data_16874 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The solution structure of rat Lipocalin-type Prostaglandin D Synthase ; _BMRB_accession_number 16874 _BMRB_flat_file_name bmr16874.str _Entry_type original _Submission_date 2010-04-16 _Accession_date 2010-04-16 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Lipocalin-Type Prostaglandin D Synthase is considered to be a dual functional protein that binds lipophilic ligands with high affinities, and also can catalyze a common precursor of various prostanoids, PGH2, to produce PGD2 in the presence of sulfhydryl compounds. L-PGDS belongs to lipocalin superfamily, a group of small secretory proteins that bind and transport a large variety of lipophilic molecules.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Jiafu . . 2 Lin Donghai . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 745 "13C chemical shifts" 599 "15N chemical shifts" 153 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-17 original author . stop_ _Original_release_date 2010-05-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The solution structure and dynamics of rat Lipocalin-Type Prostaglandin D Synthase' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18590794 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liu Jiafu . . 2 Guo Chenyun . . 3 Yao Yihe . . 4 Lin Donghai . . stop_ _Journal_abbreviation Biochimie _Journal_volume 90 _Journal_issue 11-12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1637 _Page_last 1646 _Year 2008 _Details . loop_ _Keyword dynamics 'rat L-PGDS' 'solution structure' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'rat Lipocalin-Type Prostaglandin D Synthase' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'rat Lipocalin-Type Prostaglandin D Synthase' $rL-PGDS 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_rL-PGDS _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common rL-PGDS _Molecular_mass . _Mol_thiol_state 'free and disulfide bound' _Details monomeric_polymer ############################## # Polymer residue sequence # ############################## _Residue_count 165 _Mol_residue_sequence ; QGHDTVQPNFQQDKFLGRWY SAGLASNSSWFREKKELLFM CQTVVAPSTEGGLNLTSTFL RKNQCETKVMVLQPAGVPGQ YTYNSPHWGSFHSLSVVETD YDEYAFLFSKGTKGPGQDFR MATLYSRAQLLKEELKEKFI TFSKDQGLTEEDIVFLPQPD KCIQE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLN 2 2 GLY 3 3 HIS 4 4 ASP 5 5 THR 6 6 VAL 7 7 GLN 8 8 PRO 9 9 ASN 10 10 PHE 11 11 GLN 12 12 GLN 13 13 ASP 14 14 LYS 15 15 PHE 16 16 LEU 17 17 GLY 18 18 ARG 19 19 TRP 20 20 TYR 21 21 SER 22 22 ALA 23 23 GLY 24 24 LEU 25 25 ALA 26 26 SER 27 27 ASN 28 28 SER 29 29 SER 30 30 TRP 31 31 PHE 32 32 ARG 33 33 GLU 34 34 LYS 35 35 LYS 36 36 GLU 37 37 LEU 38 38 LEU 39 39 PHE 40 40 MET 41 41 CYS 42 42 GLN 43 43 THR 44 44 VAL 45 45 VAL 46 46 ALA 47 47 PRO 48 48 SER 49 49 THR 50 50 GLU 51 51 GLY 52 52 GLY 53 53 LEU 54 54 ASN 55 55 LEU 56 56 THR 57 57 SER 58 58 THR 59 59 PHE 60 60 LEU 61 