data_18613 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure of Eph receptor ; _BMRB_accession_number 18613 _BMRB_flat_file_name bmr18613.str _Entry_type original _Submission_date 2012-07-24 _Accession_date 2012-07-24 _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 Qin Haina . . 2 Song Jianxing . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 784 "13C chemical shifts" 449 "15N chemical shifts" 163 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-13 update BMRB 'update entry citation' 2013-07-22 original author 'original release' stop_ _Original_release_date 2013-06-11 save_ ############################# # Citation for this entry # ############################# save_citation1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Protein dynamics at Eph receptor-ligand interfaces as revealed by crystallography, NMR and MD simulations. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22277260 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Qin Haina . . 2 Lim Liangzhong . . 3 Song Jianxing . . stop_ _Journal_abbreviation 'BMC Biophys.' _Journal_name_full 'BMC biophysics' _Journal_volume 5 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2 _Page_last 2 _Year 2012 _Details . save_ ####################################### # Cited references within the entry # ####################################### save_citation_2 _Saveframe_category citation _Citation_full . _Citation_title ; NMR solution structure of Eph receptor ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Qin Haina . . 2 Fan Jinsong . . 3 Song Jianxing . . stop_ _Journal_abbreviation 'Not known' _Journal_name_full . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Eph receptor' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Eph receptor' $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 20989.896 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 183 _Mol_residue_sequence ; GSNEVTLLDSRSVQGELGWI ASPLEGGWEEVSIMDEKNTP IRTYQVCNVMEPSQNNWLRT DWITREGAQRVYIEIKFTLR DCNSLPGVMGTCKETFNLYY YESDNDKERFIRENQFVKID TIAADESFTQVDIGDRIMKL NTEIRDVGPLSKKGFYLAFQ DVGACIALVSVRVFYKKAPL TVR ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 ASN 4 GLU 5 VAL 6 THR 7 LEU 8 LEU 9 ASP 10 SER 11 ARG 12 SER 13 VAL 14 GLN 15 GLY 16 GLU 17 LEU 18 GLY 19 TRP 20 ILE 21 ALA 22 SER 23 PRO 24 LEU 25 GLU 26 GLY 27 GLY 28 TRP 29 GLU 30 GLU 31 VAL 32 SER 33 ILE 34 MET 35 ASP 36 GLU 37 LYS 38 ASN 39 THR 40 PRO 41 ILE 42 ARG 43 THR 44 TYR 45 GLN 46 VAL 47 CYS 48 ASN 49 VAL 50 MET 51 GLU 52 PRO 53 SER 54 GLN 55 ASN 56 ASN 57 TRP 58 LEU 59 ARG 60 THR 61 ASP 62 TRP 63 ILE 64 THR 65 ARG 66 GLU 67 GLY 68 ALA 69 GLN 70 ARG 71 VAL 72 TYR 73 ILE 74 GLU 75 ILE 76 LYS 77 PHE 78 THR 79 LEU 80 ARG 81 ASP 82 CYS 83 ASN 84 SER 85 LEU 86 PRO 87 GLY 88 VAL 89 MET 90 GLY 91 THR 92 CYS 93 LYS 94 GLU 95 THR 96 PHE 97 ASN 98 LEU 99 TYR 100 TYR 101 TYR 102 GLU 103 SER 104 ASP 105 ASN 106 ASP 107 LYS 108 GLU 109 ARG 110 PHE 111 ILE 112 ARG 113 GLU 114 ASN 115 GLN 116 PHE 117 VAL 118 LYS 119 ILE 120 ASP 121 THR 122 ILE 123 ALA 124 ALA 125 ASP 126 GLU 127 SER 128 PHE 129 THR 130 GLN 131 VAL 132 ASP 133 ILE 134 GLY 135 ASP 136 ARG 137 ILE 138 MET 139 LYS 140 LEU 141 ASN 142 THR 143 GLU 144 ILE 145 ARG 146 ASP 147 VAL 148 GLY 149 PRO 150 LEU 151 SER 152 LYS 153 LYS 154 GLY 155 PHE 156 TYR 157 LEU 158 ALA 159 PHE 160 GLN 161 ASP 162 VAL 163 GLY 164 ALA 165 CYS 166 ILE 167 ALA 168 LEU 169 VAL 170 SER 171 VAL 172 ARG 173 VAL 174 PHE 175 TYR 176 LYS 177 LYS 178 ALA 179 PRO 180 LEU 181 THR 182 VAL 183 ARG 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 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli . PET32a 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 0.5 mM '[U-99% 15N]' 'potassium phosphate' 10 mM 'natural abundance' 'sodium azide' 0.00002 mM 'natural abundance' D2O 10 '% v/v' 'natural abundance' H2O 100 '% v/v' 'natural abundance' DTT 0 w/v 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Braun and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.01 . M pH 6.3 . 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 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 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 '3D CBCA(CO)NH' '3D HNCACB' '3D H(CCO)NH' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Eph receptor' _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 4.368 . 1 2 2 2 SER HB3 H 3.760 . 2 3 2 2 SER CA C 58.728 . 1 4 2 2 SER CB C 63.920 . 1 5 3 3 ASN H H 8.660 . 1 6 3 3 ASN HA H 4.545 . 1 7 3 3 ASN HB2 H 2.854 . 2 8 3 3 ASN HB3 H 2.650 . 2 9 3 3 ASN CA C 53.764 . 1 10 3 3 ASN CB C 38.241 . 1 11 3 3 ASN N N 119.721 . 1 12 4 4 GLU H H 7.733 . 1 13 4 4 GLU HA H 4.387 . 1 14 4 4 GLU HB2 H 1.879 . 2 15 4 4 GLU HB3 H 1.779 . 2 16 4 4 GLU HG2 H 1.577 . 2 17 4 4 GLU HG3 H 1.282 . 2 18 4 4 GLU CA C 55.191 . 1 19 4 4 GLU CB C 31.548 . 1 20 4 4 GLU CG C 25.059 . 1 21 4 4 GLU N N 118.392 . 1 22 5 5 VAL H H 8.290 . 1 23 5 5 VAL HA H 4.207 . 1 24 5 5 VAL HB H 3.060 . 1 25 5 5 VAL CA C 55.055 . 1 26 5 5 VAL CB C 37.581 . 1 27 5 5 VAL N N 116.434 . 1 28 6 6 THR H H 8.261 . 1 29 6 6 THR HA H 4.065 . 1 30 6 6 THR CA C 59.693 . 1 31 6 6 THR CB C 70.267 . 1 32 6 6 THR N N 115.483 . 1 33 7 7 LEU H H 9.424 . 1 34 7 7 LEU HA H 4.418 . 1 35 7 7 LEU HB2 H 1.555 . 2 36 7 7 LEU HB3 H 1.346 . 2 37 7 7 LEU CA C 55.656 . 1 38 7 7 LEU CB C 43.455 . 1 39 7 7 LEU N N 128.729 . 1 40 8 8 LEU H H 7.752 . 1 41 8 8 LEU HA H 4.490 . 1 42 8 8 LEU HB2 H 1.714 . 2 43 8 8 LEU HB3 H 1.365 . 2 44 8 8 LEU CA C 55.642 . 1 45 8 8 LEU CB C 45.513 . 1 46 8 8 LEU N N 119.682 . 1 47 9 9 ASP H H 8.987 . 1 48 9 9 ASP HA H 5.365 . 1 49 9 9 ASP HB2 H 2.917 . 2 50 9 9 ASP HB3 H 2.542 . 2 51 9 9 ASP CA C 53.585 . 1 52 9 9 ASP CB C 42.465 . 1 53 9 9 ASP N N 126.188 . 1 54 10 10 SER H H 9.537 . 1 55 10 10 SER HA H 4.016 . 1 56 10 10 SER CA C 62.857 . 1 57 10 10 SER N N 123.939 . 1 58 11 11 ARG H H 8.380 . 1 59 11 11 ARG HA H 4.330 . 1 60 11 11 ARG HB2 H 1.936 . 