 9 LEU CB C 41.180 0.14 . 102 95 9 LEU CD1 C 24.016 0.15 . 103 95 9 LEU CD2 C 24.237 0.00 . 104 95 9 LEU N N 121.042 0.09 . 105 96 10 GLU H H 8.458 0.01 . 106 96 10 GLU HA H 3.951 0.00 . 107 96 10 GLU HB2 H 2.024 0.01 . 108 96 10 GLU HB3 H 2.029 0.01 . 109 96 10 GLU HG2 H 2.303 0.01 . 110 96 10 GLU HG3 H 2.287 0.01 . 111 96 10 GLU C C 178.724 0.00 . 112 96 10 GLU CA C 60.227 0.05 . 113 96 10 GLU CB C 28.833 0.00 . 114 96 10 GLU CD C 189.205 0.00 . 115 96 10 GLU CG C 36.115 0.12 . 116 96 10 GLU N N 120.477 0.14 . 117 97 11 GLU H H 7.681 0.01 . 118 97 11 GLU HA H 3.734 0.01 . 119 97 11 GLU HB2 H 2.033 0.01 . 120 97 11 GLU HB3 H 2.091 0.01 . 121 97 11 GLU HG2 H 2.371 0.01 . 122 97 11 GLU HG3 H 2.378 0.00 . 123 97 11 GLU C C 178.151 0.00 . 124 97 11 GLU CA C 59.988 0.20 . 125 97 11 GLU CB C 30.967 0.00 . 126 97 11 GLU CD C 183.071 0.00 . 127 97 11 GLU CG C 38.328 0.12 . 128 97 11 GLU N N 119.426 0.10 . 129 98 12 MET H H 7.877 0.01 . 130 98 12 MET HA H 4.044 0.01 . 131 98 12 MET HB2 H 2.030 0.01 . 132 98 12 MET HB3 H 2.233 0.01 . 133 98 12 MET HG2 H 2.688 0.01 . 134 98 12 MET HG3 H 2.457 0.02 . 135 98 12 MET C C 175.861 0.00 . 136 98 12 MET CA C 58.316 0.04 . 137 98 12 MET CB C 34.247 0.04 . 138 98 12 MET CG C 32.424 0.05 . 139 98 12 MET N N 113.874 0.09 . 140 99 13 SER H H 7.584 0.01 . 141 99 13 SER HA H 4.476 0.01 . 142 99 13 SER HB2 H 3.954 0.02 . 143 99 13 SER HB3 H 3.889 0.01 . 144 99 13 SER C C 175.200 0.00 . 145 99 13 SER CA C 58.524 0.07 . 146 99 13 SER CB C 64.824 0.11 . 147 99 13 SER N N 110.312 0.07 . 148 100 14 ARG H H 7.402 0.01 . 149 100 14 ARG HA H 4.111 0.01 . 150 100 14 ARG HB2 H 2.194 0.02 . 151 100 14 ARG HB3 H 2.152 0.01 . 152 100 14 ARG HD2 H 3.440 0.01 . 153 100 14 ARG HD3 H 3.226 0.01 . 154 100 14 ARG HG2 H 1.852 0.02 . 155 100 14 ARG HG3 H 1.856 0.01 . 156 100 14 ARG C C 176.247 0.00 . 157 100 14 ARG CA C 57.523 0.18 . 158 100 14 ARG CB C 31.382 0.04 . 159 100 14 ARG CD C 44.246 0.08 . 160 100 14 ARG CG C 25.859 0.10 . 161 100 14 ARG N N 124.808 0.07 . 162 101 15 ASP H H 8.650 0.00 . 163 101 15 ASP HA H 4.894 0.01 . 164 101 15 ASP HB2 H 2.629 0.00 . 165 101 15 ASP HB3 H 2.629 0.00 . 166 101 15 ASP C C 175.349 0.00 . 167 101 15 ASP CA C 54.445 0.08 . 168 101 15 ASP CB C 42.088 0.03 . 169 101 15 ASP CG C 182.162 0.00 . 170 101 15 ASP N N 124.493 0.10 . 171 102 16 TRP H H 8.239 0.00 . 172 102 16 TRP HA H 4.778 0.01 . 173 102 16 TRP HB2 H 3.356 0.01 . 174 102 16 TRP HB3 H 3.068 0.01 . 175 102 16 TRP HD1 H 7.200 0.02 . 176 102 16 TRP HE1 H 9.523 0.02 . 177 102 16 TRP HH2 H 6.590 0.03 . 178 102 16 TRP HZ2 H 6.955 0.01 . 179 102 16 TRP C C 172.821 0.00 . 180 102 16 TRP CA C 55.953 0.00 . 181 102 16 TRP CB C 30.618 0.04 . 182 102 16 TRP CD1 C 126.718 0.18 . 183 102 16 TRP CH2 C 122.293 0.02 . 184 102 16 TRP CZ2 C 112.553 0.10 . 185 102 16 TRP N N 118.599 0.12 . 186 102 16 TRP NE1 N 129.049 0.00 . 187 103 17 PHE H H 8.496 0.01 . 188 103 17 PHE HA H 4.412 0.01 . 189 103 17 PHE HB2 H 2.912 0.02 . 190 103 17 PHE HB3 H 2.836 0.02 . 191 103 17 PHE HD1 H 7.084 0.01 . 192 103 17 PHE HD2 H 7.084 0.01 . 193 103 17 PHE HE1 H 7.275 0.00 . 194 103 17 PHE HE2 H 7.275 0.00 . 195 103 17 PHE C C 173.659 0.00 . 196 103 17 PHE CA C 56.176 0.04 . 197 103 17 PHE CB C 41.998 0.07 . 198 103 17 PHE CD1 C 132.150 0.07 . 199 103 17 PHE CD2 C 132.150 0.07 . 200 103 17 PHE N N 119.339 0.11 . 201 104 18 MET H H 8.127 0.01 . 202 104 18 MET HA H 4.373 0.00 . 203 104 18 MET HB2 H 1.695 0.00 . 204 104 18 MET HB3 H 1.711 0.01 . 205 104 18 MET HG2 H 2.157 0.02 . 206 104 18 MET HG3 H 2.121 0.02 . 207 104 18 MET C C 174.740 0.00 . 208 104 18 MET CA C 53.967 0.04 . 209 104 18 MET CB C 36.056 0.00 . 210 104 18 MET CG C 34.225 0.00 . 211 104 18 MET N N 119.888 0.09 . 212 105 19 LEU H H 9.566 0.00 . 213 105 19 LEU HA H 4.174 0.01 . 214 105 19 LEU HB2 H 1.903 0.01 . 215 105 19 LEU HB3 H 1.898 0.00 . 216 105 19 LEU HD1 H 0.967 0.02 . 217 105 19 LEU HD2 H 0.950 0.02 . 218 105 19 LEU HG H 1.647 0.02 . 219 105 19 LEU C C 178.679 0.00 . 220 105 19 LEU CA C 57.428 0.04 . 221 105 19 LEU CB C 42.147 0.04 . 222 105 19 LEU CD1 C 24.356 0.14 . 223 105 19 LEU CD2 C 24.334 0.14 . 224 105 19 LEU CG C 27.275 0.12 . 225 105 19 LEU N N 127.061 0.08 . 226 106 20 MET H H 8.856 0.01 . 227 106 20 MET HA H 4.900 0.01 . 228 106 20 MET HB2 H 1.760 0.01 . 229 106 20 MET HB3 H 1.757 0.00 . 230 106 20 MET HE H 1.067 0.00 . 231 106 20 MET HG2 H 2.508 0.03 . 232 106 20 MET HG3 H 2.477 0.02 . 233 106 20 MET CA C 52.487 0.07 . 234 106 20 MET CB C 34.676 0.05 . 235 106 20 MET N N 119.224 0.08 . 236 107 21 PRO HA H 4.682 0.01 . 237 107 21 PRO HB2 H 2.179 0.01 . 238 107 21 PRO HB3 H 1.849 0.01 . 239 107 21 PRO HD2 H 3.674 0.02 . 240 107 21 PRO HD3 H 3.644 0.00 . 241 107 21 PRO HG2 H 2.019 0.00 . 242 107 21 PRO HG3 H 2.019 0.00 . 243 107 21 PRO C C 177.518 0.00 . 