61 ARG 62 62 LYS 63 63 ASN 64 64 GLN 65 65 CYS 66 66 GLU 67 67 THR 68 68 LYS 69 69 VAL 70 70 MET 71 71 VAL 72 72 LEU 73 73 GLN 74 74 PRO 75 75 ALA 76 76 GLY 77 77 VAL 78 78 PRO 79 79 GLY 80 80 GLN 81 81 TYR 82 82 THR 83 83 TYR 84 84 ASN 85 85 SER 86 86 PRO 87 87 HIS 88 88 TRP 89 89 GLY 90 90 SER 91 91 PHE 92 92 HIS 93 93 SER 94 94 LEU 95 95 SER 96 96 VAL 97 97 VAL 98 98 GLU 99 99 THR 100 100 ASP 101 101 TYR 102 102 ASP 103 103 GLU 104 104 TYR 105 105 ALA 106 106 PHE 107 107 LEU 108 108 PHE 109 109 SER 110 110 LYS 111 111 GLY 112 112 THR 113 113 LYS 114 114 GLY 115 115 PRO 116 116 GLY 117 117 GLN 118 118 ASP 119 119 PHE 120 120 ARG 121 121 MET 122 122 ALA 123 123 THR 124 124 LEU 125 125 TYR 126 126 SER 127 127 ARG 128 128 ALA 129 129 GLN 130 130 LEU 131 131 LEU 132 132 LYS 133 133 GLU 134 134 GLU 135 135 LEU 136 136 LYS 137 137 GLU 138 138 LYS 139 139 PHE 140 140 ILE 141 141 THR 142 142 PHE 143 143 SER 144 144 LYS 145 145 ASP 146 146 GLN 147 147 GLY 148 148 LEU 149 149 THR 150 150 GLU 151 151 GLU 152 152 ASP 153 153 ILE 154 154 VAL 155 155 PHE 156 156 LEU 157 157 PRO 158 158 GLN 159 159 PRO 160 160 ASP 161 161 LYS 162 162 CYS 163 163 ILE 164 164 GLN 165 165 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-03-26 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 GB AAA41839 "prostaglandin D synthetase [Rattus norvegicus]" 100.00 189 100.00 100.00 1.55e-118 GB AAA41840 "prostaglandin H2 D-isomerase [Rattus norvegicus]" 100.00 189 100.00 100.00 1.55e-118 GB EDL93575 "prostaglandin D2 synthase, isoform CRA_a [Rattus norvegicus]" 100.00 189 100.00 100.00 1.55e-118 GB EDL93576 "prostaglandin D2 synthase, isoform CRA_a [Rattus norvegicus]" 100.00 189 100.00 100.00 1.55e-118 GB EDL93577 "prostaglandin D2 synthase, isoform CRA_b [Rattus norvegicus]" 84.85 148 97.86 99.29 3.30e-96 REF NP_037147 "prostaglandin-H2 D-isomerase precursor [Rattus norvegicus]" 100.00 189 100.00 100.00 1.55e-118 SP P22057 "RecName: Full=Prostaglandin-H2 D-isomerase; AltName: Full=Glutathione-independent PGD synthase; AltName: Full=Lipocalin-type pr" 100.00 189 100.00 100.00 1.55e-118 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $rL-PGDS 'Norway rat' 10116 Eukaryota Metazoa Rattus norvegicus 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 $rL-PGDS 'recombinant technology' . Escherichia coli . 'pET 22b' 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 $rL-PGDS 1.0 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'sodium phosphate' 15 mM 'natural abundance' NaCl 150 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _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' 0.200 . M pH 6.5 . 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 TSP C 13 'methyl protons' ppm 0 internal indirect . . . 0.251449530 TSP H 1 'methyl protons' ppm 0 internal direct . . . 