2 61 11 11 ARG HB3 H 1.816 . 2 62 11 11 ARG HG3 H 1.727 . 2 63 11 11 ARG CA C 57.659 . 1 64 11 11 ARG CB C 30.095 . 1 65 11 11 ARG CG C 27.762 . 1 66 11 11 ARG N N 120.528 . 1 67 12 12 SER H H 7.761 . 1 68 12 12 SER HA H 3.982 . 1 69 12 12 SER HB3 H 3.880 . 2 70 12 12 SER CA C 64.479 . 1 71 12 12 SER N N 113.016 . 1 72 13 13 VAL H H 7.059 . 1 73 13 13 VAL HA H 3.929 . 1 74 13 13 VAL HB H 1.989 . 1 75 13 13 VAL HG1 H 0.821 . 2 76 13 13 VAL HG2 H 0.959 . 2 77 13 13 VAL CA C 63.209 . 1 78 13 13 VAL CB C 32.606 . 1 79 13 13 VAL CG2 C 21.221 . 1 80 13 13 VAL N N 122.331 . 1 81 14 14 GLN H H 8.635 . 1 82 14 14 GLN HA H 4.341 . 1 83 14 14 GLN HB2 H 2.057 . 2 84 14 14 GLN HB3 H 1.911 . 2 85 14 14 GLN HG2 H 2.344 . 2 86 14 14 GLN HG3 H 2.215 . 2 87 14 14 GLN CA C 55.717 . 1 88 14 14 GLN CB C 29.263 . 1 89 14 14 GLN CG C 34.080 . 1 90 14 14 GLN N N 126.305 . 1 91 15 15 GLY H H 7.976 . 1 92 15 15 GLY HA2 H 3.882 . 2 93 15 15 GLY HA3 H 3.805 . 2 94 15 15 GLY CA C 44.536 . 1 95 15 15 GLY N N 111.338 . 1 96 16 16 GLU H H 8.070 . 1 97 16 16 GLU HA H 4.047 . 1 98 16 16 GLU HB2 H 1.954 . 2 99 16 16 GLU HB3 H 1.812 . 2 100 16 16 GLU HG3 H 2.142 . 2 101 16 16 GLU CA C 56.138 . 1 102 16 16 GLU CB C 30.227 . 1 103 16 16 GLU N N 119.138 . 1 104 17 17 LEU H H 10.118 . 1 105 17 17 LEU HA H 3.942 . 1 106 17 17 LEU HB2 H 1.310 . 2 107 17 17 LEU HB3 H 0.180 . 2 108 17 17 LEU HG H 1.160 . 1 109 17 17 LEU HD1 H 0.087 . 2 110 17 17 LEU HD2 H 0.525 . 2 111 17 17 LEU CA C 57.041 . 1 112 17 17 LEU CB C 41.055 . 1 113 17 17 LEU CG C 27.000 . 1 114 17 17 LEU CD1 C 25.070 . 1 115 17 17 LEU CD2 C 23.000 . 1 116 17 17 LEU N N 126.953 . 1 117 18 18 GLY H H 8.670 . 1 118 18 18 GLY HA2 H 3.854 . 2 119 18 18 GLY CA C 46.470 . 1 120 18 18 GLY N N 105.902 . 1 121 19 19 TRP H H 7.338 . 1 122 19 19 TRP HA H 4.911 . 1 123 19 19 TRP HB2 H 3.004 . 2 124 19 19 TRP HB3 H 2.749 . 2 125 19 19 TRP CA C 55.543 . 1 126 19 19 TRP CB C 28.938 . 1 127 19 19 TRP N N 121.382 . 1 128 20 20 ILE HA H 4.304 . 1 129 21 21 ALA H H 8.108 . 1 130 21 21 ALA HA H 5.271 . 1 131 21 21 ALA HB H 1.596 . 1 132 21 21 ALA CA C 50.208 . 1 133 21 21 ALA CB C 21.976 . 1 134 21 21 ALA N N 123.966 . 1 135 22 22 SER H H 8.714 . 1 136 22 22 SER HA H 4.764 . 1 137 22 22 SER HB2 H 3.771 . 2 138 22 22 SER HB3 H 3.672 . 2 139 22 22 SER CA C 55.289 . 1 140 22 22 SER CB C 65.370 . 1 141 22 22 SER N N 114.998 . 1 142 23 23 PRO HA H 4.922 . 1 143 23 23 PRO HB2 H 2.611 . 2 144 23 23 PRO HB3 H 2.305 . 2 145 23 23 PRO HG2 H 2.019 . 2 146 23 23 PRO HG3 H 1.795 . 2 147 23 23 PRO HD2 H 4.279 . 2 148 23 23 PRO HD3 H 3.879 . 2 149 23 23 PRO CA C 63.527 . 1 150 23 23 PRO CB C 35.392 . 1 151 23 23 PRO CG C 25.586 . 1 152 23 23 PRO CD C 51.626 . 1 153 24 24 LEU H H 8.731 . 1 154 24 24 LEU HA H 4.163 . 1 155 24 24 LEU HB2 H 1.785 . 2 156 24 24 LEU HB3 H 1.856 . 2 157 24 24 LEU HG H 1.716 . 1 158 24 24 LEU HD1 H 1.093 . 2 159 24 24 LEU HD2 H 1.059 . 2 160 24 24 LEU CA C 57.685 . 1 161 24 24 LEU CB C 43.505 . 1 162 24 24 LEU CG C 27.633 . 1 163 24 24 LEU CD1 C 24.941 . 1 164 24 24 LEU CD2 C 24.941 . 1 165 24 24 LEU N N 123.406 . 1 166 25 25 GLU H H 7.688 . 1 167 25 25 GLU HA H 4.652 . 1 168 25 25 GLU HB2 H 1.969 . 2 169 25 25 GLU HB3 H 1.860 . 2 170 25 25 GLU HG2 H 2.213 . 2 171 25 25 GLU HG3 H 2.174 . 2 172 25 25 GLU CA C 54.978 . 1 173 25 25 GLU CB C 32.289 . 1 174 25 25 GLU CG C 36.028 . 1 175 25 25 GLU N N 115.784 . 1 176 26 26 GLY H H 8.812 . 1 177 26 26 GLY HA2 H 4.055 . 2 178 26 26 GLY HA3 H 3.702 . 2 179 26 26 GLY CA C 45.567 . 1 180 26 26 GLY N N 110.253 . 1 181 27 27 GLY H H 8.554 . 1 182 27 27 GLY HA2 H 3.365 . 2 183 27 27 GLY HA3 H 4.037 . 2 184 27 27 GLY CA C 43.710 . 1 185 27 27 GLY N N 111.606 . 1 186 28 28 TRP H H 8.328 . 1 187 28 28 TRP HA H 4.499 . 1 188 28 28 TRP HB2 H 3.006 . 2 189 28 28 TRP HB3 H 2.964 . 2 190 28 28 TRP CA C 58.663 . 1 191 28 28 TRP CB C 30.614 . 1 192 28 28 TRP N N 126.538 . 1 193 29 29 GLU H H 9.332 . 1 194 29 29 GLU HA H 4.838 . 1 195 29 29 GLU HB2 H 2.014 . 2 196 29 29 GLU HB3 H 1.894 . 2 197 29 29 GLU HG2 H 2.281 . 2 198 29 29 GLU HG3 H 2.132 . 2 199 29 29 GLU CA C 55.219 . 1 200 29 29 GLU CB C 33.769 . 1 201 29 29 GLU CG C 35.858 . 1 202 29 29 GLU N N 123.533 . 1 203 30 30 GLU H H 8.826 . 1 204 30 30 GLU HA H 4.222 . 1 205 30 30 GLU HB2 H 1.756 . 2 206 30 30 GLU HB3 H 1.608 . 2 207 30 30 GLU CA C 55.494 . 1 208 30 30 GLU CB C 30.041 . 1 209 30 30 GLU N N 126.668 . 1 210 31 31 VAL H H 8.621 . 1 211 31 31 VAL HA H 4.176 . 1 212 31 31 VAL HB H 1.530 . 1 213 31 31 VAL HG1 H 0.603 . 2 214 31 31 VAL HG2 H 0.636 . 2 215 31 31 VAL CA C 61.166 . 1 216 31 31 VAL CB C 35.899 . 1 217 31 31 VAL CG1 C 20.430 . 1 218 31 31 VAL CG2 C 20.816 . 1 219 31 31 VAL N N 127.246 . 1 220 32 32 SER H H 8.822 . 1 221 32 32 SER HA H 4.189 . 1 222 32 32 SER HB3 H 3.581 . 2 223 32 32 SER CA C 57.814 . 1 224 32 32 SER CB C 63.873 . 1 225 32 32 SER N N 124.926 . 1 226 33 33 ILE H H 8.682 . 1 227 33 33 ILE HA H 4.511 . 1 228 33 33 ILE HB H 1.743 . 1 229 33 33 ILE HG12 H 0.893 . 1 230 33 33 ILE HG13 H 0.840 . 1 231 33 33 ILE HG2 H 0.634 . 1 232 33 33 ILE HD1 H 0.818 . 1 233 33 33 ILE CA C 59.361 . 1 234 33 33 ILE CB C 41.442 . 1 235 33 33 ILE CG1 C 26.265 . 1 236 33 33 ILE CG2 C 13.984 . 1 237 33 33 ILE CD1 C 18.109 . 1 238 33 33 ILE N N 121.815 . 1 239 34 34 MET H H 8.143 . 1 240 34 34 MET HA H 4.793 . 1 241 34 34 MET HB2 H 1.980 . 2 242 34 34 MET HB3 H 1.829 . 2 243 34 34 MET HG2 H 2.514 . 2 244 34 34 MET HG3 H 2.458 . 2 245 34 34 MET HE H 1.978 . 1 246 34 34 MET CA C 53.689 . 1 247 34 34 MET CB C 34.096 . 1 248 34 34 MET CG C 32.809 . 1 249 34 34 MET N N 119.743 . 1 250 35 35 ASP H H 8.522 . 1 251 35 35 ASP HA H 4.524 . 1 252 35 35 ASP HB2 H 3.106 . 2 253 35 35 ASP HB3 H 2.579 . 2 254 35 35 ASP CA C 52.388 . 1 255 35 35 ASP CB C 41.003 . 1 256 35 35 ASP N N 122.965 . 1 257 36 36 GLU H H 9.319 . 1 258 36 36 GLU HA H 4.141 . 1 259 36 36 GLU HB3 H 2.019 . 2 260 36 36 GLU HG2 H 2.260 . 