244 107 21 PRO CA C 64.374 0.03 . 245 107 21 PRO CB C 33.560 0.12 . 246 107 21 PRO CD C 50.581 0.00 . 247 107 21 PRO CG C 26.964 0.00 . 248 108 22 LYS H H 8.336 0.01 . 249 108 22 LYS HA H 4.558 0.01 . 250 108 22 LYS HB2 H 1.950 0.02 . 251 108 22 LYS HB3 H 1.923 0.01 . 252 108 22 LYS HD2 H 1.684 0.01 . 253 108 22 LYS HD3 H 1.726 0.02 . 254 108 22 LYS HE2 H 2.902 0.02 . 255 108 22 LYS HE3 H 2.946 0.01 . 256 108 22 LYS HG2 H 1.356 0.02 . 257 108 22 LYS HG3 H 1.355 0.01 . 258 108 22 LYS C C 174.260 0.00 . 259 108 22 LYS CA C 55.751 0.10 . 260 108 22 LYS CB C 34.907 0.07 . 261 108 22 LYS CD C 29.127 0.10 . 262 108 22 LYS CE C 42.007 0.14 . 263 108 22 LYS CG C 24.807 0.03 . 264 108 22 LYS N N 123.397 0.11 . 265 109 23 GLN H H 8.754 0.01 . 266 109 23 GLN HA H 5.578 0.01 . 267 109 23 GLN HB2 H 1.932 0.00 . 268 109 23 GLN HB3 H 1.935 0.00 . 269 109 23 GLN HE21 H 6.831 0.00 . 270 109 23 GLN HE22 H 7.280 0.00 . 271 109 23 GLN HG2 H 2.103 0.03 . 272 109 23 GLN HG3 H 2.113 0.02 . 273 109 23 GLN C C 174.335 0.00 . 274 109 23 GLN CA C 54.278 0.09 . 275 109 23 GLN CB C 32.560 0.18 . 276 109 23 GLN CG C 34.652 0.14 . 277 109 23 GLN N N 125.822 0.08 . 278 109 23 GLN NE2 N 111.817 0.00 . 279 109 23 GLN CD C 190.624 0.00 . 280 110 24 LYS H H 9.319 0.01 . 281 110 24 LYS HA H 4.689 0.01 . 282 110 24 LYS HB2 H 1.821 0.01 . 283 110 24 LYS HB3 H 1.813 0.01 . 284 110 24 LYS HD2 H 1.658 0.02 . 285 110 24 LYS HD3 H 1.674 0.00 . 286 110 24 LYS HE2 H 2.957 0.02 . 287 110 24 LYS HE3 H 2.963 0.00 . 288 110 24 LYS HG2 H 1.351 0.01 . 289 110 24 LYS HG3 H 1.350 0.01 . 290 110 24 LYS C C 173.925 0.00 . 291 110 24 LYS CA C 54.780 0.12 . 292 110 24 LYS CB C 37.058 0.10 . 293 110 24 LYS CD C 29.169 0.00 . 294 110 24 LYS CE C 41.975 0.01 . 295 110 24 LYS CG C 24.823 0.03 . 296 110 24 LYS N N 125.697 0.11 . 297 111 25 VAL H H 8.599 0.01 . 298 111 25 VAL HA H 4.837 0.01 . 299 111 25 VAL HB H 1.946 0.01 . 300 111 25 VAL HG1 H 0.847 0.01 . 301 111 25 VAL HG2 H 0.886 0.02 . 302 111 25 VAL C C 175.406 0.00 . 303 111 25 VAL CA C 61.520 0.00 . 304 111 25 VAL CB C 33.457 0.07 . 305 111 25 VAL CG1 C 21.625 0.06 . 306 111 25 VAL CG2 C 21.645 0.17 . 307 111 25 VAL N N 123.048 0.12 . 308 112 26 ALA H H 8.789 0.01 . 309 112 26 ALA HA H 4.664 0.01 . 310 112 26 ALA HB H 1.215 0.01 . 311 112 26 ALA C C 176.868 0.00 . 312 112 26 ALA CA C 50.987 0.11 . 313 112 26 ALA CB C 20.145 0.03 . 314 112 26 ALA N N 131.503 0.12 . 315 113 27 GLY H H 8.856 0.00 . 316 113 27 GLY C C 173.712 0.00 . 317 113 27 GLY CA C 47.661 0.00 . 318 113 27 GLY N N 114.885 0.08 . 319 114 28 SER H H 8.305 0.00 . 320 114 28 SER HA H 4.408 0.02 . 321 114 28 SER C C 172.844 0.00 . 322 114 28 SER CA C 58.096 0.11 . 323 114 28 SER CB C 63.486 0.00 . 324 114 28 SER N N 116.077 0.17 . 325 115 29 LEU H H 7.921 0.01 . 326 115 29 LEU HA H 4.805 0.02 . 327 115 29 LEU HB2 H 1.897 0.01 . 328 115 29 LEU HB3 H 1.908 0.02 . 329 115 29 LEU HD1 H 0.284 0.00 . 330 115 29 LEU HD2 H 0.283 0.01 . 331 115 29 LEU HG H 0.520 0.02 . 332 115 29 LEU C C 173.892 0.00 . 333 115 29 LEU CA C 53.406 0.00 . 334 115 29 LEU CB C 44.385 0.07 . 335 115 29 LEU CD1 C 22.887 0.16 . 336 115 29 LEU CD2 C 22.941 0.15 . 337 115 29 LEU CG C 26.831 0.03 . 338 115 29 LEU N N 120.232 0.05 . 339 116 30 CYS H H 9.120 0.01 . 340 116 30 CYS HA H 4.813 0.01 . 341 116 30 CYS HB2 H 3.017 0.01 . 342 116 30 CYS HB3 H 2.639 0.01 . 343 116 30 CYS C C 173.475 0.00 . 344 116 30 CYS CA C 58.071 0.00 . 345 116 30 CYS CB C 27.989 0.08 . 346 116 30 CYS N N 121.385 0.09 . 347 117 31 ILE H H 9.385 0.01 . 348 117 31 ILE HA H 4.837 0.02 . 349 117 31 ILE HB H 1.834 0.01 . 350 117 31 ILE HD1 H 0.870 0.01 . 351 117 31 ILE HG12 H 1.075 0.01 . 352 117 31 ILE HG13 H 1.025 0.02 . 353 117 31 ILE HG2 H 0.805 0.01 . 354 117 31 ILE C C 175.051 0.00 . 355 117 31 ILE CA C 61.234 0.28 . 356 117 31 ILE CB C 40.534 0.06 . 357 117 31 ILE CD1 C 16.385 0.11 . 358 117 31 ILE CG1 C 29.266 0.07 . 359 117 31 ILE CG2 C 20.041 0.07 . 360 117 31 ILE N N 129.706 0.07 . 361 118 32 ARG H H 9.416 0.02 . 362 118 32 ARG HA H 5.551 0.02 . 363 118 32 ARG HB2 H 1.885 0.01 . 364 118 32 ARG HB3 H 1.904 0.01 . 365 118 32 ARG HD2 H 3.110 0.01 . 366 118 32 ARG HD3 H 3.083 0.00 . 367 118 32 ARG HE H 7.130 0.00 . 368 118 32 ARG HG2 H 1.630 0.02 . 369 118 32 ARG HG3 H 1.621 0.00 . 370 118 32 ARG C C 174.923 0.00 . 371 118 32 ARG CA C 54.436 0.08 . 372 118 32 ARG CB C 34.849 0.06 . 373 118 32 ARG CD C 44.013 0.06 . 374 118 32 ARG CG C 28.195 0.20 . 375 118 32 ARG N N 126.238 0.08 . 376 118 32 ARG NE N 114.531 0.00 . 377 119 33 MET H H 8.751 0.01 . 378 119 33 MET HA H 5.216 0.01 . 379 119 33 MET HB2 H 1.853 0.01 . 380 119 33 MET HB3 H 1.837 0.00 . 381 119 33 MET HG2 H 2.307 0.01 . 382 119 33 MET HG3 H 2.332 0.02 . 383 119 33 MET C C 172.370 0.00 . 384 119 33 MET CA C 55.141 0.03 . 385 119 33 MET CB C 36.225 0.01 . 