1.0 TSP N 15 'methyl protons' ppm 0 internal 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_ _Software_label $SPARKY stop_ loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' 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 'rat Lipocalin-Type Prostaglandin D Synthase' _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 GLN H H 8.611 . 1 2 1 1 GLN HA H 4.345 . 1 3 1 1 GLN HB2 H 2.110 . 2 4 1 1 GLN HB3 H 2.110 . 2 5 1 1 GLN HG2 H 2.364 . 2 6 1 1 GLN HG3 H 2.364 . 2 7 1 1 GLN C C 176.296 . 1 8 1 1 GLN CA C 56.106 . 1 9 1 1 GLN CB C 29.339 . 1 10 1 1 GLN CG C 33.845 . 1 11 1 1 GLN N N 122.110 . 1 12 2 2 GLY H H 8.378 . 1 13 2 2 GLY HA2 H 4.397 . 2 14 2 2 GLY HA3 H 3.883 . 2 15 2 2 GLY C C 173.756 . 1 16 2 2 GLY CA C 45.266 . 1 17 2 2 GLY N N 109.768 . 1 18 3 3 HIS H H 8.199 . 1 19 3 3 HIS HA H 4.677 . 1 20 3 3 HIS HB2 H 3.154 . 2 21 3 3 HIS HB3 H 3.154 . 2 22 3 3 HIS C C 174.650 . 1 23 3 3 HIS CA C 55.522 . 1 24 3 3 HIS CB C 30.221 . 1 25 3 3 HIS N N 118.515 . 1 26 4 4 ASP H H 8.493 . 1 27 4 4 ASP HA H 4.662 . 1 28 4 4 ASP HB2 H 2.692 . 2 29 4 4 ASP HB3 H 2.530 . 2 30 4 4 ASP C C 176.119 . 1 31 4 4 ASP CA C 54.505 . 1 32 4 4 ASP CB C 41.322 . 1 33 4 4 ASP N N 121.895 . 1 34 5 5 THR H H 8.296 . 1 35 5 5 THR HA H 4.293 . 1 36 5 5 THR HB H 4.151 . 1 37 5 5 THR HG2 H 1.210 . 1 38 5 5 THR C C 173.023 . 1 39 5 5 THR CA C 62.327 . 1 40 5 5 THR CB C 69.756 . 1 41 5 5 THR CG2 C 21.987 . 1 42 5 5 THR N N 114.625 . 1 43 6 6 VAL H H 7.668 . 1 44 6 6 VAL HA H 4.359 . 1 45 6 6 VAL HB H 1.846 . 1 46 6 6 VAL HG1 H 0.866 . 2 47 6 6 VAL HG2 H 0.730 . 2 48 6 6 VAL C C 173.035 . 1 49 6 6 VAL CA C 59.979 . 1 50 6 6 VAL CB C 35.224 . 1 51 6 6 VAL CG1 C 21.367 . 2 52 6 6 VAL CG2 C 20.552 . 2 53 6 6 VAL N N 119.429 . 1 54 7 7 GLN H H 8.586 . 1 55 7 7 GLN CA C 53.396 . 1 56 7 7 GLN CB C 29.395 . 1 57 7 7 GLN N N 129.347 . 1 58 8 8 PRO HA H 4.377 . 1 59 8 8 PRO HB2 H 2.370 . 2 60 8 8 PRO HB3 H 2.370 . 2 61 8 8 PRO HD2 H 4.160 . 2 62 8 8 PRO HD3 H 3.726 . 2 63 8 8 PRO HG2 H 2.097 . 2 64 8 8 PRO HG3 H 2.097 . 2 65 8 8 PRO C C 177.495 . 1 66 8 8 PRO CA C 63.265 . 1 67 8 8 PRO CB C 32.275 . 1 68 8 8 PRO CD C 51.824 . 1 69 8 8 PRO CG C 27.680 . 1 70 9 9 ASN H H 9.151 . 1 71 9 9 ASN HA H 4.434 . 1 72 9 9 ASN HB2 H 3.033 . 2 73 9 9 ASN HB3 H 2.749 . 2 74 9 9 ASN C C 175.341 . 1 75 9 9 ASN CA C 53.721 . 1 76 9 9 ASN CB C 37.547 . 1 77 9 9 ASN N N 119.106 . 1 78 10 10 PHE H H 7.662 . 1 79 10 10 PHE HA H 4.115 . 1 80 10 10 PHE HB2 H 3.223 . 2 81 10 10 PHE HB3 H 2.604 . 2 82 10 10 PHE C C 175.491 . 1 83 10 10 PHE CA C 59.473 . 1 84 10 10 PHE CB C 39.517 . 1 85 10 10 PHE N N 117.374 . 1 86 11 11 GLN H H 7.735 . 1 87 11 11 GLN HA H 4.268 . 1 88 11 11 GLN HB2 H 1.804 . 2 89 11 11 GLN HB3 H 1.340 . 2 90 11 11 GLN HG2 H 2.315 . 2 91 11 11 GLN HG3 H 2.315 . 2 92 11 11 GLN C C 174.184 . 1 93 11 11 GLN CA C 52.860 . 1 94 11 11 GLN CB C 29.330 . 1 95 11 11 GLN CG C 32.787 . 1 96 11 11 GLN N N 128.906 . 1 97 12 12 GLN H H 8.744 . 1 98 12 12 GLN HA H 3.494 . 1 99 12 12 GLN HB2 H 2.276 . 2 100 12 12 GLN HB3 H 2.159 . 2 101 12 12 GLN HG2 H 2.535 . 2 102 12 12 GLN HG3 H 2.535 . 