2 261 36 36 GLU HG3 H 2.132 . 2 262 36 36 GLU CA C 58.330 . 1 263 36 36 GLU CB C 28.646 . 1 264 36 36 GLU CG C 35.899 . 1 265 36 36 GLU N N 117.961 . 1 266 37 37 LYS H H 8.234 . 1 267 37 37 LYS HA H 4.780 . 1 268 37 37 LYS HB2 H 1.992 . 2 269 37 37 LYS HB3 H 1.733 . 2 270 37 37 LYS HG2 H 1.300 . 2 271 37 37 LYS HD3 H 1.634 . 2 272 37 37 LYS HE2 H 3.750 . 2 273 37 37 LYS HE3 H 3.686 . 2 274 37 37 LYS CA C 55.107 . 1 275 37 37 LYS CB C 31.593 . 1 276 37 37 LYS CG C 36.308 . 1 277 37 37 LYS N N 120.732 . 1 278 38 38 ASN H H 8.769 . 1 279 38 38 ASN HA H 3.914 . 1 280 38 38 ASN HB2 H 0.702 . 2 281 38 38 ASN HB3 H 0.514 . 2 282 38 38 ASN HD21 H 7.199 . 2 283 38 38 ASN HD22 H 7.980 . 2 284 38 38 ASN CA C 61.996 . 1 285 38 38 ASN CB C 32.554 . 1 286 38 38 ASN N N 125.768 . 1 287 38 38 ASN ND2 N 115.166 . 1 288 39 39 THR H H 8.751 . 1 289 39 39 THR HA H 4.169 . 1 290 39 39 THR HB H 4.057 . 1 291 39 39 THR HG2 H 1.252 . 1 292 39 39 THR CA C 64.517 . 1 293 39 39 THR CB C 68.900 . 1 294 39 39 THR CG2 C 23.137 . 1 295 39 39 THR N N 124.421 . 1 296 40 40 PRO HA H 4.830 . 1 297 40 40 PRO HB2 H 1.986 . 2 298 40 40 PRO HB3 H 1.722 . 2 299 40 40 PRO HG2 H 2.074 . 2 300 40 40 PRO HG3 H 1.829 . 2 301 40 40 PRO HD2 H 3.678 . 2 302 40 40 PRO HD3 H 3.607 . 2 303 40 40 PRO CA C 62.854 . 1 304 40 40 PRO CB C 32.032 . 1 305 40 40 PRO CG C 27.520 . 1 306 40 40 PRO CD C 51.239 . 1 307 41 41 ILE H H 9.113 . 1 308 41 41 ILE HA H 4.390 . 1 309 41 41 ILE HB H 1.740 . 1 310 41 41 ILE HG12 H 1.413 . 1 311 41 41 ILE HG13 H 0.951 . 1 312 41 41 ILE HG2 H 0.689 . 1 313 41 41 ILE HD1 H 0.822 . 1 314 41 41 ILE CA C 60.243 . 1 315 41 41 ILE CB C 41.184 . 1 316 41 41 ILE CG1 C 26.500 . 1 317 41 41 ILE CG2 C 13.597 . 1 318 41 41 ILE CD1 C 18.156 . 1 319 41 41 ILE N N 122.933 . 1 320 42 42 ARG H H 8.848 . 1 321 42 42 ARG HA H 4.277 . 1 322 42 42 ARG HB2 H 2.081 . 2 323 42 42 ARG HB3 H 1.926 . 2 324 42 42 ARG HG3 H 1.482 . 2 325 42 42 ARG CA C 55.344 . 1 326 42 42 ARG CB C 29.711 . 1 327 42 42 ARG CG C 26.606 . 1 328 42 42 ARG N N 124.197 . 1 329 43 43 THR H H 7.808 . 1 330 43 43 THR HA H 4.752 . 1 331 43 43 THR HB H 4.069 . 1 332 43 43 THR HG2 H 1.118 . 1 333 43 43 THR CA C 59.754 . 1 334 43 43 THR CB C 72.215 . 1 335 43 43 THR N N 113.808 . 1 336 44 44 TYR H H 7.973 . 1 337 44 44 TYR HA H 5.470 . 1 338 44 44 TYR HB2 H 2.904 . 2 339 44 44 TYR HB3 H 2.233 . 2 340 44 44 TYR CA C 57.556 . 1 341 44 44 TYR CB C 44.149 . 1 342 44 44 TYR N N 117.488 . 1 343 45 45 GLN H H 9.463 . 1 344 45 45 GLN HA H 5.594 . 1 345 45 45 GLN HB2 H 2.235 . 2 346 45 45 GLN HB3 H 2.157 . 2 347 45 45 GLN HG2 H 2.103 . 2 348 45 45 GLN HG3 H 1.809 . 2 349 45 45 GLN HE21 H 6.593 . 2 350 45 45 GLN HE22 H 7.280 . 2 351 45 45 GLN CA C 54.333 . 1 352 45 45 GLN CB C 32.920 . 1 353 45 45 GLN CG C 32.805 . 1 354 45 45 GLN N N 119.923 . 1 355 45 45 GLN NE2 N 109.489 . 1 356 46 46 VAL H H 8.323 . 1 357 46 46 VAL HA H 3.949 . 1 358 46 46 VAL HB H 1.089 . 1 359 46 46 VAL HG1 H -0.675 . 2 360 46 46 VAL HG2 H 0.448 . 2 361 46 46 VAL CA C 61.929 . 1 362 46 46 VAL CB C 34.962 . 1 363 46 46 VAL CG1 C 16.304 . 1 364 46 46 VAL CG2 C 20.945 . 1 365 46 46 VAL N N 121.557 . 1 366 47 47 CYS H H 8.546 . 1 367 47 47 CYS HA H 5.305 . 1 368 47 47 CYS HB2 H 3.373 . 2 369 47 47 CYS HB3 H 2.798 . 2 370 47 47 CYS CA C 58.459 . 1 371 47 47 CYS CB C 46.341 . 1 372 47 47 CYS N N 127.859 . 1 373 48 48 ASN H H 9.757 . 1 374 48 48 ASN HA H 5.021 . 1 375 48 48 ASN HB2 H 2.782 . 2 376 48 48 ASN HB3 H 2.569 . 2 377 48 48 ASN CA C 51.755 . 1 378 48 48 ASN CB C 36.157 . 1 379 48 48 ASN N N 129.228 . 1 380 49 49 VAL H H 6.502 . 1 381 49 49 VAL HA H 3.880 . 1 382 49 49 VAL HB H 2.115 . 1 383 49 49 VAL HG1 H 0.772 . 2 384 49 49 VAL HG2 H 0.862 . 2 385 49 49 VAL CA C 62.713 . 1 386 49 49 VAL CB C 31.774 . 1 387 49 49 VAL CG1 C 18.882 . 1 388 49 49 VAL CG2 C 23.523 . 1 389 49 49 VAL N N 107.231 . 1 390 52 52 PRO HA H 4.483 . 1 391 52 52 PRO HB2 H 2.235 . 2 392 52 52 PRO HB3 H 2.001 . 2 393 52 52 PRO HG3 H 1.981 . 2 394 52 52 PRO CA C 62.971 . 1 395 52 52 PRO CB C 33.096 . 1 396 52 52 PRO CG C 27.043 . 1 397 53 53 SER H H 8.400 . 1 398 53 53 SER HA H 4.044 . 1 399 53 53 SER HB2 H 3.922 . 2 400 53 53 SER HB3 H 3.759 . 2 401 53 53 SER HG H 1.032 . 1 402 53 53 SER CA C 58.000 . 1 403 53 53 SER CB C 62.013 . 1 404 53 53 SER N N 111.697 . 1 405 54 54 GLN H H 8.444 . 1 406 54 54 GLN HA H 3.993 . 1 407 54 54 GLN HB2 H 1.793 . 2 408 54 54 GLN HB3 H 1.952 . 2 409 54 54 GLN HG2 H 2.353 . 2 410 54 54 GLN HG3 H 2.197 . 2 411 54 54 GLN CA C 56.138 . 1 412 54 54 GLN CB C 29.510 . 1 413 54 54 GLN CG C 36.157 . 1 414 54 54 GLN N N 119.624 . 1 415 55 55 ASN H H 8.770 . 1 416 55 55 ASN HA H 4.878 . 1 417 55 55 ASN HB2 H 2.555 . 2 418 55 55 ASN HB3 H 2.905 . 2 419 55 55 ASN HD22 H 2.790 . 2 420 55 55 ASN CA C 53.126 . 1 421 55 55 ASN CB C 38.219 . 1 422 55 55 ASN N N 122.386 . 1 423 56 56 ASN H H 9.130 . 1 424 56 56 ASN HA H 4.796 . 1 425 56 56 ASN HB2 H 2.645 . 2 426 56 56 ASN HB3 H 2.414 . 2 427 56 56 ASN CA C 53.624 . 1 428 56 56 ASN CB C 41.374 . 1 429 56 56 ASN N N 119.818 . 1 430 57 57 TRP H H 8.693 . 1 431 57 57 TRP HA H 4.303 . 1 432 57 57 TRP HB2 H 3.223 . 2 433 57 57 TRP HB3 H 2.928 . 2 434 57 57 TRP CA C 56.954 . 1 435 57 57 TRP CB C 32.327 . 1 436 57 57 TRP N N 126.940 . 1 437 58 58 LEU H H 8.655 . 1 438 58 58 LEU HA H 5.429 . 1 439 58 58 LEU HB2 H 1.422 . 2 440 58 58 LEU HG H 1.298 . 1 441 58 58 LEU HD1 H 0.267 . 2 442 58 58 LEU CA C 53.890 . 1 443 58 58 LEU CB C 44.980 . 1 444 58 58 LEU N N 126.654 . 1 445 59 59 ARG H H 8.522 . 1 446 59 59 ARG HA H 4.577 . 1 447 59 59 ARG N N 126.684 . 1 448 60 60 THR H H 8.506 . 1 449 60 60 THR HA H 5.218 . 1 450 60 60 THR CA C 57.845 . 1 451 60 60 THR CB C 65.707 . 1 452 60 60 THR N N 112.433 . 1 453 63 63 ILE HA H 4.294 . 1 454 63 63 ILE HB H 1.617 . 1 455 63 63 ILE HD1 H 0.875 . 1 456 63 63 ILE CA C 55.706 . 1 457 63 63 ILE CB C 42.256 . 1 458 63 63 ILE CG1 C 27.328 . 