data_17935 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N assignment and secondary structure determination of GATase subunit of GMP Synthetase from Methanococcus jannaschii ; _BMRB_accession_number 17935 _BMRB_flat_file_name bmr17935.str _Entry_type original _Submission_date 2011-09-13 _Accession_date 2011-09-13 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone and side-chain sequence specific assignments' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ali Rustam . . 2 Sarma Siddhartha P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 691 "13C chemical shifts" 395 "15N chemical shifts" 185 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-01-17 update author 'update entry citation' 2011-12-20 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C, 15N assignment and secondary structure determination of glutamine amido transferase subunit of gaunosine monophosphate synthetase from Methanocaldococcus jannaschii.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22203461 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Ali Rustam . . 2 Kumar Sanjeev . . 3 Balaram Hemalatha . . 4 Sarma Siddhartha P. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 6 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 193 _Page_last 196 _Year 2012 _Details . loop_ _Keyword '1H,13C, 15N assignment of GATase subunit' Amidotransferase. 'Ammonia channeling' 'de-novo purine nucleotide biosynthesis' 'GATase subunit' 'Glutaminase activity' GMPS M.jannaschii. NMR 'Secondary structure determination of GATase subunit' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'GATase subunit (monomer) of GMP Synthetase' _Enzyme_commission_number 'EC 6.3.4.1' loop_ _Mol_system_component_name _Mol_label 'GATase subunit' $GATase_subunit stop_ _System_molecular_weight 21019.9 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Glutaminase activity' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_GATase_subunit _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common GATase_subunit _Molecular_mass 21020.2 _Mol_thiol_state 'all free' loop_ _Biological_function 'Glutaminase activity' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 188 _Mol_residue_sequence ; MIVILDNGGQYVHRIHRSLK YIGVSSKIVPNTTPLEEIES NKEVKGIILSGGPDIEKAKN CIDIALNAKLPILGICLGHQ LIALAYGGEVGRAEAEEYAL TKVYVDKENDLFKNVPREFN AWASHKDEVKKVPEGFEILA HSDICQVEAMKHKTKPIYGV QFHPEVAHTEYGNEILKNFC KVCGYKFE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ILE 3 VAL 4 ILE 5 LEU 6 ASP 7 ASN 8 GLY 9 GLY 10 GLN 11 TYR 12 VAL 13 HIS 14 ARG 15 ILE 16 HIS 17 ARG 18 SER 19 LEU 20 LYS 21 TYR 22 ILE 23 GLY 24 VAL 25 SER 26 SER 27 LYS 28 ILE 29 VAL 30 PRO 31 ASN 32 THR 33 THR 34 PRO 35 LEU 36 GLU 37 GLU 38 ILE 39 GLU 40 SER 41 ASN 42 LYS 43 GLU 44 VAL 45 LYS 46 GLY 47 ILE 48 ILE 49 LEU 50 SER 51 GLY 52 GLY 53 PRO 54 ASP 55 ILE 56 GLU 57 LYS 58 ALA 59 LYS 60 ASN 61 CYS 62 ILE 63 ASP 64 ILE 65 ALA 66 LEU 67 ASN 68 ALA 69 LYS 70 LEU 71 PRO 72 ILE 73 LEU 74 GLY 75 ILE 76 CYS 77 LEU 78 GLY 79 HIS 80 GLN 81 LEU 82 ILE 83 ALA 84 LEU 85 ALA 86 TYR 87 GLY 88 GLY 89 GLU 90 VAL 91 GLY 92 ARG 93 ALA 94 GLU 95 ALA 96 GLU 97 GLU 98 TYR 99 ALA 100 LEU 101 THR 102 LYS 103 VAL 104 TYR 105 VAL 106 ASP 107 LYS 108 GLU 109 ASN 110 ASP 111 LEU 112 PHE 113 LYS 114 ASN 115 VAL 116 PRO 117 ARG 118 GLU 119 PHE 120 ASN 121 ALA 122 TRP 123 ALA 124 SER 125 HIS 126 LYS 127 ASP 128 GLU 129 VAL 130 LYS 131 LYS 132 VAL 133 PRO 134 GLU 135 GLY 136 PHE 137 GLU 138 ILE 139 LEU 140 ALA 141 HIS 142 SER 143 ASP 144 ILE 145 CYS 146 GLN 147 VAL 148 GLU 149 ALA 150 MET 151 LYS 152 HIS 153 LYS 154 THR 155 LYS 156 PRO 157 ILE 158 TYR 159 GLY 160 VAL 161 GLN 162 PHE 163 HIS 164 PRO 165 GLU 166 VAL 167 ALA 168 HIS 169 THR 170 GLU 171 TYR 172 GLY 173 ASN 174 GLU 175 ILE 176 LEU 177 LYS 178 ASN 179 PHE 180 CYS 181 LYS 182 VAL 183 CYS 184 GLY 185 TYR 186 LYS 187 PHE 188 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-16 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LXN "Solution Nmr Structure Of Glutamine Amido Transferase Subunit Of Gaunosine Monophosphate Synthetase From Methanocaldococcus Jan" 100.00 188 100.00 100.00 2.44e-133 GB AAB99597 "GMP synthase (guaA) [Methanocaldococcus jannaschii DSM 2661]" 100.00 188 100.00 100.00 2.44e-133 SP Q58970 "RecName: Full=GMP synthase [glutamine-hydrolyzing] subunit A; AltName: Full=Glutamine amidotransferase" 100.00 188 100.00 100.00 2.44e-133 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $GATase_subunit 'Methanococcus jannaschii' 2190 Archaea . Methanococcus jannaschii 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 $GATase_subunit 'recombinant technology' . Escherichia coli 'BL21 (DE3)' pET3atr 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 $GATase_subunit 0.7 mM '[U-99% 15N]' D2O 10 % 'natural abundance' H2O 90 % 'natural abundance' PMSF 1 mM 'natural abundance' 'potassium phosphate' 20 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' DTT 2 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $GATase_subunit 0.6 mM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'potassium phosphate' 20 mM 'natural abundance' EDTA 0.1 mM 'natural abundance' DTT 2 mM 'natural abundance' PMSF 1 mM 'natural abundance' 'sodium azide' 0.01 % 'natural abundance' 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_CCPN _Saveframe_category software _Name CCPN _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _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_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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_HNHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _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 pH 7.0 . pH pressure 1 . atm temperature 303 . 