386 119 33 MET CG C 31.087 0.23 . 387 119 33 MET N N 116.964 0.08 . 388 120 34 ASP H H 8.078 0.01 . 389 120 34 ASP HA H 4.751 0.02 . 390 120 34 ASP HB2 H 3.310 0.01 . 391 120 34 ASP HB3 H 2.536 0.01 . 392 120 34 ASP C C 177.690 0.00 . 393 120 34 ASP CA C 52.864 0.12 . 394 120 34 ASP CB C 42.341 0.07 . 395 120 34 ASP N N 119.490 0.10 . 396 121 35 GLN H H 9.259 0.01 . 397 121 35 GLN HA H 4.126 0.01 . 398 121 35 GLN HB2 H 2.146 0.02 . 399 121 35 GLN HB3 H 2.108 0.02 . 400 121 35 GLN HE21 H 7.051 0.01 . 401 121 35 GLN HE22 H 7.077 0.00 . 402 121 35 GLN HG2 H 2.533 0.01 . 403 121 35 GLN HG3 H 2.302 0.01 . 404 121 35 GLN C C 175.006 0.00 . 405 121 35 GLN CA C 57.158 0.11 . 406 121 35 GLN CB C 29.477 0.12 . 407 121 35 GLN CG C 35.455 0.10 . 408 121 35 GLN N N 126.124 0.12 . 409 121 35 GLN NE2 N 111.600 0.00 . 410 121 35 GLN CD C 182.715 0.00 . 411 122 36 ALA H H 8.557 0.01 . 412 122 36 ALA HA H 4.277 0.01 . 413 122 36 ALA HB H 1.441 0.01 . 414 122 36 ALA C C 177.692 0.00 . 415 122 36 ALA CA C 52.889 0.11 . 416 122 36 ALA CB C 20.557 0.06 . 417 122 36 ALA N N 119.662 0.10 . 418 123 37 ILE H H 6.701 0.01 . 419 123 37 ILE HA H 4.117 0.01 . 420 123 37 ILE HB H 2.042 0.01 . 421 123 37 ILE HG12 H 1.547 0.02 . 422 123 37 ILE HG13 H 1.484 0.02 . 423 123 37 ILE HG2 H 0.822 0.01 . 424 123 37 ILE C C 175.121 0.00 . 425 123 37 ILE CA C 58.930 0.03 . 426 123 37 ILE CB C 36.163 0.08 . 427 123 37 ILE CD1 C 13.329 0.00 . 428 123 37 ILE CG1 C 26.914 0.17 . 429 123 37 ILE CG2 C 16.788 0.03 . 430 123 37 ILE N N 116.962 0.11 . 431 124 38 MET H H 8.478 0.01 . 432 124 38 MET HA H 5.216 0.01 . 433 124 38 MET HB2 H 2.089 0.01 . 434 124 38 MET HB3 H 1.839 0.01 . 435 124 38 MET HG2 H 2.452 0.02 . 436 124 38 MET HG3 H 2.495 0.01 . 437 124 38 MET C C 175.267 0.00 . 438 124 38 MET CA C 54.954 0.10 . 439 124 38 MET CB C 37.287 0.09 . 440 124 38 MET CG C 31.561 0.06 . 441 124 38 MET N N 128.034 0.09 . 442 125 39 ASP H H 6.879 0.01 . 443 125 39 ASP HA H 4.504 0.01 . 444 125 39 ASP HB2 H 3.028 0.02 . 445 125 39 ASP HB3 H 2.688 0.01 . 446 125 39 ASP C C 175.475 0.00 . 447 125 39 ASP CA C 55.813 0.10 . 448 125 39 ASP CB C 39.805 0.14 . 449 125 39 ASP CG C 185.148 0.00 . 450 125 39 ASP N N 113.734 0.10 . 451 126 40 LYS H H 9.377 0.01 . 452 126 40 LYS HA H 4.856 0.01 . 453 126 40 LYS HB2 H 1.710 0.02 . 454 126 40 LYS HB3 H 1.717 0.02 . 455 126 40 LYS HG2 H 1.311 0.02 . 456 126 40 LYS HG3 H 1.330 0.00 . 457 126 40 LYS C C 175.959 0.00 . 458 126 40 LYS CA C 53.667 0.10 . 459 126 40 LYS CB C 34.515 0.15 . 460 126 40 LYS CD C 28.227 0.00 . 461 126 40 LYS CE C 42.534 0.00 . 462 126 40 LYS CG C 24.748 0.00 . 463 126 40 LYS N N 117.814 0.08 . 464 127 41 ASN H H 8.614 0.01 . 465 127 41 ASN HA H 5.307 0.01 . 466 127 41 ASN HB2 H 2.670 0.02 . 467 127 41 ASN HB3 H 2.686 0.01 . 468 127 41 ASN HD21 H 7.699 0.01 . 469 127 41 ASN HD22 H 6.857 0.01 . 470 127 41 ASN C C 174.666 0.00 . 471 127 41 ASN CA C 52.876 0.09 . 472 127 41 ASN CB C 39.306 0.08 . 473 127 41 ASN CG C 182.638 0.00 . 474 127 41 ASN N N 119.723 0.10 . 475 127 41 ASN ND2 N 113.607 0.08 . 476 128 42 ILE H H 9.084 0.01 . 477 128 42 ILE HA H 4.965 0.01 . 478 128 42 ILE HB H 1.633 0.02 . 479 128 42 ILE HD1 H 0.679 0.00 . 480 128 42 ILE HG12 H 1.297 0.02 . 481 128 42 ILE HG13 H 0.891 0.02 . 482 128 42 ILE HG2 H 0.652 0.01 . 483 128 42 ILE C C 174.241 0.00 . 484 128 42 ILE CA C 58.749 0.06 . 485 128 42 ILE CB C 41.143 0.13 . 486 128 42 ILE CD1 C 14.561 0.00 . 487 128 42 ILE CG1 C 28.399 0.09 . 488 128 42 ILE CG2 C 18.772 0.05 . 489 128 42 ILE N N 125.383 0.11 . 490 129 43 ILE H H 9.447 0.01 . 491 129 43 ILE HA H 5.207 0.01 . 492 129 43 ILE HB H 1.629 0.01 . 493 129 43 ILE HD1 H 0.759 0.01 . 494 129 43 ILE HG12 H 1.077 0.00 . 495 129 43 ILE HG13 H 1.107 0.02 . 496 129 43 ILE HG2 H 0.932 0.01 . 497 129 43 ILE C C 174.407 0.00 . 498 129 43 ILE CA C 57.705 0.04 . 499 129 43 ILE CB C 42.030 0.15 . 500 129 43 ILE CD1 C 14.282 0.02 . 501 129 43 ILE CG1 C 29.334 0.03 . 502 129 43 ILE CG2 C 17.569 0.02 . 503 129 43 ILE N N 126.961 0.09 . 504 130 44 LEU H H 8.567 0.01 . 505 130 44 LEU HA H 5.013 0.01 . 506 130 44 LEU HB2 H 1.827 0.01 . 507 130 44 LEU HB3 H 1.845 0.00 . 508 130 44 LEU HD1 H 0.611 0.02 . 509 130 44 LEU HD2 H 0.681 0.02 . 510 130 44 LEU HG H 1.172 0.02 . 511 130 44 LEU C C 174.541 0.00 . 512 130 44 LEU CA C 54.036 0.12 . 513 130 44 LEU CB C 41.994 0.03 . 514 130 44 LEU CD1 C 24.358 0.02 . 515 130 44 LEU CD2 C 25.377 0.07 . 516 130 44 LEU CG C 27.302 0.01 . 517 130 44 LEU N N 125.596 0.09 . 518 131 45 LYS H H 8.908 0.01 . 519 131 45 LYS HA H 4.934 0.01 . 520 131 45 LYS HB2 H 1.871 0.02 . 521 131 45 LYS HB3 H 1.853 0.00 . 522 131 45 LYS HD2 H 1.506 0.00 . 523 131 45 LYS HD3 H 1.506 0.00 . 524 131 45 LYS HG2 H 1.365 0.01 . 525 131 45 LYS HG3 H 1.352 0.00 . 526 131 45 LYS C C 174.727 0.00 . 