1 459 63 63 ILE CG2 C 25.228 . 1 460 63 63 ILE CD1 C 23.595 . 1 461 64 64 THR H H 7.569 . 1 462 64 64 THR HA H 4.093 . 1 463 64 64 THR HB H 3.623 . 1 464 64 64 THR HG2 H 1.173 . 1 465 64 64 THR CA C 59.686 . 1 466 64 64 THR CB C 66.252 . 1 467 64 64 THR N N 119.208 . 1 468 65 65 ARG H H 7.811 . 1 469 65 65 ARG HA H 4.444 . 1 470 65 65 ARG HB2 H 2.377 . 2 471 65 65 ARG HB3 H 2.100 . 2 472 65 65 ARG HG2 H 1.973 . 2 473 65 65 ARG HD3 H 2.556 . 2 474 65 65 ARG CA C 55.338 . 1 475 65 65 ARG CB C 33.323 . 1 476 65 65 ARG N N 122.743 . 1 477 66 66 GLU H H 7.312 . 1 478 66 66 GLU HA H 3.677 . 1 479 66 66 GLU HB2 H 2.212 . 2 480 66 66 GLU HG2 H 2.102 . 2 481 66 66 GLU CA C 53.232 . 1 482 66 66 GLU CB C 31.458 . 1 483 66 66 GLU CG C 36.649 . 1 484 66 66 GLU N N 120.536 . 1 485 67 67 GLY H H 7.900 . 1 486 67 67 GLY HA2 H 4.058 . 2 487 67 67 GLY HA3 H 3.612 . 2 488 67 67 GLY CA C 45.696 . 1 489 67 67 GLY N N 106.500 . 1 490 68 68 ALA H H 7.835 . 1 491 68 68 ALA HA H 3.740 . 1 492 68 68 ALA HB H 0.678 . 1 493 68 68 ALA CA C 52.529 . 1 494 68 68 ALA CB C 18.754 . 1 495 68 68 ALA N N 125.577 . 1 496 69 69 GLN H H 8.470 . 1 497 69 69 GLN HA H 4.181 . 1 498 69 69 GLN HB2 H 2.041 . 2 499 69 69 GLN HB3 H 1.946 . 2 500 69 69 GLN HG2 H 2.367 . 2 501 69 69 GLN HG3 H 2.259 . 2 502 69 69 GLN CA C 57.169 . 1 503 69 69 GLN CB C 30.428 . 1 504 69 69 GLN CG C 34.739 . 1 505 69 69 GLN N N 120.600 . 1 506 70 70 ARG H H 7.304 . 1 507 70 70 ARG HA H 4.866 . 1 508 70 70 ARG HB2 H 1.426 . 2 509 70 70 ARG HG3 H 1.214 . 2 510 70 70 ARG HG2 H 0.838 . 2 511 70 70 ARG HD2 H 2.967 . 2 512 70 70 ARG HD3 H 2.868 . 2 513 70 70 ARG CA C 54.614 . 1 514 70 70 ARG CB C 33.192 . 1 515 70 70 ARG CG C 26.758 . 1 516 70 70 ARG CD C 42.473 . 1 517 70 70 ARG N N 117.323 . 1 518 71 71 VAL H H 7.935 . 1 519 71 71 VAL HA H 4.601 . 1 520 71 71 VAL HB H 1.638 . 1 521 71 71 VAL HG1 H 0.210 . 2 522 71 71 VAL HG2 H 0.539 . 2 523 71 71 VAL CA C 58.845 . 1 524 71 71 VAL CB C 34.997 . 1 525 71 71 VAL CG1 C 19.140 . 1 526 71 71 VAL CG2 C 21.847 . 1 527 71 71 VAL N N 117.274 . 1 528 72 72 TYR H H 8.814 . 1 529 72 72 TYR HA H 4.490 . 1 530 72 72 TYR HB2 H 1.800 . 2 531 72 72 TYR HB3 H 0.741 . 2 532 72 72 TYR CA C 56.654 . 1 533 72 72 TYR CB C 40.282 . 1 534 72 72 TYR N N 119.812 . 1 535 73 73 ILE H H 9.007 . 1 536 73 73 ILE HA H 4.627 . 1 537 73 73 ILE HB H 1.572 . 1 538 73 73 ILE HG12 H 1.291 . 1 539 73 73 ILE HG13 H 0.948 . 1 540 73 73 ILE HG2 H 0.817 . 1 541 73 73 ILE HD1 H 0.503 . 1 542 73 73 ILE CA C 60.263 . 1 543 73 73 ILE CB C 41.184 . 1 544 73 73 ILE CG1 C 28.035 . 1 545 73 73 ILE CG2 C 19.141 . 1 546 73 73 ILE CD1 C 16.304 . 1 547 73 73 ILE N N 120.708 . 1 548 74 74 GLU H H 9.873 . 1 549 74 74 GLU HA H 5.300 . 1 550 74 74 GLU HB2 H 2.528 . 2 551 74 74 GLU HB3 H 2.010 . 2 552 74 74 GLU HG2 H 2.010 . 2 553 74 74 GLU HG3 H 1.777 . 2 554 74 74 GLU CA C 54.849 . 1 555 74 74 GLU CB C 33.965 . 1 556 74 74 GLU CG C 37.575 . 1 557 74 74 GLU N N 127.905 . 1 558 75 75 ILE H H 9.695 . 1 559 75 75 ILE HA H 5.203 . 1 560 75 75 ILE HB H 2.008 . 1 561 75 75 ILE HG12 H 1.855 . 1 562 75 75 ILE HG13 H 1.250 . 1 563 75 75 ILE HG2 H 1.008 . 1 564 75 75 ILE HD1 H 1.169 . 1 565 75 75 ILE CA C 59.748 . 1 566 75 75 ILE CB C 41.442 . 1 567 75 75 ILE CG1 C 28.100 . 1 568 75 75 ILE CG2 C 15.531 . 1 569 75 75 ILE CD1 C 19.914 . 1 570 75 75 ILE N N 129.258 . 1 571 76 76 LYS H H 9.078 . 1 572 76 76 LYS HA H 6.112 . 1 573 76 76 LYS HB2 H 1.911 . 2 574 76 76 LYS HB3 H 1.464 . 2 575 76 76 LYS HG2 H 1.674 . 2 576 76 76 LYS HG3 H 1.420 . 2 577 76 76 LYS HD2 H 1.467 . 2 578 76 76 LYS CA C 54.849 . 1 579 76 76 LYS CB C 33.707 . 1 580 76 76 LYS CG C 25.586 . 1 581 76 76 LYS N N 125.168 . 1 582 77 77 PHE H H 8.997 . 1 583 77 77 PHE HA H 5.782 . 1 584 77 77 PHE HB2 H 3.136 . 2 585 77 77 PHE HB3 H 3.032 . 2 586 77 77 PHE CA C 55.751 . 1 587 77 77 PHE CB C 42.345 . 1 588 77 77 PHE N N 120.121 . 1 589 78 78 THR H H 9.458 . 1 590 78 78 THR HA H 4.851 . 1 591 78 78 THR HB H 4.104 . 1 592 78 78 THR HG2 H 0.972 . 1 593 78 78 THR CA C 59.619 . 1 594 78 78 THR CB C 70.963 . 1 595 78 78 THR CG2 C 21.074 . 1 596 78 78 THR N N 114.100 . 1 597 79 79 LEU H H 8.828 . 1 598 79 79 LEU HA H 5.119 . 1 599 79 79 LEU HB2 H 1.642 . 2 600 79 79 LEU HG H 0.902 . 1 601 79 79 LEU HD1 H 0.922 . 2 602 79 79 LEU HD2 H 0.895 . 2 603 79 79 LEU CA C 54.457 . 1 604 79 79 LEU CB C 46.010 . 1 605 79 79 LEU CG C 27.778 . 1 606 79 79 LEU CD1 C 26.230 . 1 607 79 79 LEU CD2 C 25.457 . 1 608 79 79 LEU N N 124.870 . 1 609 80 80 ARG H H 8.028 . 1 610 80 80 ARG HA H 4.331 . 1 611 80 80 ARG HB2 H 1.650 . 2 612 80 80 ARG HB3 H 1.536 . 2 613 80 80 ARG HG2 H 1.500 . 2 614 80 80 ARG HD3 H 3.086 . 2 615 80 80 ARG CA C 55.554 . 1 616 80 80 ARG CB C 31.638 . 1 617 80 80 ARG CG C 27.066 . 1 618 80 80 ARG N N 124.757 . 1 619 81 81 ASP H H 8.332 . 1 620 81 81 ASP HA H 4.345 . 1 621 81 81 ASP HB2 H 2.618 . 2 622 81 81 ASP CA C 54.076 . 1 623 81 81 ASP CB C 41.055 . 1 624 81 81 ASP N N 122.911 . 1 625 82 82 CYS H H 9.569 . 1 626 82 82 CYS HA H 4.267 . 1 627 82 82 CYS HB2 H 2.992 . 2 628 82 82 CYS HB3 H 2.892 . 2 629 82 82 CYS CA C 58.459 . 1 630 82 82 CYS CB C 39.766 . 1 631 82 82 CYS N N 125.812 . 1 632 83 83 ASN H H 8.634 . 1 633 83 83 ASN HA H 4.484 . 1 634 83 83 ASN HB2 H 2.803 . 2 635 83 83 ASN HB3 H 2.713 . 2 636 83 83 ASN CA C 54.720 . 1 637 83 83 ASN CB C 37.833 . 1 638 83 83 ASN N N 116.780 . 1 639 84 84 SER H H 7.857 . 1 640 84 84 SER HA H 4.030 . 1 641 84 84 SER HB2 H 3.906 . 2 642 84 84 SER HB3 H 3.745 . 2 643 84 84 SER CA C 57.814 . 1 644 84 84 SER CB C 61.681 . 1 645 84 84 SER N N 114.329 . 1 646 85 85 LEU H H 7.360 . 1 647 85 85 LEU HA H 4.683 . 1 648 85 85 LEU HB2 H 1.750 . 2 649 85 85 LEU HB3 H 1.343 . 2 650 85 85 LEU HG H 1.539 . 1 651 85 85 LEU HD1 H 0.838 . 2 652 85 85 LEU HD2 H 0.761 . 2 653 85 85 LEU CA C 52.271 . 1 654 85 85 LEU CB C 42.602 . 1 655 85 85 LEU CD1 C 26.488 . 1 656 85 85 LEU CD2 C 23.523 . 1 657 85 85 LEU N N 126.029 . 