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 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 external indirect . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 external indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCA' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HNCACB' '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D HNHA' '3D HCCH-TOCSY' '3D HCCH-COSY' 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 'GATase subunit' _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 1 1 MET CA C 55.555 . . 2 1 1 MET CB C 37.924 . . 3 2 2 ILE H H 8.203 . . 4 2 2 ILE HA H 4.736 . . 5 2 2 ILE HB H 1.724 . . 6 2 2 ILE HG13 H 1.490 . . 7 2 2 ILE HG2 H 1.175 . . 8 2 2 ILE HD1 H 0.841 . . 9 2 2 ILE CA C 57.766 . . 10 2 2 ILE CB C 38.694 . . 11 2 2 ILE CD1 C 11.693 . . 12 2 2 ILE N N 126.193 . . 13 3 3 VAL H H 8.259 . . 14 3 3 VAL HA H 3.976 . . 15 3 3 VAL HB H 1.837 . . 16 3 3 VAL HG1 H 0.782 . . 17 3 3 VAL HG2 H 0.992 . . 18 3 3 VAL CA C 61.317 . . 19 3 3 VAL CB C 33.333 . . 20 3 3 VAL N N 124.879 . . 21 4 4 ILE H H 9.086 . . 22 4 4 ILE HA H 4.743 . . 23 4 4 ILE HB H 1.700 . . 24 4 4 ILE HG2 H 0.498 . . 25 4 4 ILE CA C 59.283 . . 26 4 4 ILE CB C 40.724 . . 27 4 4 ILE CG2 C 16.830 . . 28 4 4 ILE N N 127.830 . . 29 5 5 LEU H H 9.285 . . 30 5 5 LEU HA H 4.461 . . 31 5 5 LEU HB3 H 1.630 . . 32 5 5 LEU HD1 H 0.795 . . 33 5 5 LEU CA C 55.077 . . 34 5 5 LEU CB C 41.641 . . 35 5 5 LEU CD1 C 25.478 . . 36 5 5 LEU CD2 C 24.856 . . 37 5 5 LEU N N 129.482 . . 38 6 6 ASP H H 8.476 . . 39 6 6 ASP HA H 4.081 . . 40 6 6 ASP HB3 H 2.985 . . 41 6 6 ASP CA C 53.130 . . 42 6 6 ASP CB C 40.535 . . 43 6 6 ASP N N 121.358 . . 44 7 7 ASN H H 9.195 . . 45 7 7 ASN HD21 H 6.999 . . 46 7 7 ASN HD22 H 7.565 . . 47 7 7 ASN CA C 53.118 . . 48 7 7 ASN CB C 38.292 . . 49 7 7 ASN N N 124.294 . . 50 7 7 ASN ND2 N 110.634 . . 51 8 8 GLY H H 9.224 . . 52 8 8 GLY CA C 46.359 . . 53 8 8 GLY N N 108.557 . . 54 9 9 GLY H H 7.540 . . 55 9 9 GLY CA C 44.910 . . 56 9 9 GLY N N 106.753 . . 57 10 10 GLN H H 7.257 . . 58 10 10 GLN N N 117.114 . . 59 11 11 TYR CA C 56.165 . . 60 11 11 TYR CB C 38.250 . . 61 12 12 VAL H H 7.063 . . 62 12 12 VAL HA H 3.550 . . 63 12 12 VAL HB H 2.089 . . 64 12 12 VAL HG2 H 0.834 . . 65 12 12 VAL CA C 67.683 . . 66 12 12 VAL CB C 31.676 . . 67 12 12 VAL CG2 C 21.293 . . 68 12 12 VAL N N 121.672 . . 69 13 13 HIS H H 8.621 . . 70 13 13 HIS CA C 59.987 . . 71 13 13 HIS CB C 29.795 . . 72 13 13 HIS N N 116.813 . . 73 14 14 ARG H H 7.622 . . 74 14 14 ARG HA H 3.951 . . 75 14 14 ARG HB3 H 2.155 . . 76 14 14 ARG HD2 H 3.217 . . 77 14 14 ARG CA C 58.167 . . 78 14 14 ARG CB C 28.113 . . 79 14 14 ARG N N 118.479 . . 80 15 15 ILE H H 8.023 . . 81 15 15 ILE HA H 4.436 . . 82 15 15 ILE HB H 1.849 . . 83 15 15 ILE HG12 H 1.242 . . 84 15 15 ILE HG13 H 1.242 . . 85 15 15 ILE HG2 H 0.994 . . 86 15 15 ILE HD1 H 0.990 . . 87 15 15 ILE CA C 66.400 . . 88 15 15 ILE CB C 38.233 . . 89 15 15 ILE CG1 C 22.723 . . 90 15 15 ILE CG2 C 14.025 . . 91 15 15 ILE CD1 C 14.815 . . 92 15 15 ILE N N 121.228 . . 93 16 16 HIS H H 6.557 . . 94 16 16 HIS HA H 4.185 . . 95 16 16 HIS HB3 H 2.751 . . 96 16 16 HIS CA C 59.251 . . 97 16 16 HIS CB C 30.214 . . 98 16 16 HIS N N 117.439 . . 99 17 17 ARG H H 8.217 . . 100 17 17 ARG CA C 59.550 . . 101 17 17 ARG CB C 30.387 . . 102 17 17 ARG N N 118.906 . . 103 18 18 SER H H 8.595 . . 104 18 18 SER HA H 4.217 . . 105 18 18 SER HB2 H 3.843 . . 106 18 18 SER HB3 H 3.803 . . 107 18 18 SER CA C 62.952 . . 108 18 18 SER CB C 63.730 . . 109 18 18 SER N N 118.264 . . 110 19 19 LEU H H 7.761 . . 111 19 19 LEU HA H 3.821 . . 112 19 19 LEU HB2 H 1.586 . . 113 19 19 LEU HB3 H 1.779 . . 114 19 19 LEU HD2 H 0.687 . . 115 19 19 LEU CA C 57.41 . . 116 19 19 LEU CB C 39.666 . . 117 19 19 LEU N N 119.648 . . 118 20 20 LYS H H 7.791 . . 119 20 20 LYS HA H 3.750 . . 120 20 20 LYS HB3 H 1.570 . . 121 20 20 LYS HG3 H 1.269 . . 122 20 20 LYS HE3 H 3.181 . . 123 20 20 LYS HZ H 7.129 . . 124 20 20 LYS CA C 59.427 . . 125 20 20 LYS CB C 31.821 . . 126 20 20 LYS N N 120.869 . . 127 21 21 TYR H H 8.009 . . 128 21 21 TYR HA H 4.183 . . 129 21 21 TYR HB3 H 3.226 . . 130 21 21 TYR HD1 H 7.066 . . 131 21 21 TYR HD2 H 7.066 . . 132 21 21 TYR HE1 H 6.591 . . 133 21 21 TYR HE2 H 6.591 . . 134 21 21 TYR CA C 60.935 . . 135 21 21 TYR CB C 37.907 . . 136 21 21 TYR N N 120.488 . . 137 22 22 ILE H H 7.405 . . 138 22 22 ILE HA H 4.228 . . 139 22 22 ILE HB H 2.068 . . 140 22 22 ILE HG2 H 0.823 . . 141 22 22 ILE CA C 61.942 . . 142 22 22 ILE CB C 38.200 . . 143 22 22 ILE CG1 C 27.549 . . 144 22 22 ILE CD1 C 14.029 . . 145 22 22 ILE N N 111.401 . . 146 23 23 GLY H H 7.738 . . 147 23 23 GLY HA2 H 3.667 . . 148 23 23 GLY HA3 H 4.230 . . 149 23 23 GLY CA C 45.537 . . 150 23 23 GLY N N 108.408 . . 151 24 24 VAL H H 8.201 . . 152 24 24 VAL HA H 3.806 . . 153 24 24 VAL HB H 2.031 . . 154 24 24 VAL HG1 H 1.533 . . 155 24 24 VAL HG2 H 0.478 . . 156 24 24 VAL CA C 61.816 . . 157 24 24 VAL CB C 33.933 . . 158 24 24 VAL CG2 C 21.271 . . 159 24 24 VAL N N 123.859 . . 160 25 25 SER H H 8.363 . . 161 25 25 SER HA H 4.391 . . 162 25 25 SER HB2 H 3.872 . . 163 25 25 SER HB3 H 3.881 . . 164 25 25 SER CA C 58.595 . . 165 25 25 SER CB C 64.035 . . 166 25 25 SER N N 123.531 . . 167 26 26 SER H H 7.926 . . 168 26 26 SER HA H 5.658 . . 169 26 26 SER HB2 H 3.771 . . 170 26 26 SER HB3 H 3.785 . . 171 26 26 SER CA C 57.708 . . 172 26 26 SER CB C 67.924 . . 173 26 26 SER N N 114.608 . . 174 27 27 LYS H H 8.252 . . 175 27 27 LYS HA H 4.659 . . 176 27 27 LYS HG3 H 1.342 . . 177 27 27 LYS CA C 54.863 . . 178 27 27 LYS CB C 36.833 . . 