527 131 45 LYS CA C 55.317 0.10 . 528 131 45 LYS CB C 37.185 0.00 . 529 131 45 LYS CD C 29.718 0.00 . 530 131 45 LYS CE C 41.563 0.00 . 531 131 45 LYS CG C 26.419 0.00 . 532 131 45 LYS N N 120.784 0.11 . 533 132 46 ALA H H 10.496 0.02 . 534 132 46 ALA HA H 5.512 0.01 . 535 132 46 ALA HB H 1.403 0.01 . 536 132 46 ALA C C 173.351 0.00 . 537 132 46 ALA CA C 51.558 0.07 . 538 132 46 ALA CB C 25.539 0.05 . 539 132 46 ALA N N 123.404 0.10 . 540 133 47 ASN H H 8.748 0.01 . 541 133 47 ASN HA H 5.807 0.01 . 542 133 47 ASN HB2 H 2.864 0.01 . 543 133 47 ASN HB3 H 2.710 0.03 . 544 133 47 ASN HD21 H 7.322 0.02 . 545 133 47 ASN HD22 H 7.312 0.00 . 546 133 47 ASN C C 174.869 0.00 . 547 133 47 ASN CA C 51.101 0.08 . 548 133 47 ASN CB C 38.916 0.21 . 549 133 47 ASN CG C 185.503 0.00 . 550 133 47 ASN N N 117.922 0.14 . 551 133 47 ASN ND2 N 110.129 0.00 . 552 134 48 PHE H H 9.071 0.01 . 553 134 48 PHE HA H 5.334 0.01 . 554 134 48 PHE HB2 H 3.325 0.01 . 555 134 48 PHE HB3 H 3.325 0.01 . 556 134 48 PHE HD1 H 6.835 0.01 . 557 134 48 PHE HD2 H 6.835 0.01 . 558 134 48 PHE HE1 H 6.844 0.01 . 559 134 48 PHE HE2 H 6.844 0.01 . 560 134 48 PHE C C 171.923 0.00 . 561 134 48 PHE CA C 56.379 0.09 . 562 134 48 PHE CB C 40.985 0.03 . 563 134 48 PHE CD1 C 132.810 0.12 . 564 134 48 PHE CD2 C 132.810 0.12 . 565 134 48 PHE CE1 C 130.371 0.18 . 566 134 48 PHE CE2 C 130.371 0.18 . 567 134 48 PHE N N 121.081 0.10 . 568 135 49 SER H H 9.580 0.00 . 569 135 49 SER HA H 5.475 0.01 . 570 135 49 SER HB2 H 4.693 0.01 . 571 135 49 SER HB3 H 4.693 0.01 . 572 135 49 SER C C 175.038 0.00 . 573 135 49 SER CA C 56.204 0.12 . 574 135 49 SER CB C 66.374 0.00 . 575 135 49 SER N N 115.150 0.08 . 576 136 50 VAL H H 8.703 0.01 . 577 136 50 VAL HA H 4.887 0.02 . 578 136 50 VAL HB H 1.548 0.01 . 579 136 50 VAL HG1 H 0.414 0.01 . 580 136 50 VAL HG2 H 0.397 0.01 . 581 136 50 VAL C C 174.781 0.00 . 582 136 50 VAL CA C 60.212 0.07 . 583 136 50 VAL CB C 36.080 0.03 . 584 136 50 VAL CG1 C 20.579 0.02 . 585 136 50 VAL CG2 C 21.670 0.03 . 586 136 50 VAL N N 118.739 0.14 . 587 137 51 ILE H H 8.747 0.01 . 588 137 51 ILE HA H 4.245 0.01 . 589 137 51 ILE HB H 1.538 0.01 . 590 137 51 ILE HD1 H 0.741 0.01 . 591 137 51 ILE HG12 H 1.169 0.01 . 592 137 51 ILE HG13 H 1.169 0.01 . 593 137 51 ILE C C 174.791 0.00 . 594 137 51 ILE CA C 59.978 0.06 . 595 137 51 ILE CB C 40.820 0.03 . 596 137 51 ILE CD1 C 13.664 0.07 . 597 137 51 ILE CG1 C 27.798 0.03 . 598 137 51 ILE CG2 C 16.800 0.00 . 599 137 51 ILE N N 123.290 0.11 . 600 138 52 PHE H H 8.759 0.00 . 601 138 52 PHE HA H 4.249 0.00 . 602 138 52 PHE HB2 H 3.240 0.03 . 603 138 52 PHE HB3 H 3.240 0.03 . 604 138 52 PHE HD1 H 7.279 0.00 . 605 138 52 PHE HD2 H 7.279 0.00 . 606 138 52 PHE HE1 H 7.335 0.00 . 607 138 52 PHE HE2 H 7.335 0.00 . 608 138 52 PHE C C 175.446 0.00 . 609 138 52 PHE CA C 61.216 0.00 . 610 138 52 PHE CB C 36.782 0.01 . 611 138 52 PHE CD1 C 132.002 0.02 . 612 138 52 PHE CD2 C 132.002 0.02 . 613 138 52 PHE N N 124.225 0.13 . 614 139 53 ASP HA H 4.571 0.01 . 615 139 53 ASP HB2 H 2.861 0.01 . 616 139 53 ASP HB3 H 2.861 0.01 . 617 139 53 ASP C C 174.900 0.00 . 618 139 53 ASP CB C 40.698 0.00 . 619 140 54 ARG H H 8.252 0.01 . 620 140 54 ARG HA H 5.128 0.00 . 621 140 54 ARG HB2 H 1.946 0.01 . 622 140 54 ARG HB3 H 1.946 0.01 . 623 140 54 ARG CB C 33.794 0.03 . 624 140 54 ARG N N 118.092 0.09 . 625 142 56 GLU H H 9.475 0.01 . 626 142 56 GLU HA H 4.216 0.00 . 627 142 56 GLU HB2 H 1.732 0.01 . 628 142 56 GLU HB3 H 1.732 0.01 . 629 142 56 GLU HG2 H 2.152 0.01 . 630 142 56 GLU HG3 H 2.152 0.01 . 631 142 56 GLU N N 129.542 0.10 . 632 144 58 LEU HA H 4.452 0.01 . 633 144 58 LEU HD1 H 0.602 0.01 . 634 144 58 LEU HD2 H 0.602 0.01 . 635 144 58 LEU HG H 1.772 0.01 . 636 144 58 LEU C C 175.062 0.00 . 637 144 58 LEU CA C 55.445 0.06 . 638 144 58 LEU CB C 43.977 0.00 . 639 144 58 LEU CD1 C 25.773 0.09 . 640 144 58 LEU CD2 C 26.050 0.00 . 641 144 58 LEU CG C 29.386 0.00 . 642 145 59 ILE H H 8.574 0.01 . 643 145 59 ILE HA H 4.183 0.01 . 644 145 59 ILE HB H 1.774 0.01 . 645 145 59 ILE HD1 H 0.842 0.02 . 646 145 59 ILE HG12 H 1.313 0.02 . 647 145 59 ILE HG13 H 1.606 0.02 . 648 145 59 ILE HG2 H 0.937 0.02 . 649 145 59 ILE C C 175.642 0.00 . 650 145 59 ILE CA C 63.189 0.11 . 651 145 59 ILE CB C 37.695 0.05 . 652 145 59 ILE CD1 C 12.512 0.12 . 653 145 59 ILE CG1 C 28.517 0.05 . 654 145 59 ILE CG2 C 17.551 0.06 . 655 145 59 ILE N N 127.380 0.12 . 656 146 60 LEU H H 7.769 0.01 . 657 146 60 LEU HA H 4.523 0.01 . 658 146 60 LEU HB2 H 1.515 0.02 . 659 146 60 LEU HB3 H 1.515 0.02 . 660 146 60 LEU HG H 1.239 0.02 . 661 146 60 LEU C C 173.116 0.00 . 662 146 60 LEU CA C 55.555 0.09 . 663 146 60 LEU CB C 46.552 0.02 . 664 146 60 LEU CD1 C 24.440 0.00 . 665 146 60 LEU CD2 C 24.440 0.00 . 666 146 60 LEU CG C 26.305 0.00 . 667 146 60 LEU N N 114.515 0.12 . 668 147 61 LEU H H 8.469 0.00 . 