1 658 86 86 PRO HA H 4.346 . 1 659 86 86 PRO HB2 H 2.155 . 2 660 86 86 PRO HB3 H 1.840 . 2 661 86 86 PRO HG2 H 1.955 . 2 662 86 86 PRO HD2 H 3.754 . 2 663 86 86 PRO HD3 H 3.607 . 2 664 86 86 PRO CA C 63.357 . 1 665 86 86 PRO CB C 32.032 . 1 666 86 86 PRO CG C 27.262 . 1 667 86 86 PRO CD C 50.337 . 1 668 87 87 GLY H H 8.429 . 1 669 87 87 GLY HA2 H 3.939 . 2 670 87 87 GLY HA3 H 3.621 . 2 671 87 87 GLY CA C 46.599 . 1 672 87 87 GLY N N 109.455 . 1 673 88 88 VAL H H 7.437 . 1 674 88 88 VAL HA H 4.120 . 1 675 88 88 VAL HB H 2.158 . 1 676 88 88 VAL HG1 H 0.822 . 2 677 88 88 VAL HG2 H 0.849 . 2 678 88 88 VAL CA C 61.939 . 1 679 88 88 VAL CB C 32.562 . 1 680 88 88 VAL CG1 C 21.719 . 1 681 88 88 VAL CG2 C 21.074 . 1 682 88 88 VAL N N 116.688 . 1 683 89 89 MET H H 8.369 . 1 684 89 89 MET HA H 4.518 . 1 685 89 89 MET HB2 H 2.029 . 2 686 89 89 MET HB3 H 1.981 . 2 687 89 89 MET HG2 H 2.553 . 2 688 89 89 MET HG3 H 2.468 . 2 689 89 89 MET HE H 2.048 . 1 690 89 89 MET CA C 55.623 . 1 691 89 89 MET CB C 32.289 . 1 692 89 89 MET CG C 32.160 . 1 693 89 89 MET N N 124.081 . 1 694 90 90 GLY H H 8.478 . 1 695 90 90 GLY HA2 H 3.934 . 2 696 90 90 GLY HA3 H 3.728 . 2 697 90 90 GLY CA C 45.825 . 1 698 90 90 GLY N N 109.800 . 1 699 91 91 THR H H 7.568 . 1 700 91 91 THR HA H 4.276 . 1 701 91 91 THR HB H 4.091 . 1 702 91 91 THR HG2 H 1.036 . 1 703 91 91 THR CA C 61.681 . 1 704 91 91 THR CB C 69.618 . 1 705 91 91 THR CG2 C 22.016 . 1 706 91 91 THR N N 110.728 . 1 707 92 92 CYS H H 7.850 . 1 708 92 92 CYS HA H 4.676 . 1 709 92 92 CYS HB2 H 3.031 . 2 710 92 92 CYS HB3 H 3.010 . 2 711 92 92 CYS CA C 57.556 . 1 712 92 92 CYS CB C 40.861 . 1 713 92 92 CYS N N 122.443 . 1 714 93 93 LYS H H 8.462 . 1 715 93 93 LYS HA H 4.621 . 1 716 93 93 LYS HB2 H 1.823 . 2 717 93 93 LYS HB3 H 1.485 . 2 718 93 93 LYS HG2 H 1.477 . 2 719 93 93 LYS HD3 H 1.341 . 2 720 93 93 LYS CA C 54.382 . 1 721 93 93 LYS CB C 34.868 . 1 722 93 93 LYS CG C 24.881 . 1 723 93 93 LYS N N 129.075 . 1 724 94 94 GLU H H 8.590 . 1 725 94 94 GLU HA H 4.646 . 1 726 94 94 GLU HB2 H 2.348 . 2 727 94 94 GLU HB3 H 1.753 . 2 728 94 94 GLU HG2 H 2.210 . 2 729 94 94 GLU HG3 H 2.337 . 2 730 94 94 GLU CA C 55.088 . 1 731 94 94 GLU CB C 30.000 . 1 732 94 94 GLU CG C 37.375 . 1 733 94 94 GLU N N 117.696 . 1 734 95 95 THR H H 6.935 . 1 735 95 95 THR HA H 5.212 . 1 736 95 95 THR HB H 3.923 . 1 737 95 95 THR HG2 H 0.985 . 1 738 95 95 THR CA C 59.237 . 1 739 95 95 THR CB C 72.639 . 1 740 95 95 THR CG2 C 20.945 . 1 741 95 95 THR N N 107.028 . 1 742 96 96 PHE H H 8.193 . 1 743 96 96 PHE HA H 4.893 . 1 744 96 96 PHE HB2 H 3.316 . 2 745 96 96 PHE HB3 H 3.109 . 2 746 96 96 PHE CA C 56.783 . 1 747 96 96 PHE CB C 40.540 . 1 748 96 96 PHE N N 113.242 . 1 749 97 97 ASN H H 8.759 . 1 750 97 97 ASN HA H 5.416 . 1 751 97 97 ASN HB2 H 3.058 . 2 752 97 97 ASN HB3 H 2.131 . 2 753 97 97 ASN HD21 H 7.390 . 2 754 97 97 ASN HD22 H 6.987 . 2 755 97 97 ASN CA C 52.271 . 1 756 97 97 ASN CB C 43.118 . 1 757 97 97 ASN N N 116.045 . 1 758 97 97 ASN ND2 N 114.266 . 1 759 98 98 LEU H H 7.955 . 1 760 98 98 LEU HA H 5.084 . 1 761 98 98 LEU HB2 H 1.561 . 2 762 98 98 LEU HB3 H 1.025 . 2 763 98 98 LEU HG H 1.031 . 1 764 98 98 LEU HD1 H 0.688 . 2 765 98 98 LEU HD2 H 0.602 . 2 766 98 98 LEU CA C 53.431 . 1 767 98 98 LEU CB C 46.470 . 1 768 98 98 LEU CD1 C 24.039 . 1 769 98 98 LEU CD2 C 26.230 . 1 770 98 98 LEU N N 123.566 . 1 771 99 99 TYR H H 9.266 . 1 772 99 99 TYR HA H 5.552 . 1 773 99 99 TYR HB2 H 3.229 . 2 774 99 99 TYR HB3 H 2.571 . 2 775 99 99 TYR CA C 57.041 . 1 776 99 99 TYR CB C 45.825 . 1 777 99 99 TYR N N 125.190 . 1 778 100 100 TYR H H 9.644 . 1 779 100 100 TYR HA H 5.937 . 1 780 100 100 TYR HB2 H 3.031 . 2 781 100 100 TYR HB3 H 2.909 . 2 782 100 100 TYR CA C 56.525 . 1 783 100 100 TYR CB C 42.816 . 1 784 100 100 TYR N N 116.402 . 1 785 101 101 TYR H H 8.664 . 1 786 101 101 TYR HA H 4.771 . 1 787 101 101 TYR CA C 56.511 . 1 788 101 101 TYR CB C 41.964 . 1 789 101 101 TYR N N 120.127 . 1 790 102 102 GLU H H 9.055 . 1 791 102 102 GLU HA H 5.292 . 1 792 102 102 GLU HB2 H 2.511 . 2 793 102 102 GLU HB3 H 2.010 . 2 794 102 102 GLU HG2 H 2.515 . 2 795 102 102 GLU HG3 H 1.759 . 2 796 102 102 GLU CA C 53.670 . 1 797 102 102 GLU CB C 33.965 . 1 798 102 102 GLU CG C 37.704 . 1 799 102 102 GLU N N 127.297 . 1 800 103 103 SER H H 8.490 . 1 801 103 103 SER HA H 4.049 . 1 802 103 103 SER HB2 H 2.690 . 2 803 103 103 SER CA C 62.239 . 1 804 103 103 SER CB C 70.705 . 1 805 103 103 SER N N 114.886 . 1 806 104 104 ASP H H 7.349 . 1 807 104 104 ASP HA H 4.934 . 1 808 104 104 ASP HB2 H 3.061 . 2 809 104 104 ASP HB3 H 2.891 . 2 810 104 104 ASP CA C 53.818 . 1 811 104 104 ASP CB C 41.492 . 1 812 104 104 ASP N N 116.665 . 1 813 105 105 ASN H H 8.606 . 1 814 105 105 ASN N N 121.287 . 1 815 110 110 PHE H H 8.530 . 1 816 110 110 PHE HA H 4.317 . 1 817 110 110 PHE HB2 H 3.038 . 2 818 110 110 PHE HB3 H 2.528 . 2 819 110 110 PHE CA C 52.271 . 1 820 110 110 PHE CB C 38.735 . 1 821 110 110 PHE N N 120.485 . 1 822 111 111 ILE H H 8.118 . 1 823 111 111 ILE HA H 4.435 . 1 824 111 111 ILE HB H 1.259 . 1 825 111 111 ILE HG12 H 1.412 . 1 826 111 111 ILE HG13 H 1.281 . 1 827 111 111 ILE HG2 H -0.199 . 1 828 111 111 ILE HD1 H -0.056 . 1 829 111 111 ILE CA C 54.353 . 1 830 111 111 ILE CB C 26.230 . 1 831 111 111 ILE CG1 C 42.087 . 1 832 111 111 ILE CG2 C 24.426 . 1 833 111 111 ILE CD1 C 23.523 . 1 834 111 111 ILE N N 124.480 . 1 835 112 112 ARG H H 7.863 . 1 836 112 112 ARG HA H 4.441 . 1 837 112 112 ARG HB2 H 1.573 . 2 838 112 112 ARG HB3 H 1.451 . 2 839 112 112 ARG HG2 H 1.227 . 2 840 112 112 ARG HG3 H 1.139 . 2 841 112 112 ARG HD2 H 2.850 . 2 842 112 112 ARG CA C 54.590 . 1 843 112 112 ARG CB C 28.680 . 1 844 112 112 ARG CG C 24.039 . 1 845 112 112 ARG CD C 41.829 . 1 846 112 112 ARG N N 120.769 . 1 847 113 113 GLU H H 7.309 . 1 848 113 113 GLU HA H 4.004 . 1 849 113 113 GLU HB2 H 1.638 . 2 850 113 113 GLU HB3 H 1.473 . 2 851 113 113 GLU HG2 H 2.216 . 