2 103 12 12 GLN C C 177.168 . 1 104 12 12 GLN CA C 60.403 . 1 105 12 12 GLN CB C 29.858 . 1 106 12 12 GLN CG C 36.234 . 1 107 12 12 GLN N N 125.128 . 1 108 13 13 ASP H H 8.633 . 1 109 13 13 ASP HA H 4.240 . 1 110 13 13 ASP HB2 H 2.612 . 2 111 13 13 ASP HB3 H 2.612 . 2 112 13 13 ASP C C 178.378 . 1 113 13 13 ASP CA C 56.654 . 1 114 13 13 ASP CB C 39.584 . 1 115 13 13 ASP N N 114.132 . 1 116 14 14 LYS H H 6.922 . 1 117 14 14 LYS HA H 4.090 . 1 118 14 14 LYS HB2 H 1.322 . 2 119 14 14 LYS HB3 H 0.812 . 2 120 14 14 LYS HD2 H 1.135 . 2 121 14 14 LYS HD3 H 1.135 . 2 122 14 14 LYS HE2 H 2.719 . 2 123 14 14 LYS HE3 H 2.679 . 2 124 14 14 LYS HG2 H 1.119 . 2 125 14 14 LYS HG3 H 1.119 . 2 126 14 14 LYS C C 176.404 . 1 127 14 14 LYS CA C 56.925 . 1 128 14 14 LYS CB C 32.110 . 1 129 14 14 LYS CD C 28.613 . 1 130 14 14 LYS CE C 41.416 . 1 131 14 14 LYS CG C 25.269 . 1 132 14 14 LYS N N 116.609 . 1 133 15 15 PHE H H 7.754 . 1 134 15 15 PHE HA H 4.789 . 1 135 15 15 PHE HB2 H 3.426 . 2 136 15 15 PHE HB3 H 3.285 . 2 137 15 15 PHE C C 173.057 . 1 138 15 15 PHE CA C 58.140 . 1 139 15 15 PHE CB C 42.997 . 1 140 15 15 PHE N N 120.319 . 1 141 16 16 LEU H H 6.752 . 1 142 16 16 LEU HA H 3.970 . 1 143 16 16 LEU HB2 H 1.913 . 2 144 16 16 LEU HB3 H 1.863 . 2 145 16 16 LEU HD1 H 1.599 . 2 146 16 16 LEU HD2 H 0.707 . 2 147 16 16 LEU HG H 1.080 . 1 148 16 16 LEU C C 177.348 . 1 149 16 16 LEU CA C 54.709 . 1 150 16 16 LEU CB C 42.555 . 1 151 16 16 LEU CD1 C 22.534 . 2 152 16 16 LEU CD2 C 22.534 . 2 153 16 16 LEU CG C 25.499 . 1 154 16 16 LEU N N 111.848 . 1 155 17 17 GLY H H 8.991 . 1 156 17 17 GLY HA2 H 4.352 . 2 157 17 17 GLY HA3 H 3.719 . 2 158 17 17 GLY C C 172.826 . 1 159 17 17 GLY CA C 43.990 . 1 160 17 17 GLY N N 108.159 . 1 161 18 18 ARG H H 8.721 . 1 162 18 18 ARG HA H 4.595 . 1 163 18 18 ARG HB2 H 1.577 . 2 164 18 18 ARG HB3 H 1.577 . 2 165 18 18 ARG HD2 H 2.973 . 2 166 18 18 ARG HD3 H 2.973 . 2 167 18 18 ARG HG2 H 0.882 . 2 168 18 18 ARG HG3 H 0.882 . 2 169 18 18 ARG C C 175.689 . 1 170 18 18 ARG CA C 56.846 . 1 171 18 18 ARG CB C 30.949 . 1 172 18 18 ARG CD C 43.222 . 1 173 18 18 ARG CG C 27.023 . 1 174 18 18 ARG N N 122.027 . 1 175 19 19 TRP H H 9.135 . 1 176 19 19 TRP HA H 4.537 . 1 177 19 19 TRP C C 173.620 . 1 178 19 19 TRP CA C 55.519 . 1 179 19 19 TRP CB C 34.201 . 1 180 19 19 TRP N N 129.400 . 1 181 20 20 TYR H H 9.566 . 1 182 20 20 TYR HA H 5.280 . 1 183 20 20 TYR HB2 H 2.939 . 2 184 20 20 TYR HB3 H 2.939 . 2 185 20 20 TYR C C 176.844 . 1 186 20 20 TYR CA C 57.096 . 1 187 20 20 TYR CB C 39.582 . 1 188 20 20 TYR N N 119.303 . 1 189 21 21 SER H H 8.578 . 1 190 21 21 SER HA H 5.152 . 1 191 21 21 SER HB2 H 4.048 . 2 192 21 21 SER HB3 H 4.048 . 2 193 21 21 SER C C 173.158 . 1 194 21 21 SER CA C 57.495 . 1 195 21 21 SER CB C 62.988 . 1 196 21 21 SER N N 118.592 . 1 197 22 22 ALA H H 8.902 . 1 198 22 22 ALA HA H 4.875 . 1 199 22 22 ALA HB H 1.663 . 1 200 22 22 ALA C C 177.860 . 1 201 22 22 ALA CA C 51.896 . 