669 147 61 LEU HA H 5.511 0.02 . 670 147 61 LEU HB2 H 1.655 0.02 . 671 147 61 LEU HB3 H 1.647 0.02 . 672 147 61 LEU HD1 H 0.592 0.01 . 673 147 61 LEU HD2 H 0.570 0.01 . 674 147 61 LEU HG H 0.723 0.01 . 675 147 61 LEU C C 175.918 0.00 . 676 147 61 LEU CA C 54.302 0.04 . 677 147 61 LEU CB C 46.630 0.01 . 678 147 61 LEU CD1 C 23.875 0.00 . 679 147 61 LEU CD2 C 24.088 0.06 . 680 147 61 LEU CG C 29.080 0.06 . 681 147 61 LEU N N 127.733 0.12 . 682 148 62 ARG H H 9.480 0.01 . 683 148 62 ARG HA H 4.857 0.01 . 684 148 62 ARG HB2 H 1.951 0.02 . 685 148 62 ARG HB3 H 1.951 0.02 . 686 148 62 ARG C C 171.675 0.00 . 687 148 62 ARG CA C 55.689 0.11 . 688 148 62 ARG CB C 37.447 0.08 . 689 148 62 ARG CD C 43.695 0.00 . 690 148 62 ARG N N 125.339 0.08 . 691 149 63 ALA H H 7.758 0.01 . 692 149 63 ALA HA H 5.045 0.01 . 693 149 63 ALA HB H 0.784 0.01 . 694 149 63 ALA C C 174.907 0.00 . 695 149 63 ALA CA C 49.175 0.09 . 696 149 63 ALA CB C 20.463 0.03 . 697 149 63 ALA N N 124.104 0.09 . 698 150 64 PHE H H 9.170 0.01 . 699 150 64 PHE HA H 5.669 0.01 . 700 150 64 PHE HB2 H 2.962 0.02 . 701 150 64 PHE HB3 H 2.862 0.02 . 702 150 64 PHE HD1 H 7.078 0.02 . 703 150 64 PHE HD2 H 7.078 0.02 . 704 150 64 PHE C C 177.419 0.00 . 705 150 64 PHE CA C 56.046 0.08 . 706 150 64 PHE CB C 43.073 0.10 . 707 150 64 PHE N N 121.747 0.12 . 708 151 65 THR H H 9.450 0.01 . 709 151 65 THR HA H 4.989 0.02 . 710 151 65 THR HG2 H 1.267 0.01 . 711 151 65 THR C C 178.068 0.00 . 712 151 65 THR CA C 60.895 0.07 . 713 151 65 THR CB C 71.248 0.00 . 714 151 65 THR CG2 C 22.951 0.15 . 715 151 65 THR N N 111.678 0.07 . 716 152 66 GLU H H 9.199 0.01 . 717 152 66 GLU HA H 4.092 0.01 . 718 152 66 GLU HB2 H 2.165 0.01 . 719 152 66 GLU HB3 H 2.175 0.00 . 720 152 66 GLU HG2 H 2.341 0.02 . 721 152 66 GLU HG3 H 2.475 0.01 . 722 152 66 GLU C C 177.583 0.00 . 723 152 66 GLU CA C 59.426 0.12 . 724 152 66 GLU CB C 29.564 0.06 . 725 152 66 GLU CD C 189.718 0.00 . 726 152 66 GLU CG C 37.087 0.10 . 727 152 66 GLU N N 122.973 0.08 . 728 153 67 GLU H H 8.153 0.01 . 729 153 67 GLU HA H 4.389 0.01 . 730 153 67 GLU HB2 H 1.992 0.02 . 731 153 67 GLU HB3 H 2.006 0.01 . 732 153 67 GLU HG2 H 2.484 0.02 . 733 153 67 GLU HG3 H 2.262 0.02 . 734 153 67 GLU C C 177.004 0.00 . 735 153 67 GLU CA C 57.354 0.10 . 736 153 67 GLU CB C 29.474 0.01 . 737 153 67 GLU CD C 191.450 0.00 . 738 153 67 GLU CG C 37.268 0.07 . 739 153 67 GLU N N 115.782 0.11 . 740 154 68 GLY H H 8.159 0.01 . 741 154 68 GLY HA2 H 3.711 0.01 . 742 154 68 GLY HA3 H 4.427 0.01 . 743 154 68 GLY C C 173.704 0.00 . 744 154 68 GLY CA C 45.310 0.07 . 745 154 68 GLY N N 107.975 0.11 . 746 155 69 ALA H H 7.397 0.01 . 747 155 69 ALA HA H 4.477 0.01 . 748 155 69 ALA HB H 1.396 0.01 . 749 155 69 ALA C C 176.806 0.00 . 750 155 69 ALA CA C 51.732 0.14 . 751 155 69 ALA CB C 19.361 0.05 . 752 155 69 ALA N N 122.796 0.09 . 753 156 70 ILE H H 8.188 0.01 . 754 156 70 ILE HA H 4.047 0.01 . 755 156 70 ILE HB H 1.010 0.01 . 756 156 70 ILE HD1 H 0.715 0.01 . 757 156 70 ILE HG12 H 0.003 0.01 . 758 156 70 ILE HG13 H 0.015 0.01 . 759 156 70 ILE HG2 H -0.721 0.06 . 760 156 70 ILE C C 176.448 0.00 . 761 156 70 ILE CA C 61.227 0.06 . 762 156 70 ILE CB C 38.059 0.05 . 763 156 70 ILE CD1 C 15.474 0.03 . 764 156 70 ILE CG1 C 29.659 0.03 . 765 156 70 ILE CG2 C 16.744 0.02 . 766 156 70 ILE N N 122.727 0.08 . 767 157 71 VAL H H 8.151 0.01 . 768 157 71 VAL HA H 4.821 0.02 . 769 157 71 VAL HB H 2.452 0.01 . 770 157 71 VAL HG1 H 0.849 0.01 . 771 157 71 VAL HG2 H 0.506 0.01 . 772 157 71 VAL C C 174.249 0.00 . 773 157 71 VAL CA C 59.986 0.12 . 774 157 71 VAL CB C 33.964 0.06 . 775 157 71 VAL CG1 C 22.900 0.16 . 776 157 71 VAL CG2 C 18.691 0.03 . 777 157 71 VAL N N 114.589 0.09 . 778 158 72 GLY H H 6.742 0.01 . 779 158 72 GLY HA2 H 3.532 0.01 . 780 158 72 GLY HA3 H 4.702 0.01 . 781 158 72 GLY C C 170.918 0.00 . 782 158 72 GLY CA C 45.620 0.07 . 783 158 72 GLY N N 106.014 0.07 . 784 159 73 GLU H H 9.426 0.01 . 785 159 73 GLU HA H 5.222 0.01 . 786 159 73 GLU HB2 H 2.138 0.02 . 787 159 73 GLU HB3 H 2.147 0.03 . 788 159 73 GLU HG2 H 2.378 0.01 . 789 159 73 GLU HG3 H 2.393 0.00 . 790 159 73 GLU C C 174.167 0.00 . 791 159 73 GLU CA C 55.500 0.13 . 792 159 73 GLU CB C 37.166 0.12 . 793 159 73 GLU CD C 189.808 0.00 . 794 159 73 GLU CG C 38.697 0.05 . 795 159 73 GLU N N 120.794 0.09 . 796 160 74 ILE H H 9.044 0.01 . 797 160 74 ILE HA H 5.368 0.01 . 798 160 74 ILE HB H 1.604 0.02 . 799 160 74 ILE HD1 H 0.749 0.02 . 800 160 74 ILE HG2 H 0.668 0.01 . 801 160 74 ILE C C 174.118 0.00 . 802 160 74 ILE CA C 60.759 0.06 . 803 160 74 ILE CB C 40.949 0.02 . 804 160 74 ILE CD1 C 14.290 0.03 . 805 160 74 ILE CG1 C 27.422 0.00 . 806 160 74 ILE CG2 C 18.717 0.05 . 807 160 74 ILE N N 124.053 0.10 . 808 161 75 SER H H 8.970 0.01 . 809 161 75 SER HA H 5.209 0.02 . 810 161 75 SER CA C 54.211 0.00 . 