2 852 113 113 GLU HG3 H 2.193 . 2 853 113 113 GLU CA C 57.298 . 1 854 113 113 GLU CB C 29.282 . 1 855 113 113 GLU CG C 36.028 . 1 856 113 113 GLU N N 120.293 . 1 857 114 114 ASN H H 8.580 . 1 858 114 114 ASN HA H 4.116 . 1 859 114 114 ASN HB2 H 1.564 . 2 860 114 114 ASN HB3 H 1.461 . 2 861 114 114 ASN CA C 56.138 . 1 862 114 114 ASN CB C 30.356 . 1 863 114 114 ASN N N 124.902 . 1 864 116 116 PHE HA H 4.147 . 1 865 116 116 PHE HB2 H 2.903 . 2 866 116 116 PHE HB3 H 2.775 . 2 867 116 116 PHE CA C 59.490 . 1 868 116 116 PHE CB C 39.895 . 1 869 117 117 VAL H H 9.333 . 1 870 117 117 VAL HA H 4.142 . 1 871 117 117 VAL HB H 1.598 . 1 872 117 117 VAL HG1 H 0.841 . 2 873 117 117 VAL HG2 H 0.907 . 2 874 117 117 VAL CA C 61.810 . 1 875 117 117 VAL CB C 32.934 . 1 876 117 117 VAL CG1 C 20.945 . 1 877 117 117 VAL CG2 C 21.278 . 1 878 117 117 VAL N N 124.598 . 1 879 118 118 LYS H H 9.025 . 1 880 118 118 LYS HA H 3.500 . 1 881 118 118 LYS HB2 H 1.667 . 2 882 118 118 LYS HB3 H 1.464 . 2 883 118 118 LYS HG2 H 0.725 . 2 884 118 118 LYS HG3 H 0.351 . 2 885 118 118 LYS HD2 H 1.332 . 2 886 118 118 LYS HD3 H 1.566 . 2 887 118 118 LYS HE2 H 2.534 . 2 888 118 118 LYS HE3 H 2.435 . 2 889 118 118 LYS CA C 58.201 . 1 890 118 118 LYS CB C 32.547 . 1 891 118 118 LYS CG C 25.715 . 1 892 118 118 LYS CD C 28.938 . 1 893 118 118 LYS N N 129.781 . 1 894 119 119 ILE H H 9.400 . 1 895 119 119 ILE HA H 3.906 . 1 896 119 119 ILE HB H 1.971 . 1 897 119 119 ILE HG12 H 0.953 . 1 898 119 119 ILE HG13 H 0.792 . 1 899 119 119 ILE HG2 H 0.599 . 1 900 119 119 ILE HD1 H 1.147 . 1 901 119 119 ILE CA C 63.228 . 1 902 119 119 ILE CB C 32.547 . 1 903 119 119 ILE CG1 C 20.945 . 1 904 119 119 ILE N N 128.380 . 1 905 120 120 ASP H H 7.174 . 1 906 120 120 ASP HA H 4.711 . 1 907 120 120 ASP HB2 H 2.698 . 2 908 120 120 ASP HB3 H 1.977 . 2 909 120 120 ASP CA C 52.786 . 1 910 120 120 ASP CB C 43.505 . 1 911 120 120 ASP N N 110.407 . 1 912 121 121 THR H H 8.540 . 1 913 121 121 THR HA H 4.534 . 1 914 121 121 THR HB H 3.684 . 1 915 121 121 THR HG2 H 1.030 . 1 916 121 121 THR CA C 62.713 . 1 917 121 121 THR CB C 70.318 . 1 918 121 121 THR CG2 C 22.620 . 1 919 121 121 THR N N 120.000 . 1 920 122 122 ILE H H 8.959 . 1 921 122 122 ILE HA H 3.721 . 1 922 122 122 ILE HB H 0.132 . 1 923 122 122 ILE HG12 H 0.844 . 1 924 122 122 ILE HG13 H 0.535 . 1 925 122 122 ILE HG2 H 0.307 . 1 926 122 122 ILE HD1 H 0.266 . 1 927 122 122 ILE CA C 58.845 . 1 928 122 122 ILE CB C 35.383 . 1 929 122 122 ILE CG1 C 26.617 . 1 930 122 122 ILE CG2 C 9.859 . 1 931 122 122 ILE CD1 C 19.398 . 1 932 122 122 ILE N N 128.922 . 1 933 123 123 ALA H H 8.018 . 1 934 123 123 ALA HA H 4.690 . 1 935 123 123 ALA HB H 1.294 . 1 936 123 123 ALA CA C 49.435 . 1 937 123 123 ALA CB C 23.007 . 1 938 123 123 ALA N N 127.906 . 1 939 124 124 ALA H H 8.772 . 1 940 124 124 ALA HA H 4.374 . 1 941 124 124 ALA HB H 1.411 . 1 942 124 124 ALA CA C 52.013 . 1 943 124 124 ALA CB C 19.656 . 1 944 124 124 ALA N N 121.806 . 1 945 125 125 ASP H H 8.471 . 1 946 125 125 ASP HA H 4.699 . 1 947 125 125 ASP HB3 H 2.830 . 2 948 125 125 ASP CA C 53.818 . 1 949 125 125 ASP CB C 41.958 . 1 950 125 125 ASP N N 123.276 . 1 951 126 126 GLU H H 8.525 . 1 952 126 126 GLU HA H 4.322 . 1 953 126 126 GLU HB2 H 2.085 . 2 954 126 126 GLU HB3 H 1.930 . 2 955 126 126 GLU HG2 H 2.253 . 2 956 126 126 GLU HG3 H 2.196 . 2 957 126 126 GLU CA C 57.298 . 1 958 126 126 GLU CB C 29.840 . 1 959 126 126 GLU CG C 36.286 . 1 960 126 126 GLU N N 120.480 . 1 961 127 127 SER H H 8.307 . 1 962 127 127 SER HA H 4.348 . 1 963 127 127 SER HB2 H 3.768 . 2 964 127 127 SER HB3 H 3.721 . 2 965 127 127 SER CA C 58.459 . 1 966 127 127 SER CB C 63.873 . 1 967 127 127 SER N N 117.055 . 1 968 128 128 PHE H H 7.751 . 1 969 128 128 PHE HA H 4.934 . 1 970 128 128 PHE HB2 H 3.134 . 2 971 128 128 PHE HB3 H 2.775 . 2 972 128 128 PHE CA C 56.783 . 1 973 128 128 PHE CB C 40.153 . 1 974 128 128 PHE N N 120.894 . 1 975 129 129 THR H H 8.341 . 1 976 129 129 THR HA H 4.404 . 1 977 129 129 THR HB H 4.016 . 1 978 129 129 THR CA C 61.037 . 1 979 129 129 THR CB C 70.705 . 1 980 129 129 THR N N 114.990 . 1 981 130 130 GLN H H 8.539 . 1 982 130 130 GLN HA H 4.822 . 1 983 130 130 GLN HB2 H 1.927 . 2 984 130 130 GLN HG2 H 2.259 . 2 985 130 130 GLN HG3 H 2.138 . 2 986 130 130 GLN CA C 55.758 . 1 987 130 130 GLN CB C 30.289 . 1 988 130 130 GLN CG C 34.610 . 1 989 130 130 GLN N N 123.619 . 1 990 131 131 VAL H H 8.621 . 1 991 131 131 VAL HA H 4.281 . 1 992 131 131 VAL HB H 1.920 . 1 993 131 131 VAL HG2 H 0.788 . 2 994 131 131 VAL CA C 60.908 . 1 995 131 131 VAL CB C 34.481 . 1 996 131 131 VAL CG2 C 20.687 . 1 997 131 131 VAL N N 127.246 . 1 998 132 132 ASP H H 8.365 . 1 999 132 132 ASP HA H 4.793 . 1 1000 132 132 ASP HB2 H 2.646 . 2 1001 132 132 ASP HB3 H 2.416 . 2 1002 132 132 ASP CA C 53.689 . 1 1003 132 132 ASP CB C 41.184 . 1 1004 132 132 ASP N N 124.586 . 1 1005 133 133 ILE H H 8.275 . 1 1006 133 133 ILE HA H 4.231 . 1 1007 133 133 ILE HB H 1.826 . 1 1008 133 133 ILE HG12 H 1.345 . 1 1009 133 133 ILE HG13 H 1.014 . 1 1010 133 133 ILE HG2 H 0.715 . 1 1011 133 133 ILE HD1 H 0.767 . 1 1012 133 133 ILE CA C 60.521 . 1 1013 133 133 ILE CB C 38.606 . 1 1014 133 133 ILE CG1 C 27.133 . 1 1015 133 133 ILE CG2 C 13.210 . 1 1016 133 133 ILE CD1 C 17.336 . 1 1017 133 133 ILE N N 122.725 . 1 1018 134 134 GLY H H 8.671 . 1 1019 134 134 GLY HA2 H 3.933 . 2 1020 134 134 GLY HA3 H 3.623 . 2 1021 134 134 GLY CA C 46.599 . 1 1022 134 134 GLY N N 114.454 . 1 1023 135 135 ASP H H 8.245 . 1 1024 135 135 ASP HA H 4.195 . 1 1025 135 135 ASP HB2 H 3.050 . 2 1026 135 135 ASP HB3 H 2.698 . 2 1027 135 135 ASP CA C 54.849 . 1 1028 135 135 ASP CB C 37.575 . 1 1029 135 135 ASP N N 120.618 . 1 1030 138 138 MET HA H 4.499 . 1 1031 138 138 MET HB2 H 2.031 . 2 1032 138 138 MET HB3 H 1.985 . 2 1033 138 138 MET HG2 H 2.552 . 2 1034 138 138 MET HG3 H 2.471 . 2 1035 138 138 MET CA C 55.623 . 1 1036 138 138 MET CB C 32.289 . 