179 27 27 LYS N N 119.005 . . 180 28 28 ILE H H 8.677 . . 181 28 28 ILE HA H 4.745 . . 182 28 28 ILE HB H 2.010 . . 183 28 28 ILE HG12 H 1.580 . . 184 28 28 ILE HG13 H 1.512 . . 185 28 28 ILE HG2 H 0.782 . . 186 28 28 ILE HD1 H 0.726 . . 187 28 28 ILE CA C 61.102 . . 188 28 28 ILE CB C 38.619 . . 189 28 28 ILE CG2 C 15.420 . . 190 28 28 ILE N N 126.252 . . 191 29 29 VAL H H 9.237 . . 192 29 29 VAL HA H 5.037 . . 193 29 29 VAL HB H 2.370 . . 194 29 29 VAL HG1 H 0.689 . . 195 29 29 VAL HG2 H 0.832 . . 196 29 29 VAL CA C 57.158 . . 197 29 29 VAL CB C 32.642 . . 198 29 29 VAL CG1 C 19.640 . . 199 29 29 VAL CG2 C 21.284 . . 200 29 29 VAL N N 122.783 . . 201 30 30 PRO HA H 3.941 . . 202 30 30 PRO CA C 62.635 . . 203 30 30 PRO CB C 32.780 . . 204 30 30 PRO N N 111.914 . . 205 31 31 ASN H H 9.057 . . 206 31 31 ASN HA H 4.200 . . 207 31 31 ASN HB2 H 2.055 . . 208 31 31 ASN HB3 H 2.534 . . 209 31 31 ASN HD21 H 6.603 . . 210 31 31 ASN HD22 H 6.800 . . 211 31 31 ASN CA C 53.978 . . 212 31 31 ASN CB C 36.798 . . 213 31 31 ASN N N 122.515 . . 214 31 31 ASN ND2 N 111.724 . . 215 32 32 THR H H 7.036 . . 216 32 32 THR HA H 4.463 . . 217 32 32 THR HB H 3.927 . . 218 32 32 THR HG1 H 1.220 . . 219 32 32 THR HG2 H 0.842 . . 220 32 32 THR CA C 60.647 . . 221 32 32 THR CB C 68.928 . . 222 32 32 THR N N 106.596 . . 223 33 33 THR H H 7.500 . . 224 33 33 THR HA H 4.545 . . 225 33 33 THR HB H 3.917 . . 226 33 33 THR HG2 H 1.220 . . 227 33 33 THR CA C 62.647 . . 228 33 33 THR CB C 71.069 . . 229 33 33 THR N N 122.480 . . 230 34 34 PRO HA H 4.244 . . 231 34 34 PRO CA C 62.481 . . 232 34 34 PRO CB C 33.042 . . 233 34 34 PRO CD C 51.310 . . 234 35 35 LEU H H 9.189 . . 235 35 35 LEU HA H 4.623 . . 236 35 35 LEU HB2 H 1.514 . . 237 35 35 LEU HB3 H 1.984 . . 238 35 35 LEU HG H 1.534 . . 239 35 35 LEU HD2 H 0.584 . . 240 35 35 LEU CA C 58.179 . . 241 35 35 LEU CB C 41.563 . . 242 35 35 LEU CD2 C 23.718 . . 243 35 35 LEU N N 124.807 . . 244 36 36 GLU H H 9.230 . . 245 36 36 GLU HA H 4.075 . . 246 36 36 GLU HB2 H 2.227 . . 247 36 36 GLU HB3 H 2.408 . . 248 36 36 GLU CA C 59.487 . . 249 36 36 GLU CB C 28.972 . . 250 36 36 GLU N N 115.958 . . 251 37 37 GLU H H 7.287 . . 252 37 37 GLU HA H 4.054 . . 253 37 37 GLU HB3 H 2.091 . . 254 37 37 GLU CA C 58.475 . . 255 37 37 GLU CB C 29.678 . . 256 37 37 GLU N N 118.236 . . 257 38 38 ILE H H 7.491 . . 258 38 38 ILE HA H 3.706 . . 259 38 38 ILE HB H 2.032 . . 260 38 38 ILE HG13 H 1.505 . . 261 38 38 ILE HD1 H 0.800 . . 262 38 38 ILE CA C 65.619 . . 263 38 38 ILE CB C 38.876 . . 264 38 38 ILE CD1 C 15.682 . . 265 38 38 ILE N N 120.781 . . 266 39 39 GLU H H 8.114 . . 267 39 39 GLU HA H 3.987 . . 268 39 39 GLU CA C 58.903 . . 269 39 39 GLU CB C 29.863 . . 270 39 39 GLU N N 112.919 . . 271 40 40 SER H H 7.450 . . 272 40 40 SER HA H 4.146 . . 273 40 40 SER CA C 60.00 . . 274 40 40 SER CB C 63.336 . . 275 40 40 SER N N 111.840 . . 276 41 41 ASN H H 7.168 . . 277 41 41 ASN HA H 4.792 . . 278 41 41 ASN CA C 51.960 . . 279 41 41 ASN CB C 38.161 . . 280 41 41 ASN N N 120.122 . . 281 42 42 LYS H H 8.826 . . 282 42 42 LYS HA H 4.129 . . 283 42 42 LYS HB2 H 1.842 . . 284 42 42 LYS HB3 H 1.903 . . 285 42 42 LYS HD2 H 1.565 . . 286 42 42 LYS HD3 H 1.565 . . 287 42 42 LYS CA C 57.173 . . 288 42 42 LYS CB C 31.173 . . 289 42 42 LYS N N 125.123 . . 290 43 43 GLU H H 8.232 . . 291 43 43 GLU HA H 4.134 . . 292 43 43 GLU HB3 H 1.978 . . 293 43 43 GLU HG3 H 2.554 . . 294 43 43 GLU CA C 56.785 . . 295 43 43 GLU CB C 30.338 . . 296 43 43 GLU N N 116.780 . . 297 44 44 VAL H H 7.467 . . 298 44 44 VAL HA H 4.238 . . 299 44 44 VAL HB H 2.251 . . 300 44 44 VAL HG2 H 0.988 . . 301 44 44 VAL CA C 63.623 . . 302 44 44 VAL CB C 31.145 . . 303 44 44 VAL N N 119.413 . . 304 45 45 LYS H H 9.197 . . 305 45 45 LYS HA H 5.263 . . 306 45 45 LYS HE3 H 2.965 . . 307 45 45 LYS CA C 55.140 . . 308 45 45 LYS CB C 34.321 . . 309 45 45 LYS N N 124.406 . . 310 46 46 GLY H H 7.531 . . 311 46 46 GLY CA C 45.788 . . 312 46 46 GLY N N 103.662 . . 313 47 47 ILE H H 8.788 . . 314 47 47 ILE HA H 5.187 . . 315 47 47 ILE HB H 1.696 . . 316 47 47 ILE HG12 H 1.477 . . 317 47 47 ILE HG13 H 1.692 . . 318 47 47 ILE HG2 H 0.778 . . 319 47 47 ILE HD1 H 0.692 . . 320 47 47 ILE CA C 60.182 . . 321 47 47 ILE CB C 42.581 . . 322 47 47 ILE CG2 C 18.392 . . 323 47 47 ILE CD1 C 14.136 . . 324 47 47 ILE N N 119.903 . . 325 48 48 ILE H H 9.246 . . 326 48 48 ILE HA H 5.296 . . 327 48 48 ILE HB H 1.562 . . 328 48 48 ILE HG13 H 1.542 . . 329 48 48 ILE HG2 H 0.735 . . 330 48 48 ILE CA C 59.095 . . 331 48 48 ILE CB C 41.390 . . 332 48 48 ILE CG2 C 16.621 . . 333 48 48 ILE N N 124.384 . . 334 49 49 LEU H H 9.235 . . 335 49 49 LEU HA H 4.795 . . 336 49 49 LEU HB3 H 1.684 . . 337 49 49 LEU CA C 52.793 . . 338 49 49 LEU CB C 42.737 . . 339 49 49 LEU N N 126.190 . . 340 50 50 SER H H 7.979 . . 341 50 50 SER CA C 60.061 . . 342 50 50 SER CB C 66.609 . . 343 50 50 SER N N 120.932 . . 344 51 51 GLY H H 9.180 . . 345 51 51 GLY CA C 46.001 . . 346 51 51 GLY N N 105.259 . . 347 52 52 GLY H H 9.073 . . 348 52 52 GLY CA C 45.919 . . 349 52 52 GLY N N 110.693 . . 350 53 53 PRO HA H 4.542 . . 351 53 53 PRO HB3 H 2.381 . . 352 53 53 PRO HG3 H 1.618 . . 353 53 53 PRO HD3 H 3.799 . . 354 53 53 PRO CA C 64.592 . . 355 53 53 PRO CB C 32.995 . . 356 54 54 ASP H H 8.012 . . 357 54 54 ASP HA H 4.994 . . 358 54 54 ASP HB2 H 2.582 . . 359 54 54 ASP HB3 H 2.646 . . 360 54 54 ASP CA C 53.027 . . 361 54 54 ASP CB C 43.775 . . 362 54 54 ASP N N 119.166 . . 363 55 55 ILE H H 9.112 . . 364 55 55 ILE HA H 3.583 . . 365 55 55 ILE HB H 1.810 . . 366 55 55 ILE HG2 H 0.778 . . 367 55 55 ILE CA C 64.657 . . 368 55 55 ILE CB C 38.541 . . 