811 161 75 SER CB C 65.390 0.00 . 812 161 75 SER N N 119.603 0.06 . 813 162 76 PRO HA H 4.888 0.02 . 814 162 76 PRO HB2 H 2.372 0.00 . 815 162 76 PRO HB3 H 2.361 0.01 . 816 162 76 PRO HD2 H 3.469 0.00 . 817 162 76 PRO HD3 H 3.453 0.00 . 818 162 76 PRO HG2 H 2.104 0.03 . 819 162 76 PRO HG3 H 2.074 0.01 . 820 162 76 PRO C C 177.061 0.00 . 821 162 76 PRO CA C 62.984 0.14 . 822 163 77 LEU H H 8.403 0.01 . 823 163 77 LEU N N 125.315 0.11 . 824 164 78 PRO HA H 4.721 0.01 . 825 164 78 PRO HB2 H 2.107 0.00 . 826 164 78 PRO HB3 H 2.111 0.00 . 827 164 78 PRO HD2 H 3.726 0.00 . 828 164 78 PRO HD3 H 3.726 0.00 . 829 164 78 PRO C C 176.029 0.00 . 830 164 78 PRO CA C 63.199 0.10 . 831 164 78 PRO CB C 30.357 0.00 . 832 164 78 PRO CD C 49.969 0.00 . 833 164 78 PRO CG C 26.983 0.00 . 834 165 79 SER H H 7.637 0.00 . 835 165 79 SER HA H 4.435 0.00 . 836 165 79 SER HB2 H 3.802 0.02 . 837 165 79 SER HB3 H 3.780 0.01 . 838 165 79 SER C C 172.820 0.00 . 839 165 79 SER CA C 57.543 0.00 . 840 165 79 SER CB C 64.902 0.10 . 841 165 79 SER N N 115.806 0.04 . 842 166 80 LEU H H 8.281 0.01 . 843 166 80 LEU HA H 4.468 0.00 . 844 166 80 LEU N N 122.546 0.02 . 845 167 81 PRO HA H 4.459 0.01 . 846 167 81 PRO HB2 H 2.332 0.02 . 847 167 81 PRO HB3 H 2.341 0.00 . 848 167 81 PRO HD2 H 3.691 0.01 . 849 167 81 PRO HD3 H 3.620 0.02 . 850 167 81 PRO HG2 H 2.021 0.01 . 851 167 81 PRO HG3 H 1.982 0.01 . 852 167 81 PRO C C 177.224 0.00 . 853 167 81 PRO CA C 63.683 0.12 . 854 167 81 PRO CB C 32.089 0.03 . 855 167 81 PRO CD C 50.493 0.02 . 856 167 81 PRO CG C 27.421 0.04 . 857 168 82 GLY H H 8.365 0.00 . 858 168 82 GLY HA2 H 3.874 0.01 . 859 168 82 GLY HA3 H 3.924 0.01 . 860 168 82 GLY C C 173.647 0.00 . 861 168 82 GLY CA C 45.742 0.12 . 862 168 82 GLY N N 107.616 0.03 . 863 169 83 HIS H H 7.695 0.01 . 864 169 83 HIS HA H 5.014 0.01 . 865 169 83 HIS HB2 H 3.468 0.01 . 866 169 83 HIS HB3 H 3.216 0.01 . 867 169 83 HIS HE1 H 7.839 0.01 . 868 169 83 HIS C C 174.782 0.00 . 869 169 83 HIS CA C 55.525 0.08 . 870 169 83 HIS CB C 30.615 0.05 . 871 169 83 HIS CE1 C 138.398 0.03 . 872 169 83 HIS N N 118.328 0.06 . 873 170 84 THR H H 9.287 0.02 . 874 170 84 THR HA H 4.982 0.01 . 875 170 84 THR HB H 4.788 0.01 . 876 170 84 THR HG2 H 1.340 0.01 . 877 170 84 THR C C 176.094 0.00 . 878 170 84 THR CA C 59.798 0.09 . 879 170 84 THR CB C 72.888 0.00 . 880 170 84 THR CG2 C 21.511 0.08 . 881 170 84 THR N N 110.819 0.11 . 882 171 85 ASP H H 9.156 0.01 . 883 171 85 ASP HA H 4.197 0.01 . 884 171 85 ASP HB2 H 3.156 0.01 . 885 171 85 ASP HB3 H 2.800 0.01 . 886 171 85 ASP C C 178.493 0.00 . 887 171 85 ASP CA C 57.505 0.02 . 888 171 85 ASP CB C 39.657 0.07 . 889 171 85 ASP CG C 180.995 0.00 . 890 171 85 ASP N N 120.298 0.09 . 891 172 86 GLU H H 8.033 0.02 . 892 172 86 GLU HA H 3.994 0.01 . 893 172 86 GLU HB2 H 1.994 0.02 . 894 172 86 GLU HB3 H 1.994 0.02 . 895 172 86 GLU HG2 H 2.309 0.00 . 896 172 86 GLU HG3 H 2.309 0.00 . 897 172 86 GLU C C 178.421 0.00 . 898 172 86 GLU CA C 59.126 0.08 . 899 172 86 GLU CB C 29.614 0.10 . 900 172 86 GLU CD C 189.413 0.00 . 901 172 86 GLU CG C 35.920 0.09 . 902 172 86 GLU N N 122.111 0.11 . 903 173 87 ASP H H 7.755 0.01 . 904 173 87 ASP HA H 4.443 0.02 . 905 173 87 ASP HB2 H 2.689 0.01 . 906 173 87 ASP HB3 H 2.689 0.01 . 907 173 87 ASP C C 179.237 0.00 . 908 173 87 ASP CA C 57.702 0.04 . 909 173 87 ASP CB C 41.099 0.00 . 910 173 87 ASP CG C 188.215 0.00 . 911 173 87 ASP N N 119.693 0.08 . 912 174 88 VAL H H 7.778 0.01 . 913 174 88 VAL HA H 3.233 0.01 . 914 174 88 VAL HB H 2.183 0.02 . 915 174 88 VAL HG1 H 0.961 0.01 . 916 174 88 VAL HG2 H 0.641 0.02 . 917 174 88 VAL C C 176.760 0.00 . 918 174 88 VAL CA C 67.168 0.05 . 919 174 88 VAL CB C 31.418 0.05 . 920 174 88 VAL CG1 C 24.463 0.01 . 921 174 88 VAL CG2 C 21.188 0.03 . 922 174 88 VAL N N 119.779 0.08 . 923 175 89 LYS H H 8.121 0.01 . 924 175 89 LYS HA H 3.735 0.01 . 925 175 89 LYS HB2 H 1.870 0.02 . 926 175 89 LYS HB3 H 1.870 0.02 . 927 175 89 LYS C C 179.607 0.00 . 928 175 89 LYS CA C 60.577 0.06 . 929 175 89 LYS CB C 32.103 0.05 . 930 175 89 LYS N N 119.923 0.08 . 931 176 90 ASN H H 8.326 0.01 . 932 176 90 ASN HB2 H 2.339 0.00 . 933 176 90 ASN HB3 H 2.873 0.02 . 934 176 90 ASN C C 177.632 0.00 . 935 176 90 ASN CA C 56.122 0.00 . 936 176 90 ASN CB C 38.233 0.12 . 937 176 90 ASN N N 117.497 0.10 . 938 177 91 ALA H H 8.416 0.01 . 939 177 91 ALA HA H 3.909 0.01 . 940 177 91 ALA HB H 1.442 0.01 . 941 177 91 ALA C C 178.847 0.00 . 942 177 91 ALA CA C 55.446 0.08 . 943 177 91 ALA CB C 19.464 0.05 . 944 177 91 ALA N N 123.264 0.09 . 945 178 92 VAL H H 8.780 0.01 . 946 178 92 VAL HA H 3.216 0.01 . 947 178 92 VAL HB H 2.099 0.01 . 948 178 92 VAL HG1 H 0.749 0.01 . 949 178 92 VAL HG2 H 0.491 0.02 . 950 178 92 VAL C C 177.566 0.00 . 951 178 92 VAL CA C 67.283 0.10 . 952 178 92 VAL CB C 31.111 0.07 . 