1 1037 138 138 MET CG C 32.032 . 1 1038 139 139 LYS H H 7.312 . 1 1039 139 139 LYS HA H 4.732 . 1 1040 139 139 LYS HB2 H 2.144 . 2 1041 139 139 LYS HB3 H 2.065 . 2 1042 139 139 LYS HG2 H 1.951 . 2 1043 139 139 LYS HG3 H 1.696 . 2 1044 139 139 LYS CA C 53.210 . 1 1045 139 139 LYS CB C 35.512 . 1 1046 139 139 LYS CG C 31.516 . 1 1047 139 139 LYS N N 120.536 . 1 1048 140 140 LEU H H 8.329 . 1 1049 140 140 LEU HA H 4.316 . 1 1050 140 140 LEU HB2 H 1.537 . 2 1051 140 140 LEU HB3 H 1.400 . 2 1052 140 140 LEU HG H 1.230 . 1 1053 140 140 LEU HD1 H 1.105 . 2 1054 140 140 LEU HD2 H 0.870 . 2 1055 140 140 LEU CA C 55.880 . 1 1056 140 140 LEU CB C 32.289 . 1 1057 140 140 LEU CG C 29.195 . 1 1058 140 140 LEU CD1 C 24.812 . 1 1059 140 140 LEU N N 123.390 . 1 1060 141 141 ASN H H 8.690 . 1 1061 141 141 ASN HA H 4.783 . 1 1062 141 141 ASN HB2 H 2.640 . 2 1063 141 141 ASN HB3 H 2.422 . 2 1064 141 141 ASN HD21 H 6.242 . 2 1065 141 141 ASN HD22 H 6.972 . 2 1066 141 141 ASN CA C 53.688 . 1 1067 141 141 ASN CB C 41.584 . 1 1068 141 141 ASN N N 127.170 . 1 1069 141 141 ASN ND2 N 112.950 . 1 1070 142 142 THR H H 8.562 . 1 1071 142 142 THR HA H 5.282 . 1 1072 142 142 THR HB H 3.839 . 1 1073 142 142 THR HG1 H 0.951 . 1 1074 142 142 THR HG2 H 1.046 . 1 1075 142 142 THR CA C 62.068 . 1 1076 142 142 THR CB C 70.705 . 1 1077 142 142 THR N N 117.346 . 1 1078 143 143 GLU H H 9.150 . 1 1079 143 143 GLU HA H 4.850 . 1 1080 143 143 GLU HB2 H 2.263 . 2 1081 143 143 GLU HB3 H 2.133 . 2 1082 143 143 GLU HG2 H 2.517 . 2 1083 143 143 GLU HG3 H 2.646 . 2 1084 143 143 GLU CA C 54.632 . 1 1085 143 143 GLU CB C 34.352 . 1 1086 143 143 GLU CG C 36.157 . 1 1087 143 143 GLU N N 125.142 . 1 1088 144 144 ILE H H 8.750 . 1 1089 144 144 ILE HA H 5.789 . 1 1090 144 144 ILE HB H 1.711 . 1 1091 144 144 ILE HG12 H 1.630 . 1 1092 144 144 ILE HG13 H 1.075 . 1 1093 144 144 ILE HG2 H 0.970 . 1 1094 144 144 ILE HD1 H 0.966 . 1 1095 144 144 ILE CA C 59.068 . 1 1096 144 144 ILE CB C 40.942 . 1 1097 144 144 ILE CG1 C 28.680 . 1 1098 144 144 ILE CG2 C 13.855 . 1 1099 144 144 ILE CD1 C 17.465 . 1 1100 144 144 ILE N N 121.708 . 1 1101 145 145 ARG H H 8.892 . 1 1102 145 145 ARG HA H 4.851 . 1 1103 145 145 ARG HB2 H 1.716 . 2 1104 145 145 ARG HB3 H 1.231 . 2 1105 145 145 ARG HG2 H 1.234 . 2 1106 145 145 ARG HD2 H 2.072 . 2 1107 145 145 ARG HD3 H 1.831 . 2 1108 145 145 ARG CA C 52.897 . 1 1109 145 145 ARG CB C 34.481 . 1 1110 145 145 ARG CG C 25.755 . 1 1111 145 145 ARG CD C 27.648 . 1 1112 145 145 ARG N N 126.578 . 1 1113 146 146 ASP H H 8.161 . 1 1114 146 146 ASP HA H 5.139 . 1 1115 146 146 ASP HB2 H 1.951 . 2 1116 146 146 ASP HB3 H 1.541 . 2 1117 146 146 ASP CA C 52.013 . 1 1118 146 146 ASP CB C 44.020 . 1 1119 146 146 ASP N N 118.195 . 1 1120 147 147 VAL H H 8.152 . 1 1121 147 147 VAL HA H 4.125 . 1 1122 147 147 VAL HB H 1.131 . 1 1123 147 147 VAL HG1 H -0.083 . 2 1124 147 147 VAL HG2 H -0.199 . 2 1125 147 147 VAL CA C 59.748 . 1 1126 147 147 VAL CB C 35.125 . 1 1127 147 147 VAL CG1 C 19.785 . 1 1128 147 147 VAL CG2 C 20.430 . 1 1129 147 147 VAL N N 115.453 . 1 1130 148 148 GLY H H 7.538 . 1 1131 148 148 GLY HA2 H 4.214 . 2 1132 148 148 GLY HA3 H 3.262 . 2 1133 148 148 GLY CA C 44.278 . 1 1134 148 148 GLY N N 109.475 . 1 1135 149 149 PRO HA H 4.577 . 1 1136 149 149 PRO HB2 H 2.338 . 2 1137 149 149 PRO HB3 H 2.080 . 2 1138 149 149 PRO HG2 H 1.926 . 2 1139 149 149 PRO HG3 H 1.822 . 2 1140 149 149 PRO HD2 H 3.534 . 2 1141 149 149 PRO HD3 H 3.436 . 2 1142 149 149 PRO CA C 62.326 . 1 1143 149 149 PRO CB C 34.352 . 1 1144 149 149 PRO CG C 24.823 . 1 1145 149 149 PRO CD C 50.208 . 1 1146 150 150 LEU H H 8.580 . 1 1147 150 150 LEU HA H 4.347 . 1 1148 150 150 LEU HB2 H 1.575 . 2 1149 150 150 LEU HB3 H 1.532 . 2 1150 150 150 LEU HG H 1.590 . 1 1151 150 150 LEU HD1 H 0.865 . 2 1152 150 150 LEU HD2 H 0.820 . 2 1153 150 150 LEU CA C 55.490 . 1 1154 150 150 LEU CB C 42.345 . 1 1155 150 150 LEU CG C 27.004 . 1 1156 150 150 LEU CD1 C 24.812 . 1 1157 150 150 LEU CD2 C 23.652 . 1 1158 150 150 LEU N N 122.953 . 1 1159 151 151 SER H H 8.063 . 1 1160 151 151 SER HA H 4.317 . 1 1161 151 151 SER HB2 H 4.090 . 2 1162 151 151 SER CA C 61.743 . 1 1163 151 151 SER CB C 70.193 . 1 1164 151 151 SER N N 115.393 . 1 1165 152 152 LYS H H 8.154 . 1 1166 152 152 LYS HA H 4.093 . 1 1167 152 152 LYS HG2 H 0.855 . 2 1168 152 152 LYS HD3 H 0.844 . 2 1169 152 152 LYS CA C 62.326 . 1 1170 152 152 LYS CB C 33.071 . 1 1171 152 152 LYS CG C 20.503 . 1 1172 152 152 LYS CD C 21.321 . 1 1173 152 152 LYS N N 123.025 . 1 1174 153 153 LYS H H 7.863 . 1 1175 153 153 LYS HA H 3.356 . 1 1176 153 153 LYS CA C 57.642 . 1 1177 153 153 LYS CB C 31.609 . 1 1178 153 153 LYS N N 129.357 . 1 1179 154 154 GLY H H 7.391 . 1 1180 154 154 GLY HA2 H 3.932 . 2 1181 154 154 GLY HA3 H 3.735 . 2 1182 154 154 GLY CA C 45.825 . 1 1183 154 154 GLY N N 118.864 . 1 1184 155 155 PHE H H 8.047 . 1 1185 155 155 PHE HA H 5.202 . 1 1186 155 155 PHE HB2 H 3.108 . 2 1187 155 155 PHE HB3 H 2.673 . 2 1188 155 155 PHE CA C 55.494 . 1 1189 155 155 PHE CB C 40.669 . 1 1190 155 155 PHE N N 116.585 . 1 1191 156 156 TYR H H 8.664 . 1 1192 156 156 TYR HA H 4.347 . 1 1193 156 156 TYR HB2 H 2.870 . 2 1194 156 156 TYR HB3 H 2.750 . 2 1195 156 156 TYR CA C 56.525 . 1 1196 156 156 TYR CB C 41.830 . 1 1197 156 156 TYR N N 120.127 . 1 1198 157 157 LEU H H 7.840 . 1 1199 157 157 LEU HA H 5.249 . 1 1200 157 157 LEU HB2 H 1.437 . 2 1201 157 157 LEU HB3 H 1.117 . 2 1202 157 157 LEU HG H 1.473 . 1 1203 157 157 LEU HD1 H 0.776 . 2 1204 157 157 LEU CA C 53.302 . 1 1205 157 157 LEU CB C 44.923 . 1 1206 157 157 LEU CG C 26.703 . 1 1207 157 157 LEU CD1 C 26.359 . 1 1208 157 157 LEU N N 121.465 . 1 1209 158 158 ALA H H 8.377 . 1 1210 158 158 ALA HA H 5.236 . 1 1211 158 158 ALA HB H 0.749 . 1 1212 158 158 ALA CA C 50.337 . 1 1213 158 158 ALA CB C 24.015 . 1 1214 158 158 ALA N N 120.793 . 1 1215 159 159 PHE H H 8.960 . 1 1216 159 159 PHE HA H 5.151 . 