369 55 55 ILE N N 129.976 . . 370 56 56 GLU H H 8.201 . . 371 56 56 GLU HA H 4.018 . . 372 56 56 GLU HB2 H 2.092 . . 373 56 56 GLU HB3 H 2.081 . . 374 56 56 GLU HG3 H 2.676 . . 375 56 56 GLU CA C 58.515 . . 376 56 56 GLU CB C 28.871 . . 377 56 56 GLU N N 119.685 . . 378 57 57 LYS H H 7.352 . . 379 57 57 LYS HA H 4.321 . . 380 57 57 LYS HB3 H 2.105 . . 381 57 57 LYS HD3 H 1.611 . . 382 57 57 LYS HE3 H 2.974 . . 383 57 57 LYS CA C 56.318 . . 384 57 57 LYS CB C 32.462 . . 385 57 57 LYS N N 117.166 . . 386 58 58 ALA H H 7.319 . . 387 58 58 ALA HA H 4.102 . . 388 58 58 ALA HB H 1.250 . . 389 58 58 ALA CA C 51.350 . . 390 58 58 ALA CB C 21.481 . . 391 58 58 ALA N N 121.765 . . 392 59 59 LYS H H 7.641 . . 393 59 59 LYS HA H 3.873 . . 394 59 59 LYS HG3 H 0.815 . . 395 59 59 LYS CA C 60.102 . . 396 59 59 LYS CB C 31.937 . . 397 59 59 LYS N N 118.476 . . 398 60 60 ASN H H 8.818 . . 399 60 60 ASN HA H 4.577 . . 400 60 60 ASN HB3 H 1.941 . . 401 60 60 ASN HD21 H 7.621 . . 402 60 60 ASN HD22 H 7.007 . . 403 60 60 ASN CA C 56.527 . . 404 60 60 ASN CB C 38.649 . . 405 60 60 ASN N N 117.036 . . 406 60 60 ASN ND2 N 117.314 . . 407 61 61 CYS H H 8.204 . . 408 61 61 CYS HA H 3.897 . . 409 61 61 CYS CA C 62.659 . . 410 61 61 CYS CB C 28.252 . . 411 61 61 CYS N N 112.082 . . 412 62 62 ILE H H 7.704 . . 413 62 62 ILE HA H 3.446 . . 414 62 62 ILE HB H 2.077 . . 415 62 62 ILE HG13 H 1.537 . . 416 62 62 ILE HG2 H 0.799 . . 417 62 62 ILE CA C 64.984 . . 418 62 62 ILE CB C 36.727 . . 419 62 62 ILE CG1 C 28.244 . . 420 62 62 ILE CG2 C 17.510 . . 421 62 62 ILE N N 120.436 . . 422 63 63 ASP H H 6.969 . . 423 63 63 ASP HA H 4.246 . . 424 63 63 ASP HB3 H 2.695 . . 425 63 63 ASP CA C 57.778 . . 426 63 63 ASP CB C 41.859 . . 427 63 63 ASP N N 118.563 . . 428 64 64 ILE H H 7.302 . . 429 64 64 ILE HA H 3.588 . . 430 64 64 ILE HB H 1.837 . . 431 64 64 ILE HG2 H 0.836 . . 432 64 64 ILE CA C 64.870 . . 433 64 64 ILE CB C 37.713 . . 434 64 64 ILE CG2 C 17.591 . . 435 64 64 ILE N N 116.945 . . 436 65 65 ALA H H 8.206 . . 437 65 65 ALA HA H 4.088 . . 438 65 65 ALA HB H 1.385 . . 439 65 65 ALA CA C 54.734 . . 440 65 65 ALA CB C 17.811 . . 441 65 65 ALA N N 118.906 . . 442 66 66 LEU H H 8.012 . . 443 66 66 LEU HA H 3.954 . . 444 66 66 LEU HD2 H 0.802 . . 445 66 66 LEU CA C 57.414 . . 446 66 66 LEU CB C 43.663 . . 447 66 66 LEU N N 117.510 . . 448 67 67 ASN H H 7.683 . . 449 67 67 ASN HA H 4.916 . . 450 67 67 ASN HB2 H 2.556 . . 451 67 67 ASN HB3 H 1.939 . . 452 67 67 ASN CA C 54.231 . . 453 67 67 ASN CB C 40.679 . . 454 67 67 ASN N N 112.132 . . 455 67 67 ASN ND2 N 112.569 . . 456 68 68 ALA H H 8.570 . . 457 68 68 ALA HA H 4.351 . . 458 68 68 ALA HB H 1.455 . . 459 68 68 ALA CA C 53.773 . . 460 68 68 ALA CB C 19.535 . . 461 68 68 ALA N N 124.035 . . 462 69 69 LYS H H 10.608 . . 463 69 69 LYS HA H 4.516 . . 464 69 69 LYS HG3 H 0.813 . . 465 69 69 LYS HZ H 6.975 . . 466 69 69 LYS CA C 55.504 . . 467 69 69 LYS CB C 32.350 . . 468 69 69 LYS N N 123.656 . . 469 70 70 LEU H H 6.643 . . 470 70 70 LEU HA H 4.485 . . 471 70 70 LEU HB2 H 1.450 . . 472 70 70 LEU HB3 H 1.456 . . 473 70 70 LEU HG H 1.276 . . 474 70 70 LEU HD2 H 1.452 . . 475 70 70 LEU CA C 52.034 . . 476 70 70 LEU CB C 44.896 . . 477 70 70 LEU N N 120.568 . . 478 71 71 PRO HA H 5.121 . . 479 71 71 PRO HB3 H 2.396 . . 480 71 71 PRO HG3 H 1.760 . . 481 71 71 PRO HD3 H 3.551 . . 482 71 71 PRO CA C 62.944 . . 483 71 71 PRO CB C 33.535 . . 484 72 72 ILE H H 8.740 . . 485 72 72 ILE HA H 5.548 . . 486 72 72 ILE HB H 1.903 . . 487 72 72 ILE HG2 H 0.854 . . 488 72 72 ILE CA C 59.183 . . 489 72 72 ILE CB C 43.938 . . 490 72 72 ILE CG2 C 16.914 . . 491 72 72 ILE N N 120.135 . . 492 73 73 LEU H H 8.329 . . 493 73 73 LEU HA H 5.217 . . 494 73 73 LEU HB3 H 1.727 . . 495 73 73 LEU HD2 H 0.855 . . 496 73 73 LEU CA C 53.674 . . 497 73 73 LEU CB C 42.632 . . 498 73 73 LEU CD1 C 20.041 . . 499 73 73 LEU CD2 C 23.584 . . 500 73 73 LEU N N 127.624 . . 501 74 74 GLY H H 9.604 . . 502 74 74 GLY CA C 43.919 . . 503 74 74 GLY N N 114.523 . . 504 75 75 ILE H H 8.297 . . 505 75 75 ILE HA H 4.470 . . 506 75 75 ILE HB H 1.582 . . 507 75 75 ILE HG13 H 1.604 . . 508 75 75 ILE HG2 H 0.838 . . 509 75 75 ILE HD1 H 1.002 . . 510 75 75 ILE CA C 61.383 . . 511 75 75 ILE CB C 41.548 . . 512 75 75 ILE N N 125.900 . . 513 76 76 CYS H H 9.792 . . 514 76 76 CYS CA C 65.256 . . 515 76 76 CYS CB C 26.377 . . 516 76 76 CYS N N 129.101 . . 517 77 77 LEU H H 8.569 . . 518 77 77 LEU HD2 H 0.842 . . 519 77 77 LEU CA C 58.912 . . 520 77 77 LEU CB C 42.302 . . 521 77 77 LEU N N 130.852 . . 522 78 78 GLY H H 8.096 . . 523 78 78 GLY HA2 H 3.509 . . 524 78 78 GLY HA3 H 3.566 . . 525 78 78 GLY CA C 48.559 . . 526 78 78 GLY N N 102.906 . . 527 79 79 HIS H H 6.425 . . 528 79 79 HIS HA H 4.245 . . 529 79 79 HIS HB3 H 2.871 . . 530 79 79 HIS CA C 58.924 . . 531 79 79 HIS CB C 32.735 . . 532 79 79 HIS N N 123.670 . . 533 80 80 GLN H H 7.631 . . 534 80 80 GLN HA H 3.249 . . 535 80 80 GLN HB3 H 1.913 . . 536 80 80 GLN CA C 58.648 . . 537 80 80 GLN CB C 25.965 . . 538 80 80 GLN N N 118.378 . . 539 81 81 LEU H H 8.820 . . 540 81 81 LEU HA H 3.954 . . 541 81 81 LEU HB3 H 1.726 . . 542 81 81 LEU HD2 H 0.822 . . 543 81 81 LEU CA C 58.360 . . 544 81 81 LEU CB C 42.434 . . 545 81 81 LEU N N 119.590 . . 546 82 82 ILE H H 7.412 . . 547 82 82 ILE HA H 4.259 . . 548 82 82 ILE HB H 1.987 . . 549 82 82 ILE HG2 H 0.853 . . 550 82 82 ILE CA C 66.782 . . 551 82 82 ILE CB C 38.176 . . 552 82 82 ILE N N 119.139 . . 553 83 83 ALA H H 7.324 . . 554 83 83 ALA HA H 3.359 . . 555 83 83 ALA HB H 1.584 . . 556 83 83 ALA CA C 54.765 . . 557 83 83 ALA CB C 19.034 . . 558 83 83 ALA N N 118.652 . . 559 84 84 LEU H H 7.999 . . 