953 178 92 VAL CG1 C 24.096 0.06 . 954 178 92 VAL CG2 C 21.886 0.02 . 955 178 92 VAL N N 118.813 0.10 . 956 179 93 GLY H H 7.920 0.01 . 957 179 93 GLY HA2 H 3.693 0.01 . 958 179 93 GLY HA3 H 4.039 0.02 . 959 179 93 GLY C C 177.374 0.00 . 960 179 93 GLY CA C 47.676 0.12 . 961 179 93 GLY N N 106.028 0.10 . 962 180 94 VAL H H 7.919 0.01 . 963 180 94 VAL HA H 3.708 0.01 . 964 180 94 VAL HB H 2.264 0.02 . 965 180 94 VAL HG1 H 0.850 0.02 . 966 180 94 VAL HG2 H 1.024 0.02 . 967 180 94 VAL C C 179.035 0.00 . 968 180 94 VAL CA C 66.040 0.10 . 969 180 94 VAL CB C 31.646 0.13 . 970 180 94 VAL CG1 C 21.466 0.06 . 971 180 94 VAL CG2 C 22.503 0.03 . 972 180 94 VAL N N 123.505 0.14 . 973 181 95 LEU H H 8.021 0.01 . 974 181 95 LEU HA H 4.032 0.01 . 975 181 95 LEU HB2 H 1.315 0.02 . 976 181 95 LEU HB3 H 1.315 0.02 . 977 181 95 LEU HD1 H 0.816 0.02 . 978 181 95 LEU HD2 H 0.611 0.02 . 979 181 95 LEU HG H 1.948 0.02 . 980 181 95 LEU C C 177.476 0.00 . 981 181 95 LEU CA C 58.155 0.16 . 982 181 95 LEU CB C 42.491 0.20 . 983 181 95 LEU CD1 C 23.557 0.10 . 984 181 95 LEU CD2 C 23.510 0.00 . 985 181 95 LEU CG C 27.068 0.09 . 986 181 95 LEU N N 122.424 0.14 . 987 182 96 ILE H H 8.947 0.01 . 988 182 96 ILE HA H 3.304 0.01 . 989 182 96 ILE HB H 1.628 0.01 . 990 182 96 ILE HD1 H 0.347 0.01 . 991 182 96 ILE HG2 H 0.756 0.02 . 992 182 96 ILE C C 178.026 0.00 . 993 182 96 ILE CA C 67.424 0.06 . 994 182 96 ILE CB C 38.024 0.03 . 995 182 96 ILE CD1 C 13.660 0.04 . 996 182 96 ILE CG1 C 30.419 0.00 . 997 182 96 ILE CG2 C 16.865 0.03 . 998 182 96 ILE N N 117.562 0.09 . 999 183 97 GLY H H 8.212 0.01 . 1000 183 97 GLY HA2 H 3.889 0.02 . 1001 183 97 GLY HA3 H 3.889 0.02 . 1002 183 97 GLY CA C 47.163 0.07 . 1003 183 97 GLY N N 104.895 0.05 . 1004 184 98 GLY H H 8.131 0.02 . 1005 184 98 GLY HA2 H 3.902 0.00 . 1006 184 98 GLY HA3 H 3.902 0.00 . 1007 184 98 GLY C C 176.243 0.00 . 1008 184 98 GLY CA C 47.170 0.00 . 1009 184 98 GLY N N 108.361 0.10 . 1010 185 99 LEU H H 8.185 0.01 . 1011 185 99 LEU HA H 4.210 0.01 . 1012 185 99 LEU HB2 H 0.949 0.01 . 1013 185 99 LEU HB3 H 1.964 0.02 . 1014 185 99 LEU HD1 H 0.744 0.01 . 1015 185 99 LEU HD2 H 0.744 0.01 . 1016 185 99 LEU HG H 0.565 0.00 . 1017 185 99 LEU C C 181.540 0.00 . 1018 185 99 LEU CA C 57.531 0.00 . 1019 185 99 LEU CB C 42.774 0.08 . 1020 185 99 LEU CD1 C 22.237 0.06 . 1021 185 99 LEU CD2 C 22.473 0.12 . 1022 185 99 LEU CG C 26.543 0.02 . 1023 185 99 LEU N N 121.496 0.10 . 1024 186 100 GLU H H 9.282 0.01 . 1025 186 100 GLU HA H 4.398 0.01 . 1026 186 100 GLU CA C 59.711 0.05 . 1027 186 100 GLU CB C 29.486 0.00 . 1028 186 100 GLU N N 121.822 0.11 . 1029 187 101 ARG HA H 4.216 0.01 . 1030 187 101 ARG HB2 H 1.990 0.02 . 1031 187 101 ARG HB3 H 1.990 0.02 . 1032 187 101 ARG HD2 H 3.266 0.01 . 1033 187 101 ARG HD3 H 3.266 0.01 . 1034 187 101 ARG HG2 H 1.797 0.01 . 1035 187 101 ARG HG3 H 1.787 0.00 . 1036 187 101 ARG C C 176.573 0.00 . 1037 187 101 ARG CA C 58.554 0.11 . 1038 187 101 ARG CB C 29.699 0.06 . 1039 187 101 ARG CD C 43.548 0.14 . 1040 187 101 ARG CG C 27.414 0.15 . 1041 188 102 ASN H H 6.968 0.01 . 1042 188 102 ASN HA H 5.108 0.01 . 1043 188 102 ASN HB2 H 2.491 0.01 . 1044 188 102 ASN HB3 H 3.638 0.02 . 1045 188 102 ASN HD21 H 7.915 0.01 . 1046 188 102 ASN HD22 H 6.564 0.00 . 1047 188 102 ASN C C 172.885 0.00 . 1048 188 102 ASN CA C 51.766 0.08 . 1049 188 102 ASN CB C 38.209 0.08 . 1050 188 102 ASN N N 118.004 0.14 . 1051 188 102 ASN ND2 N 112.188 0.00 . 1052 189 103 ASP H H 7.780 0.01 . 1053 189 103 ASP HA H 4.362 0.02 . 1054 189 103 ASP HB2 H 3.098 0.01 . 1055 189 103 ASP HB3 H 2.891 0.02 . 1056 189 103 ASP C C 175.214 0.00 . 1057 189 103 ASP CA C 56.088 0.12 . 1058 189 103 ASP CB C 38.323 0.10 . 1059 189 103 ASP CG C 185.938 0.00 . 1060 189 103 ASP N N 111.484 0.06 . 1061 190 104 ASN H H 7.116 0.01 . 1062 190 104 ASN HA H 5.340 0.01 . 1063 190 104 ASN HB2 H 1.979 0.01 . 1064 190 104 ASN HB3 H 2.416 0.01 . 1065 190 104 ASN HD21 H 7.590 0.02 . 1066 190 104 ASN HD22 H 6.789 0.01 . 1067 190 104 ASN C C 175.324 0.00 . 1068 190 104 ASN CA C 52.959 0.10 . 1069 190 104 ASN CB C 40.473 0.06 . 1070 190 104 ASN N N 112.683 0.08 . 1071 190 104 ASN ND2 N 113.958 0.00 . 1072 191 105 THR H H 8.797 0.01 . 1073 191 105 THR HA H 4.555 0.01 . 1074 191 105 THR HB H 4.224 0.01 . 1075 191 105 THR HG2 H 1.186 0.01 . 1076 191 105 THR C C 173.679 0.00 . 1077 191 105 THR CA C 62.147 0.06 . 1078 191 105 THR CB C 69.848 0.06 . 1079 191 105 THR CG2 C 21.366 0.10 . 1080 191 105 THR N N 119.031 0.07 . 1081 192 106 VAL H H 9.360 0.01 . 1082 192 106 VAL HA H 4.670 0.01 . 1083 192 106 VAL HB H 1.935 0.01 . 1084 192 106 VAL HG1 H 0.692 0.01 . 1085 192 106 VAL HG2 H 0.713 0.02 . 1086 192 106 VAL C C 174.737 0.00 . 1087 192 106 VAL CA C 61.465 0.06 . 1088 192 106 VAL CB C 33.349 0.12 . 1089 192 106 VAL CG1 C 22.913 0.16 . 