1 1217 159 159 PHE HB2 H 2.612 . 2 1218 159 159 PHE HB3 H 2.320 . 2 1219 159 159 PHE CA C 54.978 . 1 1220 159 159 PHE CB C 41.700 . 1 1221 159 159 PHE N N 118.836 . 1 1222 160 160 GLN H H 9.133 . 1 1223 160 160 GLN HA H 4.832 . 1 1224 160 160 GLN HB2 H 1.974 . 2 1225 160 160 GLN HB3 H 1.724 . 2 1226 160 160 GLN HG2 H 1.428 . 2 1227 160 160 GLN HG3 H 1.216 . 2 1228 160 160 GLN CA C 53.524 . 1 1229 160 160 GLN CB C 32.032 . 1 1230 160 160 GLN N N 123.476 . 1 1231 161 161 ASP H H 9.568 . 1 1232 161 161 ASP HA H 5.625 . 1 1233 161 161 ASP HB2 H 2.276 . 2 1234 161 161 ASP HB3 H 2.109 . 2 1235 161 161 ASP CA C 51.884 . 1 1236 161 161 ASP CB C 46.212 . 1 1237 161 161 ASP N N 128.668 . 1 1238 162 162 VAL HA H 4.591 . 1 1239 162 162 VAL HB H 2.485 . 1 1240 162 162 VAL HG1 H 0.624 . 2 1241 162 162 VAL HG2 H 0.667 . 2 1242 162 162 VAL CA C 59.490 . 1 1243 162 162 VAL CB C 31.175 . 1 1244 162 162 VAL CG1 C 18.238 . 1 1245 162 162 VAL CG2 C 21.203 . 1 1246 163 163 GLY H H 8.421 . 1 1247 163 163 GLY HA2 H 4.391 . 2 1248 163 163 GLY HA3 H 3.655 . 2 1249 163 163 GLY CA C 46.599 . 1 1250 163 163 GLY N N 112.880 . 1 1251 164 164 ALA H H 9.998 . 1 1252 164 164 ALA HA H 4.992 . 1 1253 164 164 ALA HB H 1.160 . 1 1254 164 164 ALA CA C 50.079 . 1 1255 164 164 ALA CB C 22.750 . 1 1256 164 164 ALA N N 127.765 . 1 1257 165 165 CYS H H 9.124 . 1 1258 165 165 CYS HA H 5.442 . 1 1259 165 165 CYS HB2 H 3.447 . 2 1260 165 165 CYS HB3 H 2.516 . 2 1261 165 165 CYS CA C 56.009 . 1 1262 165 165 CYS CB C 45.052 . 1 1263 165 165 CYS N N 121.840 . 1 1264 166 166 ILE H H 8.830 . 1 1265 166 166 ILE HA H 4.990 . 1 1266 166 166 ILE HB H 1.348 . 1 1267 166 166 ILE HG12 H 1.386 . 1 1268 166 166 ILE HG13 H 0.714 . 1 1269 166 166 ILE HG2 H 0.347 . 1 1270 166 166 ILE HD1 H 0.606 . 1 1271 166 166 ILE CA C 59.877 . 1 1272 166 166 ILE CB C 43.505 . 1 1273 166 166 ILE CG1 C 27.649 . 1 1274 166 166 ILE CG2 C 15.144 . 1 1275 166 166 ILE CD1 C 17.078 . 1 1276 166 166 ILE N N 125.186 . 1 1277 167 167 ALA H H 8.381 . 1 1278 167 167 ALA HA H 5.095 . 1 1279 167 167 ALA HB H 1.205 . 1 1280 167 167 ALA CA C 51.497 . 1 1281 167 167 ALA CB C 20.430 . 1 1282 167 167 ALA N N 126.417 . 1 1283 168 168 LEU H H 9.636 . 1 1284 168 168 LEU HA H 4.421 . 1 1285 168 168 LEU HB2 H 1.412 . 2 1286 168 168 LEU HB3 H 1.282 . 2 1287 168 168 LEU HG H 0.230 . 1 1288 168 168 LEU HD1 H -0.056 . 2 1289 168 168 LEU HD2 H -0.208 . 2 1290 168 168 LEU CA C 54.204 . 1 1291 168 168 LEU CB C 42.087 . 1 1292 168 168 LEU CG C 26.617 . 1 1293 168 168 LEU CD1 C 23.523 . 1 1294 168 168 LEU CD2 C 24.426 . 1 1295 168 168 LEU N N 125.230 . 1 1296 169 169 VAL H H 8.635 . 1 1297 169 169 VAL HA H 3.827 . 1 1298 169 169 VAL HB H 1.627 . 1 1299 169 169 VAL HG1 H 0.757 . 2 1300 169 169 VAL HG2 H 0.786 . 2 1301 169 169 VAL CA C 64.260 . 1 1302 169 169 VAL CB C 32.547 . 1 1303 169 169 VAL CG1 C 20.687 . 1 1304 169 169 VAL CG2 C 21.984 . 1 1305 169 169 VAL N N 126.304 . 1 1306 170 170 SER H H 7.928 . 1 1307 170 170 SER HA H 3.811 . 1 1308 170 170 SER HB3 H 3.712 . 2 1309 170 170 SER CA C 59.022 . 1 1310 170 170 SER CB C 65.268 . 1 1311 170 170 SER N N 108.927 . 1 1312 171 171 VAL H H 8.768 . 1 1313 171 171 VAL HA H 4.898 . 1 1314 171 171 VAL HB H 2.136 . 1 1315 171 171 VAL HG1 H 0.972 . 2 1316 171 171 VAL HG2 H 1.063 . 2 1317 171 171 VAL CA C 61.681 . 1 1318 171 171 VAL CB C 36.286 . 1 1319 171 171 VAL CG1 C 21.945 . 1 1320 171 171 VAL CG2 C 22.006 . 1 1321 171 171 VAL N N 123.595 . 1 1322 172 172 ARG H H 9.222 . 1 1323 172 172 ARG HA H 5.637 . 1 1324 172 172 ARG HB2 H 2.106 . 2 1325 172 172 ARG HB3 H 1.824 . 2 1326 172 172 ARG HG2 H 1.898 . 2 1327 172 172 ARG HG3 H 1.415 . 2 1328 172 172 ARG CA C 54.591 . 1 1329 172 172 ARG CB C 34.760 . 1 1330 172 172 ARG CG C 29.906 . 1 1331 172 172 ARG N N 128.403 . 1 1332 173 173 VAL H H 9.646 . 1 1333 173 173 VAL HA H 5.575 . 1 1334 173 173 VAL HB H 2.048 . 1 1335 173 173 VAL HG1 H 1.033 . 2 1336 173 173 VAL HG2 H 1.131 . 2 1337 173 173 VAL CA C 60.134 . 1 1338 173 173 VAL CB C 33.965 . 1 1339 173 173 VAL CG1 C 22.363 . 1 1340 173 173 VAL CG2 C 22.234 . 1 1341 173 173 VAL N N 126.808 . 1 1342 174 174 PHE H H 9.537 . 1 1343 174 174 PHE HA H 5.782 . 1 1344 174 174 PHE HB2 H 2.879 . 2 1345 174 174 PHE CA C 55.751 . 1 1346 174 174 PHE CB C 42.731 . 1 1347 174 174 PHE N N 126.086 . 1 1348 175 175 TYR H H 9.133 . 1 1349 175 175 TYR HA H 5.315 . 1 1350 175 175 TYR HB2 H 3.547 . 2 1351 175 175 TYR HB3 H 2.852 . 2 1352 175 175 TYR CA C 55.494 . 1 1353 175 175 TYR CB C 41.700 . 1 1354 175 175 TYR N N 123.476 . 1 1355 176 176 LYS H H 9.132 . 1 1356 176 176 LYS HA H 4.931 . 1 1357 176 176 LYS HB2 H 1.797 . 2 1358 176 176 LYS HB3 H 1.744 . 2 1359 176 176 LYS HG2 H 1.278 . 2 1360 176 176 LYS HD2 H 1.573 . 2 1361 176 176 LYS HD3 H 1.462 . 2 1362 176 176 LYS CA C 55.527 . 1 1363 176 176 LYS CB C 34.352 . 1 1364 176 176 LYS CG C 26.401 . 1 1365 176 176 LYS N N 120.474 . 1 1366 177 177 LYS H H 8.473 . 1 1367 177 177 LYS HA H 4.350 . 1 1368 177 177 LYS HB2 H 1.775 . 2 1369 177 177 LYS HB3 H 1.598 . 2 1370 177 177 LYS HG2 H 1.363 . 2 1371 177 177 LYS HE3 H 2.868 . 2 1372 177 177 LYS CA C 56.396 . 1 1373 177 177 LYS CB C 32.025 . 1 1374 177 177 LYS CG C 25.517 . 1 1375 177 177 LYS CD C 29.665 . 1 1376 177 177 LYS N N 124.590 . 1 1377 178 178 ALA H H 8.455 . 1 1378 178 178 ALA HA H 4.609 . 1 1379 178 178 ALA CA C 53.693 . 1 1380 178 178 ALA N N 127.492 . 1 1381 180 180 LEU H H 8.272 . 1 1382 180 180 LEU HA H 4.302 . 1 1383 180 180 LEU HB2 H 1.580 . 2 1384 180 180 LEU HD1 H 1.864 . 2 1385 180 180 LEU CA C 55.492 . 1 1386 180 180 LEU CB C 42.583 . 1 1387 180 180 LEU CG C 27.254 . 1 1388 180 180 LEU CD1 C 24.932 . 1 1389 180 180 LEU CD2 C 23.934 . 1 1390 180 180 LEU N N 122.143 . 1 1391 181 181 THR H H 8.074 . 1 1392 181 181 THR N N 115.997 . 1 1393 182 182 VAL H H 8.133 . 1 1394 182 182 VAL N N 123.639 . 1 1395 183 183 ARG H H 7.884 . 1 1396 183 183 ARG N N 129.780 . 1 stop_ save_