560 84 84 LEU HA H 3.951 . . 561 84 84 LEU HB2 H 2.116 . . 562 84 84 LEU HB3 H 1.658 . . 563 84 84 LEU HD1 H 0.786 . . 564 84 84 LEU HD2 H 0.809 . . 565 84 84 LEU CA C 57.580 . . 566 84 84 LEU CB C 42.286 . . 567 84 84 LEU CD1 C 25.383 . . 568 84 84 LEU CD2 C 26.174 . . 569 84 84 LEU N N 117.604 . . 570 85 85 ALA H H 8.576 . . 571 85 85 ALA HA H 3.811 . . 572 85 85 ALA HB H 1.435 . . 573 85 85 ALA CA C 54.891 . . 574 85 85 ALA CB C 19.695 . . 575 85 85 ALA N N 122.651 . . 576 86 86 TYR H H 7.184 . . 577 86 86 TYR HA H 4.303 . . 578 86 86 TYR HD1 H 6.756 . . 579 86 86 TYR HD2 H 6.756 . . 580 86 86 TYR CA C 58.400 . . 581 86 86 TYR CB C 38.858 . . 582 86 86 TYR N N 110.860 . . 583 87 87 GLY H H 7.704 . . 584 87 87 GLY CA C 47.173 . . 585 87 87 GLY N N 107.657 . . 586 88 88 GLY H H 8.602 . . 587 88 88 GLY HA2 H 3.997 . . 588 88 88 GLY HA3 H 3.039 . . 589 88 88 GLY CA C 43.324 . . 590 88 88 GLY N N 108.070 . . 591 89 89 GLU H H 7.931 . . 592 89 89 GLU HA H 4.796 . . 593 89 89 GLU HB2 H 2.085 . . 594 89 89 GLU HB3 H 2.090 . . 595 89 89 GLU CA C 54.804 . . 596 89 89 GLU CB C 33.417 . . 597 89 89 GLU N N 114.795 . . 598 90 90 VAL H H 8.770 . . 599 90 90 VAL HA H 4.891 . . 600 90 90 VAL HB H 1.798 . . 601 90 90 VAL HG1 H 0.775 . . 602 90 90 VAL HG2 H 0.760 . . 603 90 90 VAL CA C 60.048 . . 604 90 90 VAL CB C 35.504 . . 605 90 90 VAL CG2 C 22.749 . . 606 90 90 VAL N N 124.308 . . 607 91 91 GLY H H 8.413 . . 608 91 91 GLY CA C 45.018 . . 609 91 91 GLY N N 111.015 . . 610 92 92 ARG H H 8.317 . . 611 92 92 ARG HA H 4.889 . . 612 92 92 ARG HB2 H 2.126 . . 613 92 92 ARG HB3 H 1.805 . . 614 92 92 ARG HD2 H 3.284 . . 615 92 92 ARG HD3 H 3.297 . . 616 92 92 ARG CA C 56.041 . . 617 92 92 ARG CB C 31.352 . . 618 92 92 ARG CG C 26.121 . . 619 92 92 ARG CD C 42.518 . . 620 92 92 ARG N N 120.053 . . 621 93 93 ALA H H 8.413 . . 622 93 93 ALA HA H 4.856 . . 623 93 93 ALA HB H 1.231 . . 624 93 93 ALA CA C 50.689 . . 625 93 93 ALA CB C 19.760 . . 626 93 93 ALA N N 129.455 . . 627 94 94 GLU H H 8.012 . . 628 94 94 GLU HA H 4.314 . . 629 94 94 GLU CA C 57.401 . . 630 94 94 GLU CB C 31.064 . . 631 94 94 GLU N N 115.856 . . 632 95 95 ALA H H 7.731 . . 633 95 95 ALA HA H 4.635 . . 634 95 95 ALA HB H 1.178 . . 635 95 95 ALA CA C 51.088 . . 636 95 95 ALA CB C 18.727 . . 637 95 95 ALA N N 123.589 . . 638 96 96 GLU H H 8.288 . . 639 96 96 GLU HA H 3.486 . . 640 96 96 GLU HB2 H 1.919 . . 641 96 96 GLU HB3 H 2.027 . . 642 96 96 GLU HG3 H 2.131 . . 643 96 96 GLU CA C 58.264 . . 644 96 96 GLU CB C 30.121 . . 645 96 96 GLU CG C 35.533 . . 646 96 96 GLU N N 122.498 . . 647 97 97 GLU H H 8.522 . . 648 97 97 GLU HA H 4.094 . . 649 97 97 GLU HB3 H 1.900 . . 650 97 97 GLU HG3 H 2.208 . . 651 97 97 GLU CA C 56.483 . . 652 97 97 GLU CB C 29.470 . . 653 97 97 GLU N N 121.250 . . 654 98 98 TYR H H 8.197 . . 655 98 98 TYR HA H 4.386 . . 656 98 98 TYR HD1 H 6.773 . . 657 98 98 TYR HD2 H 6.773 . . 658 98 98 TYR CA C 59.159 . . 659 98 98 TYR CB C 39.221 . . 660 98 98 TYR N N 121.091 . . 661 99 99 ALA H H 8.002 . . 662 99 99 ALA HA H 3.998 . . 663 99 99 ALA HB H 1.152 . . 664 99 99 ALA CA C 50.935 . . 665 99 99 ALA CB C 22.674 . . 666 99 99 ALA N N 123.809 . . 667 100 100 LEU H H 8.650 . . 668 100 100 LEU HA H 4.667 . . 669 100 100 LEU HB2 H 1.602 . . 670 100 100 LEU HB3 H 1.613 . . 671 100 100 LEU HG H 0.614 . . 672 100 100 LEU CA C 55.444 . . 673 100 100 LEU CB C 42.422 . . 674 100 100 LEU N N 123.159 . . 675 101 101 THR H H 9.635 . . 676 101 101 THR HA H 4.288 . . 677 101 101 THR HB H 3.919 . . 678 101 101 THR HG1 H 0.989 . . 679 101 101 THR HG2 H 1.074 . . 680 101 101 THR CA C 61.796 . . 681 101 101 THR CB C 71.828 . . 682 101 101 THR CG2 C 20.040 . . 683 101 101 THR N N 125.222 . . 684 102 102 LYS H H 8.564 . . 685 102 102 LYS HA H 4.309 . . 686 102 102 LYS HB2 H 2.263 . . 687 102 102 LYS HB3 H 2.005 . . 688 102 102 LYS HG2 H 1.468 . . 689 102 102 LYS HG3 H 1.105 . . 690 102 102 LYS HD3 H 1.105 . . 691 102 102 LYS HE2 H 2.702 . . 692 102 102 LYS HE3 H 2.949 . . 693 102 102 LYS HZ H 6.215 . . 694 102 102 LYS CA C 56.888 . . 695 102 102 LYS CB C 30.876 . . 696 102 102 LYS N N 129.769 . . 697 103 103 VAL H H 8.830 . . 698 103 103 VAL HA H 3.530 . . 699 103 103 VAL HG1 H 0.218 . . 700 103 103 VAL HG2 H 0.101 . . 701 103 103 VAL CA C 61.227 . . 702 103 103 VAL CB C 31.315 . . 703 103 103 VAL CG2 C 23.274 . . 704 103 103 VAL N N 130.944 . . 705 104 104 TYR H H 8.451 . . 706 104 104 TYR HA H 4.665 . . 707 104 104 TYR HB2 H 2.613 . . 708 104 104 TYR HB3 H 1.964 . . 709 104 104 TYR HE1 H 6.646 . . 710 104 104 TYR HE2 H 6.646 . . 711 104 104 TYR CA C 55.146 . . 712 104 104 TYR CB C 38.971 . . 713 104 104 TYR N N 122.656 . . 714 105 105 VAL H H 8.752 . . 715 105 105 VAL HA H 4.735 . . 716 105 105 VAL HB H 1.997 . . 717 105 105 VAL CA C 63.727 . . 718 105 105 VAL CB C 32.287 . . 719 105 105 VAL N N 122.840 . . 720 106 106 ASP H H 9.040 . . 721 106 106 ASP HA H 4.625 . . 722 106 106 ASP CA C 56.388 . . 723 106 106 ASP CB C 42.988 . . 724 106 106 ASP N N 130.431 . . 725 107 107 LYS H H 8.017 . . 726 107 107 LYS HA H 4.408 . . 727 107 107 LYS HB3 H 1.836 . . 728 107 107 LYS HG2 H 0.677 . . 729 107 107 LYS HG3 H 1.213 . . 730 107 107 LYS CA C 55.769 . . 731 107 107 LYS CB C 35.581 . . 732 107 107 LYS N N 120.892 . . 733 108 108 GLU H H 8.652 . . 734 108 108 GLU HA H 3.841 . . 735 108 108 GLU CA C 58.278 . . 736 108 108 GLU CB C 30.535 . . 737 108 108 GLU N N 124.434 . . 738 109 109 ASN H H 8.909 . . 739 109 109 ASN HA H 4.363 . . 740 109 109 ASN HD21 H 7.748 . . 741 109 109 ASN HD22 H 6.707 . . 742 109 109 ASN CA C 51.160 . . 743 109 109 ASN CB C 38.173 . . 744 109 109 ASN N N 112.046 . . 