1090 192 106 VAL CG2 C 22.952 0.15 . 1091 192 106 VAL N N 127.180 0.06 . 1092 193 107 ARG H H 9.007 0.01 . 1093 193 107 ARG HA H 4.807 0.02 . 1094 193 107 ARG HB2 H 1.796 0.02 . 1095 193 107 ARG HB3 H 1.793 0.01 . 1096 193 107 ARG HD2 H 3.181 0.02 . 1097 193 107 ARG HD3 H 3.178 0.02 . 1098 193 107 ARG HG2 H 1.545 0.02 . 1099 193 107 ARG HG3 H 1.524 0.02 . 1100 193 107 ARG C C 174.759 0.00 . 1101 193 107 ARG CA C 53.912 0.00 . 1102 193 107 ARG CB C 33.126 0.08 . 1103 193 107 ARG CD C 43.407 0.06 . 1104 193 107 ARG CG C 27.403 0.06 . 1105 193 107 ARG N N 127.608 0.05 . 1106 194 108 VAL H H 8.625 0.01 . 1107 194 108 VAL HA H 4.532 0.01 . 1108 194 108 VAL HB H 2.109 0.01 . 1109 194 108 VAL HG1 H 0.837 0.02 . 1110 194 108 VAL HG2 H 0.813 0.01 . 1111 194 108 VAL C C 175.791 0.00 . 1112 194 108 VAL CA C 60.440 0.06 . 1113 194 108 VAL CB C 34.306 0.19 . 1114 194 108 VAL CG1 C 22.259 0.10 . 1115 194 108 VAL CG2 C 20.153 0.03 . 1116 194 108 VAL N N 116.672 0.10 . 1117 195 109 SER H H 7.910 0.01 . 1118 195 109 SER HA H 4.394 0.01 . 1119 195 109 SER HB2 H 4.246 0.01 . 1120 195 109 SER HB3 H 4.238 0.01 . 1121 195 109 SER C C 174.358 0.00 . 1122 195 109 SER CA C 58.287 0.00 . 1123 195 109 SER CB C 64.270 0.05 . 1124 195 109 SER N N 120.256 0.06 . 1125 196 110 GLU H H 9.106 0.01 . 1126 196 110 GLU HA H 4.029 0.01 . 1127 196 110 GLU HB2 H 2.127 0.01 . 1128 196 110 GLU HB3 H 2.147 0.02 . 1129 196 110 GLU HG2 H 2.402 0.02 . 1130 196 110 GLU HG3 H 2.398 0.01 . 1131 196 110 GLU C C 179.229 0.00 . 1132 196 110 GLU CA C 59.895 0.07 . 1133 196 110 GLU CB C 29.498 0.10 . 1134 196 110 GLU CD C 190.119 0.00 . 1135 196 110 GLU CG C 36.648 0.10 . 1136 196 110 GLU N N 122.049 0.18 . 1137 197 111 THR H H 8.212 0.01 . 1138 197 111 THR HA H 4.085 0.02 . 1139 197 111 THR HB H 4.447 0.01 . 1140 197 111 THR HG2 H 1.412 0.01 . 1141 197 111 THR CA C 65.382 0.06 . 1142 197 111 THR CB C 67.497 0.06 . 1143 197 111 THR CG2 C 23.888 0.09 . 1144 197 111 THR N N 113.107 0.10 . 1145 198 112 LEU H H 7.925 0.01 . 1146 198 112 LEU C C 179.575 0.00 . 1147 198 112 LEU N N 123.330 0.13 . 1148 199 113 GLN H H 8.524 0.03 . 1149 199 113 GLN HA H 4.073 0.02 . 1150 199 113 GLN HB2 H 2.213 0.03 . 1151 199 113 GLN HB3 H 2.219 0.00 . 1152 199 113 GLN HE21 H 6.811 0.01 . 1153 199 113 GLN HE22 H 7.255 0.01 . 1154 199 113 GLN HG2 H 2.435 0.01 . 1155 199 113 GLN HG3 H 2.431 0.00 . 1156 199 113 GLN C C 177.330 0.00 . 1157 199 113 GLN CA C 59.194 0.06 . 1158 199 113 GLN CB C 28.836 0.00 . 1159 199 113 GLN CG C 34.269 0.07 . 1160 199 113 GLN N N 119.439 0.10 . 1161 199 113 GLN NE2 N 111.730 0.00 . 1162 200 114 ARG H H 7.574 0.01 . 1163 200 114 ARG HA H 3.986 0.01 . 1164 200 114 ARG HB2 H 1.697 0.01 . 1165 200 114 ARG HB3 H 1.479 0.01 . 1166 200 114 ARG HD2 H 2.942 0.02 . 1167 200 114 ARG HD3 H 2.936 0.00 . 1168 200 114 ARG HG2 H 1.152 0.01 . 1169 200 114 ARG HG3 H 0.882 0.02 . 1170 200 114 ARG C C 177.687 0.00 . 1171 200 114 ARG CA C 58.341 0.08 . 1172 200 114 ARG CB C 30.498 0.08 . 1173 200 114 ARG CD C 43.388 0.07 . 1174 200 114 ARG CG C 26.796 0.10 . 1175 200 114 ARG N N 115.665 0.05 . 1176 201 115 PHE H H 7.610 0.01 . 1177 201 115 PHE HA H 4.405 0.00 . 1178 201 115 PHE HB2 H 2.289 0.00 . 1179 201 115 PHE HB3 H 2.314 0.00 . 1180 201 115 PHE HD1 H 7.263 0.01 . 1181 201 115 PHE HD2 H 7.263 0.01 . 1182 201 115 PHE HE1 H 7.396 0.05 . 1183 201 115 PHE HE2 H 7.396 0.05 . 1184 201 115 PHE C C 177.148 0.00 . 1185 201 115 PHE CA C 59.721 0.00 . 1186 201 115 PHE CB C 36.763 0.00 . 1187 201 115 PHE CD1 C 131.417 0.22 . 1188 201 115 PHE CD2 C 131.417 0.22 . 1189 201 115 PHE CE1 C 131.736 0.12 . 1190 201 115 PHE CE2 C 131.736 0.12 . 1191 201 115 PHE N N 113.091 0.15 . 1192 202 116 ALA H H 8.463 0.02 . 1193 202 116 ALA HA H 4.531 0.01 . 1194 202 116 ALA HB H 1.037 0.01 . 1195 202 116 ALA C C 175.445 0.00 . 1196 202 116 ALA CA C 52.810 0.07 . 1197 202 116 ALA CB C 20.327 0.03 . 1198 202 116 ALA N N 120.825 0.17 . 1199 203 117 TRP H H 7.922 0.01 . 1200 203 117 TRP HA H 4.747 0.02 . 1201 203 117 TRP HB2 H 3.214 0.01 . 1202 203 117 TRP HB3 H 3.031 0.02 . 1203 203 117 TRP HD1 H 7.153 0.02 . 1204 203 117 TRP HE1 H 10.203 0.00 . 1205 203 117 TRP HE3 H 6.976 0.02 . 1206 203 117 TRP HH2 H 7.023 0.02 . 1207 203 117 TRP HZ2 H 7.362 0.03 . 1208 203 117 TRP HZ3 H 7.551 0.02 . 1209 203 117 TRP C C 174.920 0.00 . 1210 203 117 TRP CA C 57.399 0.05 . 1211 203 117 TRP CB C 30.616 0.05 . 1212 203 117 TRP CD1 C 126.867 0.09 . 1213 203 117 TRP CE3 C 127.904 0.05 . 1214 203 117 TRP CH2 C 123.924 0.04 . 1215 203 117 TRP CZ2 C 114.506 0.07 . 1216 203 117 TRP N N 119.121 0.11 . 1217 203 117 TRP NE1 N 129.354 0.00 . 1218 204 118 ARG H H 7.801 0.01 . 1219 204 118 ARG HA H 4.316 0.01 . 1220 204 118 ARG HB2 H 1.698 0.00 . 1221 204 118 ARG HB3 H 1.698 0.00 . 1222 204 118 ARG N N 121.591 0.10 . stop_ save_