745 109 109 ASN ND2 N 113.580 . . 746 110 110 ASP CA C 58.606 . . 747 110 110 ASP CB C 39.582 . . 748 111 111 LEU H H 7.794 . . 749 111 111 LEU HA H 4.594 . . 750 111 111 LEU HB3 H 1.908 . . 751 111 111 LEU HG H 1.519 . . 752 111 111 LEU HD1 H 0.609 . . 753 111 111 LEU HD2 H 0.326 . . 754 111 111 LEU CA C 56.700 . . 755 111 111 LEU CB C 41.730 . . 756 111 111 LEU N N 116.698 . . 757 112 112 PHE H H 7.116 . . 758 112 112 PHE HA H 4.850 . . 759 112 112 PHE CA C 55.910 . . 760 112 112 PHE CB C 38.652 . . 761 112 112 PHE N N 109.728 . . 762 113 113 LYS H H 6.407 . . 763 113 113 LYS HA H 3.969 . . 764 113 113 LYS HE2 H 2.608 . . 765 113 113 LYS HE3 H 2.490 . . 766 113 113 LYS HZ H 8.425 . . 767 113 113 LYS CA C 57.544 . . 768 113 113 LYS CB C 32.440 . . 769 113 113 LYS N N 121.466 . . 770 114 114 ASN H H 8.969 . . 771 114 114 ASN HA H 4.023 . . 772 114 114 ASN HD21 H 7.890 . . 773 114 114 ASN HD22 H 6.867 . . 774 114 114 ASN CA C 55.190 . . 775 114 114 ASN CB C 37.256 . . 776 114 114 ASN N N 116.216 . . 777 114 114 ASN ND2 N 115.615 . . 778 115 115 VAL H H 7.252 . . 779 115 115 VAL HA H 4.029 . . 780 115 115 VAL HB H 1.741 . . 781 115 115 VAL HG1 H 0.469 . . 782 115 115 VAL HG2 H 0.676 . . 783 115 115 VAL CA C 58.728 . . 784 115 115 VAL CB C 34.373 . . 785 115 115 VAL N N 119.871 . . 786 116 116 PRO HA H 4.295 . . 787 116 116 PRO HB2 H 2.564 . . 788 116 116 PRO HB3 H 2.307 . . 789 116 116 PRO HG3 H 1.809 . . 790 116 116 PRO HD3 H 3.239 . . 791 116 116 PRO CA C 62.791 . . 792 116 116 PRO CB C 32.206 . . 793 117 117 ARG H H 7.939 . . 794 117 117 ARG HA H 3.894 . . 795 117 117 ARG HG3 H 2.029 . . 796 117 117 ARG HD3 H 2.876 . . 797 117 117 ARG HE H 7.430 . . 798 117 117 ARG CA C 57.444 . . 799 117 117 ARG CB C 29.821 . . 800 117 117 ARG N N 113.334 . . 801 118 118 GLU H H 7.113 . . 802 118 118 GLU HA H 5.357 . . 803 118 118 GLU HB2 H 1.994 . . 804 118 118 GLU HB3 H 1.567 . . 805 118 118 GLU CA C 54.034 . . 806 118 118 GLU CB C 32.149 . . 807 118 118 GLU N N 114.872 . . 808 119 119 PHE H H 8.379 . . 809 119 119 PHE HA H 4.161 . . 810 119 119 PHE HD1 H 6.854 . . 811 119 119 PHE HD2 H 6.854 . . 812 119 119 PHE CA C 56.660 . . 813 119 119 PHE CB C 40.213 . . 814 119 119 PHE N N 118.593 . . 815 120 120 ASN H H 9.231 . . 816 120 120 ASN HA H 5.101 . . 817 120 120 ASN HB2 H 2.238 . . 818 120 120 ASN HB3 H 2.709 . . 819 120 120 ASN HD21 H 8.718 . . 820 120 120 ASN HD22 H 6.093 . . 821 120 120 ASN CA C 52.339 . . 822 120 120 ASN N N 119.116 . . 823 121 121 ALA H H 9.228 . . 824 121 121 ALA HA H 5.102 . . 825 121 121 ALA HB H 0.827 . . 826 121 121 ALA CA C 49.887 . . 827 121 121 ALA CB C 24.623 . . 828 121 121 ALA N N 123.760 . . 829 122 122 TRP H H 9.012 . . 830 122 122 TRP HA H 5.028 . . 831 122 122 TRP HB3 H 3.276 . . 832 122 122 TRP HD1 H 8.017 . . 833 122 122 TRP HE1 H 12.741 . . 834 122 122 TRP CA C 56.379 . . 835 122 122 TRP CB C 31.912 . . 836 122 122 TRP N N 124.860 . . 837 122 122 TRP NE1 N 121.652 . . 838 123 123 ALA H H 8.218 . . 839 123 123 ALA HA H 5.275 . . 840 123 123 ALA HB H 1.134 . . 841 123 123 ALA CA C 51.221 . . 842 123 123 ALA CB C 23.771 . . 843 123 123 ALA N N 128.418 . . 844 124 124 SER H H 9.359 . . 845 124 124 SER HA H 4.382 . . 846 124 124 SER HB3 H 3.618 . . 847 124 124 SER CA C 55.993 . . 848 124 124 SER CB C 64.370 . . 849 124 124 SER N N 117.966 . . 850 125 125 HIS H H 7.902 . . 851 125 125 HIS HA H 4.486 . . 852 125 125 HIS HB3 H 1.944 . . 853 125 125 HIS CA C 55.032 . . 854 125 125 HIS CB C 27.369 . . 855 125 125 HIS N N 123.737 . . 856 126 126 LYS H H 7.371 . . 857 126 126 LYS HA H 3.654 . . 858 126 126 LYS HB2 H 1.556 . . 859 126 126 LYS HB3 H 1.642 . . 860 126 126 LYS HG3 H 1.355 . . 861 126 126 LYS CA C 59.262 . . 862 126 126 LYS CB C 33.049 . . 863 126 126 LYS N N 120.125 . . 864 127 127 ASP H H 7.768 . . 865 127 127 ASP HA H 5.262 . . 866 127 127 ASP HB3 H 2.085 . . 867 127 127 ASP CA C 52.012 . . 868 127 127 ASP CB C 45.406 . . 869 127 127 ASP N N 114.347 . . 870 128 128 GLU H H 8.776 . . 871 128 128 GLU HA H 4.772 . . 872 128 128 GLU HB2 H 2.659 . . 873 128 128 GLU HB3 H 1.833 . . 874 128 128 GLU CA C 53.946 . . 875 128 128 GLU CB C 32.550 . . 876 128 128 GLU N N 111.288 . . 877 129 129 VAL H H 9.131 . . 878 129 129 VAL HA H 3.857 . . 879 129 129 VAL HG1 H 0.691 . . 880 129 129 VAL HG2 H 0.290 . . 881 129 129 VAL CA C 63.458 . . 882 129 129 VAL CB C 31.471 . . 883 129 129 VAL CG2 C 22.132 . . 884 129 129 VAL N N 121.107 . . 885 130 130 LYS H H 8.635 . . 886 130 130 LYS HA H 4.200 . . 887 130 130 LYS HB3 H 1.574 . . 888 130 130 LYS HG3 H 1.350 . . 889 130 130 LYS HZ H 10.506 . . 890 130 130 LYS CA C 55.483 . . 891 130 130 LYS CB C 33.994 . . 892 130 130 LYS N N 129.134 . . 893 130 130 LYS NZ N 128.701 . . 894 131 131 LYS H H 7.286 . . 895 131 131 LYS HA H 4.435 . . 896 131 131 LYS HB3 H 1.526 . . 897 131 131 LYS HG3 H 1.276 . . 898 131 131 LYS HE3 H 3.004 . . 899 131 131 LYS CA C 55.424 . . 900 131 131 LYS CB C 35.525 . . 901 131 131 LYS N N 118.414 . . 902 132 132 VAL H H 8.796 . . 903 132 132 VAL HA H 3.705 . . 904 132 132 VAL HB H 1.904 . . 905 132 132 VAL HG2 H 0.937 . . 906 132 132 VAL CA C 60.411 . . 907 132 132 VAL CB C 31.892 . . 908 132 132 VAL N N 125.705 . . 909 133 133 PRO HD2 H 3.150 . . 910 133 133 PRO HD3 H 2.907 . . 911 133 133 PRO CA C 61.785 . . 912 133 133 PRO CB C 31.527 . . 913 133 133 PRO CD C 49.782 . . 914 134 134 GLU H H 8.759 . . 915 134 134 GLU HA H 4.072 . . 916 134 134 GLU HB3 H 2.072 . . 917 134 134 GLU CA C 58.009 . . 918 134 134 GLU CB C 29.307 . . 919 134 134 GLU N N 122.601 . . 920 135 135 GLY H H 8.809 . . 921 135 135 GLY CA C 45.002 . . 922 135 135 GLY N N 111.308 . . 923 136 136 PHE H H 7.731 . . 924 136 136 PHE HA H 5.052 . . 925 136 136 PHE HB2 H 2.844 . . 926 136 136 PHE HB3 H 3.285 . . 927 136 136 PHE HD1 H 6.747 . . 928 136 136 PHE HD2 H 6.747 . . 929 136 136 PHE CA C 56.199 . . 930 136 136 PHE CB C 42.323 . . 931 136 136 PHE N N 118.697 . . 932 137 137 GLU H H 9.208 . . 933 137 137 GLU HA H 5.044 . . 934 137 137 GLU HB3 H 1.853 . . 935 137 137 GLU HG3 H 2.590 . . 936 137 137 GLU CA C 53.424 . . 937 137 137 GLU CB C 33.427 . . 938 137 137 GLU N N 116.232 . . 939 138 138 ILE H H 8.965 . . 940 138 138 ILE HA H 4.169 . . 941 138 138 ILE HB H 1.873 . . 942 138 138 ILE HG13 H 1.422 . . 943 138 138 ILE HG2 H 1.016 . . 944 138 138 ILE HD1 H 0.998 . . 945 138 138 ILE CA C 63.882 . . 946 138 138 ILE CB C 39.447 . . 947 138 138 ILE CD1 C 13.840 . . 948 138 138 ILE N N 123.765 . . 949 139 139 LEU H H 8.800 . . 950 139 139 LEU HA H 3.490 . . 951 139 139 LEU HB3 H 1.867 . . 952 139 139 LEU HD2 H 0.614 . . 953 139 139 LEU CA C 54.592 . . 954 139 139 LEU CB C 45.174 . . 955 139 139 LEU N N 122.878 . . 956 140 140 ALA H H 7.958 . . 957 140 140 ALA HA H 5.457 . . 958 140 140 ALA HB H 1.112 . . 959 140 140 ALA CA C 52.205 . . 960 140 140 ALA CB C 22.519 . . 961 140 140 ALA N N 119.322 . . 962 141 141 HIS H H 8.929 . . 963 141 141 HIS HA H 4.965 . . 964 141 141 HIS HB3 H 3.209 . . 965 141 141 HIS HD1 H 6.687 . . 966 141 141 HIS HD2 H 7.499 . . 967 141 141 HIS HE1 H 8.346 . . 968 141 141 HIS CA C 55.654 . . 969 141 141 HIS CB C 33.228 . . 970 141 141 HIS N N 116.705 . . 971 142 142 SER H H 9.548 . . 972 142 142 SER HA H 5.018 . . 973 142 142 SER CA C 57.000 . . 974 142 142 SER CB C 67.551 . . 975 142 142 SER N N 116.363 . . 976 143 143 ASP H H 9.942 . . 977 143 143 ASP HA H 4.528 . . 978 143 143 ASP HB3 H 2.723 . . 979 143 143 ASP CA C 57.242 . . 980 143 143 ASP CB C 40.436 . . 981 143 143 ASP N N 119.532 . . 982 144 144 ILE H H 7.061 . . 983 144 144 ILE HA H 4.371 . . 984 144 144 ILE HB H 1.705 . . 985 144 144 ILE HG13 H 1.675 . . 986 144 144 ILE HG2 H 0.800 . . 987 144 144 ILE HD1 H 0.517 . . 988 144 144 ILE CA C 59.849 . . 989 144 144 ILE CB C 39.728 . . 990 144 144 ILE CG2 C 16.836 . . 991 144 144 ILE N N 108.250 . . 992 145 145 CYS H H 7.481 . . 993 145 145 CYS HA H 4.435 . . 994 145 145 CYS HB3 H 2.578 . . 995 145 145 CYS CA C 57.767 . . 996 145 145 CYS CB C 29.934 . . 997 145 145 CYS N N 125.550 . . 998 146 146 GLN H H 9.230 . . 999 146 146 GLN HA H 4.346 . . 1000 146 146 GLN CA C 59.071 . . 1001 146 146 GLN CB C 29.610 . . 1002 146 146 GLN N N 129.309 . . 1003 147 147 VAL H H 8.364 . . 1004 147 147 VAL HA H 4.450 . . 1005 147 147 VAL HB H 2.324 . . 1006 147 147 VAL HG1 H 0.881 . . 1007 147 147 VAL HG2 H 0.969 . . 1008 147 147 VAL CA C 60.398 . . 1009 147 147 VAL CB C 32.161 . . 1010 147 147 VAL N N 117.568 . . 1011 148 148 GLU H H 8.630 . . 1012 148 148 GLU HA H 4.063 . . 1013 148 148 GLU CA C 57.058 . . 1014 148 148 GLU CB C 29.273 . . 1015 148 148 GLU N N 123.758 . . 1016 149 149 ALA H H 7.857 . . 1017 149 149 ALA HA H 5.430 . . 1018 149 149 ALA CA C 51.716 . . 1019 149 149 ALA CB C 24.192 . . 1020 149 149 ALA N N 116.047 . . 1021 150 150 MET H H 10.087 . . 1022 150 150 MET HA H 5.804 . . 1023 150 150 MET CA C 55.513 . . 1024 150 150 MET CB C 36.147 . . 1025 150 150 MET N N 120.542 . . 1026 151 151 LYS H H 8.967 . . 1027 151 151 LYS HA H 5.469 . . 1028 151 151 LYS HB2 H 2.079 . . 1029 151 151 LYS HB3 H 1.867 . . 1030 151 151 LYS HG3 H 1.639 . . 1031 151 151 LYS HE3 H 3.023 . . 1032 151 151 LYS CA C 55.007 . . 1033 151 151 LYS CB C 36.167 . . 1034 151 151 LYS N N 116.436 . . 1035 152 152 HIS H H 8.239 . . 1036 152 152 HIS HA H 4.125 . . 1037 152 152 HIS HB3 H 2.817 . . 1038 152 152 HIS HD1 H 6.748 . . 1039 152 152 HIS HE1 H 9.059 . . 1040 152 152 HIS HE2 H 9.482 . . 1041 152 152 HIS CA C 57.545 . . 1042 152 152 HIS CB C 31.349 . . 1043 152 152 HIS N N 127.744 . . 1044 153 153 LYS H H 8.533 . . 1045 153 153 LYS HA H 3.774 . . 1046 153 153 LYS HB2 H 1.551 . . 1047 153 153 LYS HB3 H 1.759 . . 1048 153 153 LYS HG3 H 1.144 . . 1049 153 153 LYS HE3 H 3.170 . . 1050 153 153 LYS HZ H 8.096 . . 1051 153 153 LYS CA C 60.618 . . 1052 153 153 LYS CB C 33.424 . . 1053 153 153 LYS N N 125.803 . . 1054 154 154 THR H H 10.153 . . 1055 154 154 THR HA H 4.558 . . 1056 154 154 THR HG2 H 1.116 . . 1057 154 154 THR CA C 61.866 . . 1058 154 154 THR CB C 70.283 . . 1059 154 154 THR N N 109.761 . . 1060 155 155 LYS H H 8.326 . . 1061 155 155 LYS HA H 4.559 . . 1062 155 155 LYS HB2 H 1.786 . . 1063 155 155 LYS HE3 H 2.816 . . 1064 155 155 LYS HZ H 7.722 . . 1065 155 155 LYS CA C 54.428 . . 1066 155 155 LYS CB C 34.797 . . 1067 155 155 LYS N N 125.201 . . 1068 156 156 PRO HA H 3.504 . . 1069 156 156 PRO HB2 H 1.597 . . 1070 156 156 PRO HG3 H 1.887 . . 1071 156 156 PRO HD2 H 2.809 . . 1072 156 156 PRO HD3 H 3.121 . . 1073 156 156 PRO CA C 62.177 . . 1074 157 157 ILE H H 7.701 . . 1075 157 157 ILE HA H 4.526 . . 1076 157 157 ILE HB H 2.323 . . 1077 157 157 ILE HG13 H 1.614 . . 1078 157 157 ILE HG2 H 1.224 . . 1079 157 157 ILE HD1 H 0.904 . . 1080 157 157 ILE CA C 60.672 . . 1081 157 157 ILE CB C 40.712 . . 1082 157 157 ILE N N 122.343 . . 1083 158 158 TYR H H 9.224 . . 1084 158 158 TYR HA H 5.269 . . 1085 158 158 TYR HD1 H 7.866 . . 1086 158 158 TYR HD2 H 7.866 . . 1087 158 158 TYR HE1 H 6.837 . . 1088 158 158 TYR HE2 H 6.837 . . 1089 158 158 TYR CA C 56.213 . . 1090 158 158 TYR CB C 43.438 . . 1091 158 158 TYR N N 124.361 . . 1092 159 159 GLY H H 9.159 . . 1093 159 159 GLY CA C 45.152 . . 1094 159 159 GLY N N 108.482 . . 1095 160 160 VAL H H 8.478 . . 1096 160 160 VAL HA H 4.536 . . 1097 160 160 VAL HB H 2.035 . . 1098 160 160 VAL CA C 57.797 . . 1099 160 160 VAL CB C 33.964 . . 1100 160 160 VAL CG1 C 24.680 . . 1101 160 160 VAL CG2 C 23.730 . . 1102 160 160 VAL N N 112.588 . . 1103 161 161 GLN H H 8.649 . . 1104 161 161 GLN CA C 56.764 . . 1105 161 161 GLN CB C 28.407 . . 1106 161 161 GLN N N 123.021 . . 1107 162 162 PHE H H 6.246 . . 1108 162 162 PHE HA H 4.866 . . 1109 162 162 PHE HB3 H 3.155 . . 1110 162 162 PHE CA C 53.136 . . 1111 162 162 PHE CB C 41.483 . . 1112 162 162 PHE N N 111.675 . . 1113 163 163 HIS H H 8.572 . . 1114 163 163 HIS HA H 4.820 . . 1115 163 163 HIS CA C 54.496 . . 1116 163 163 HIS CB C 31.280 . . 1117 163 163 HIS N N 112.954 . . 1118 164 164 PRO CA C 61.063 . . 1119 164 164 PRO CB C 32.916 . . 1120 165 165 GLU H H 9.253 . . 1121 165 165 GLU CA C 57.196 . . 1122 165 165 GLU CB C 28.652 . . 1123 165 165 GLU N N 122.618 . . 1124 166 166 VAL H H 6.915 . . 1125 166 166 VAL HA H 3.864 . . 1126 166 166 VAL HB H 2.001 . . 1127 166 166 VAL CA C 60.777 . . 1128 166 166 VAL CB C 32.462 . . 1129 166 166 VAL N N 119.017 . . 1130 167 167 ALA CA C 54.283 . . 1131 167 167 ALA CB C 18.002 . . 1132 168 168 HIS H H 6.187 . . 1133 168 168 HIS HA H 4.550 . . 1134 168 168 HIS CA C 56.187 . . 1135 168 168 HIS CB C 31.435 . . 1136 168 168 HIS N N 110.752 . . 1137 169 169 THR H H 8.019 . . 1138 169 169 THR HA H 4.877 . . 1139 169 169 THR HB H 3.488 . . 1140 169 169 THR CA C 62.189 . . 1141 169 169 THR CB C 69.052 . . 1142 169 169 THR N N 115.611 . . 1143 171 171 TYR CA C 60.188 . . 1144 172 172 GLY H H 7.827 . . 1145 172 172 GLY CA C 48.919 . . 1146 172 172 GLY N N 107.640 . . 1147 173 173 ASN H H 8.218 . . 1148 173 173 ASN HA H 4.235 . . 1149 173 173 ASN HB2 H 2.790 . . 1150 173 173 ASN HB3 H 2.704 . . 1151 173 173 ASN HD21 H 7.415 . . 1152 173 173 ASN HD22 H 6.547 . . 1153 173 173 ASN CA C 55.800 . . 1154 173 173 ASN CB C 37.286 . . 1155 173 173 ASN N N 110.197 . . 1156 173 173 ASN ND2 N 110.403 . . 1157 174 174 GLU H H 7.454 . . 1158 174 174 GLU HA H 3.895 . . 1159 174 174 GLU HB3 H 2.258 . . 1160 174 174 GLU CA C 58.818 . . 1161 174 174 GLU CB C 29.661 . . 1162 174 174 GLU N N 122.421 . . 1163 175 175 ILE H H 8.091 . . 1164 175 175 ILE HA H 3.876 . . 1165 175 175 ILE HB H 2.052 . . 1166 175 175 ILE HD1 H 0.705 . . 1167 175 175 ILE CA C 65.212 . . 1168 175 175 ILE CB C 38.586 . . 1169 175 175 ILE CD1 C 16.007 . . 1170 175 175 ILE N N 119.883 . . 1171 176 176 LEU H H 7.772 . . 1172 176 176 LEU HA H 3.896 . . 1173 176 176 LEU HB3 H 1.598 . . 1174 176 176 LEU HG H 0.683 . . 1175 176 176 LEU CA C 58.303 . . 1176 176 176 LEU CB C 41.658 . . 1177 176 176 LEU N N 117.399 . . 1178 177 177 LYS H H 8.670 . . 1179 177 177 LYS HA H 3.984 . . 1180 177 177 LYS HB2 H 2.219 . . 1181 177 177 LYS HB3 H 1.748 . . 1182 177 177 LYS HE3 H 2.936 . . 1183 177 177 LYS CA C 60.481 . . 1184 177 177 LYS CB C 32.206 . . 1185 177 177 LYS N N 123.224 . . 1186 178 178 ASN H H 8.650 . . 1187 178 178 ASN HA H 4.373 . . 1188 178 178 ASN CA C 55.766 . . 1189 178 178 ASN CB C 38.687 . . 1190 178 178 ASN N N 118.576 . . 1191 178 178 ASN ND2 N 116.262 . . 1192 179 179 PHE H H 7.953 . . 1193 179 179 PHE HA H 3.905 . . 1194 179 179 PHE HB3 H 3.118 . . 1195 179 179 PHE HD1 H 6.764 . . 1196 179 179 PHE HD2 H 6.764 . . 1197 179 179 PHE HE1 H 7.099 . . 1198 179 179 PHE HE2 H 7.099 . . 1199 179 179 PHE CA C 61.405 . . 1200 179 179 PHE CB C 38.471 . . 1201 179 179 PHE N N 120.982 . . 1202 180 180 CYS H H 8.458 . . 1203 180 180 CYS HA H 3.842 . . 1204 180 180 CYS HB2 H 3.793 . . 1205 180 180 CYS HB3 H 2.721 . . 1206 180 180 CYS HG H 2.034 . . 1207 180 180 CYS CA C 65.974 . . 1208 180 180 CYS CB C 25.996 . . 1209 180 180 CYS N N 119.204 . . 1210 181 181 LYS H H 8.858 . . 1211 181 181 LYS HA H 4.612 . . 1212 181 181 LYS HB3 H 1.850 . . 1213 181 181 LYS HG3 H 1.061 . . 1214 181 181 LYS HE3 H 3.185 . . 1215 181 181 LYS HZ H 7.117 . . 1216 181 181 LYS CA C 60.305 . . 1217 181 181 LYS CB C 32.311 . . 1218 181 181 LYS N N 123.035 . . 1219 182 182 VAL H H 7.400 . . 1220 182 182 VAL HA H 3.673 . . 1221 182 182 VAL HB H 2.343 . . 1222 182 182 VAL HG2 H 1.033 . . 1223 182 182 VAL CA C 66.155 . . 1224 182 182 VAL CB C 30.992 . . 1225 182 182 VAL N N 123.205 . . 1226 183 183 CYS H H 7.026 . . 1227 183 183 CYS HA H 4.073 . . 1228 183 183 CYS HB2 H 2.721 . . 1229 183 183 CYS HB3 H 3.149 . . 1230 183 183 CYS HG H 1.459 . . 1231 183 183 CYS CA C 60.785 . . 1232 183 183 CYS CB C 26.968 . . 1233 183 183 CYS N N 115.357 . . 1234 184 184 GLY H H 7.518 . . 1235 184 184 GLY HA2 H 3.531 . . 1236 184 184 GLY HA3 H 4.181 . . 1237 184 184 GLY CA C 44.716 . . 1238 184 184 GLY N N 104.720 . . 1239 185 185 TYR H H 7.623 . . 1240 185 185 TYR HA H 3.954 . . 1241 185 185 TYR HB2 H 2.186 . . 1242 185 185 TYR HB3 H 2.646 . . 1243 185 185 TYR HD1 H 7.125 . . 1244 185 185 TYR HD2 H 7.125 . . 1245 185 185 TYR HE1 H 6.621 . . 1246 185 185 TYR HE2 H 6.621 . . 1247 185 185 TYR CA C 60.059 . . 1248 185 185 TYR CB C 39.039 . . 1249 185 185 TYR N N 120.360 . . 1250 186 186 LYS H H 8.155 . . 1251 186 186 LYS HA H 3.671 . . 1252 186 186 LYS HB3 H 1.924 . . 1253 186 186 LYS HG3 H 1.285 . . 1254 186 186 LYS HZ H 7.138 . . 1255 186 186 LYS CA C 54.421 . . 1256 186 186 LYS CB C 34.838 . . 1257 186 186 LYS N N 120.912 . . 1258 187 187 PHE H H 8.688 . . 1259 187 187 PHE HA H 4.691 . . 1260 187 187 PHE HD1 H 7.119 . . 1261 187 187 PHE HD2 H 7.119 . . 1262 187 187 PHE CA C 57.745 . . 1263 187 187 PHE CB C 40.650 . . 1264 187 187 PHE N N 121.846 . . 1265 188 188 GLU H H 8.108 . . 1266 188 188 GLU HA H 4.123 . . 1267 188 188 GLU HG2 H 2.142 . . 1268 188 188 GLU HG3 H 2.089 . . 1269 188 188 GLU CA C 57.947 . . 1270 188 188 GLU CB C 30.882 . . 1271 188 188 GLU N N 126.584 . . stop_ save_