1 202 22 22 ALA CB C 22.715 . 1 203 22 22 ALA N N 126.447 . 1 204 23 23 GLY H H 7.883 . 1 205 23 23 GLY HA2 H 4.983 . 2 206 23 23 GLY HA3 H 3.242 . 2 207 23 23 GLY C C 169.934 . 1 208 23 23 GLY CA C 45.483 . 1 209 23 23 GLY N N 107.918 . 1 210 24 24 LEU H H 9.106 . 1 211 24 24 LEU HA H 5.489 . 1 212 24 24 LEU HB2 H 1.692 . 2 213 24 24 LEU HB3 H 1.692 . 2 214 24 24 LEU HD1 H 1.614 . 2 215 24 24 LEU HD2 H 1.018 . 2 216 24 24 LEU HG H 1.105 . 1 217 24 24 LEU C C 174.489 . 1 218 24 24 LEU CA C 54.220 . 1 219 24 24 LEU CB C 49.406 . 1 220 24 24 LEU CD1 C 25.334 . 2 221 24 24 LEU CD2 C 25.334 . 2 222 24 24 LEU CG C 27.046 . 1 223 24 24 LEU N N 123.298 . 1 224 25 25 ALA H H 8.936 . 1 225 25 25 ALA HA H 5.494 . 1 226 25 25 ALA HB H 1.127 . 1 227 25 25 ALA C C 175.963 . 1 228 25 25 ALA CA C 50.816 . 1 229 25 25 ALA CB C 24.342 . 1 230 25 25 ALA N N 122.168 . 1 231 26 26 SER H H 7.592 . 1 232 26 26 SER HA H 5.211 . 1 233 26 26 SER HB2 H 3.926 . 2 234 26 26 SER HB3 H 3.849 . 2 235 26 26 SER C C 171.333 . 1 236 26 26 SER CA C 56.944 . 1 237 26 26 SER CB C 65.207 . 1 238 26 26 SER N N 114.574 . 1 239 27 27 ASN H H 8.128 . 1 240 27 27 ASN HA H 4.896 . 1 241 27 27 ASN C C 175.644 . 1 242 27 27 ASN CA C 52.118 . 1 243 27 27 ASN CB C 37.911 . 1 244 27 27 ASN N N 121.228 . 1 245 28 28 SER H H 8.257 . 1 246 28 28 SER C C 177.227 . 1 247 28 28 SER CA C 55.080 . 1 248 28 28 SER CB C 60.211 . 1 249 28 28 SER N N 115.434 . 1 250 29 29 SER H H 8.296 . 1 251 29 29 SER HA H 5.634 . 1 252 29 29 SER HB2 H 3.826 . 2 253 29 29 SER HB3 H 3.826 . 2 254 29 29 SER C C 176.363 . 1 255 29 29 SER CA C 59.274 . 1 256 29 29 SER CB C 63.816 . 1 257 29 29 SER N N 119.662 . 1 258 30 30 TRP H H 7.913 . 1 259 30 30 TRP HA H 4.130 . 1 260 30 30 TRP C C 176.690 . 1 261 30 30 TRP CA C 57.882 . 1 262 30 30 TRP CB C 29.275 . 1 263 30 30 TRP N N 126.645 . 1 264 31 31 PHE H H 8.007 . 1 265 31 31 PHE HA H 4.425 . 1 266 31 31 PHE HD1 H 6.933 . 3 267 31 31 PHE C C 176.659 . 1 268 31 31 PHE CA C 54.459 . 1 269 31 31 PHE CB C 42.265 . 1 270 31 31 PHE N N 118.798 . 1 271 32 32 ARG H H 6.932 . 1 272 32 32 ARG HA H 4.410 . 1 273 32 32 ARG C C 176.078 . 1 274 32 32 ARG CA C 53.763 . 1 275 32 32 ARG CB C 33.288 . 1 276 32 32 ARG N N 119.000 . 1 277 33 33 GLU H H 8.424 . 1 278 33 33 GLU HA H 4.187 . 1 279 33 33 GLU HB2 H 1.880 . 2 280 33 33 GLU HB3 H 1.880 . 2 281 33 33 GLU HG2 H 2.198 . 2 282 33 33 GLU HG3 H 2.198 . 2 283 33 33 GLU C C 176.047 . 1 284 33 33 GLU CA C 56.553 . 1 285 33 33 GLU CB C 30.392 . 1 286 33 33 GLU CG C 36.265 . 1 287 33 33 GLU N N 123.845 . 1 288 34 34 LYS H H 8.306 . 1 289 34 34 LYS HA H 4.613 . 1 290 34 34 LYS HB2 H 1.763 . 2 291 34 34 LYS C C 173.915 . 1 292 34 34 LYS CA C 55.913 . 1 293 34 34 LYS CB C 30.285 . 1 294 34 34 LYS CE C 39.621 . 1 295 34 34 LYS N N 119.996 . 1 296 35 35 LYS H H 8.120 . 1 297 35 35 LYS HA H 4.777 . 1 298 35 35 LYS C C 178.174 . 1 299 35 35 LYS CA C 57.359 . 1 300 35 35 LYS CB C 30.609 . 1 301 35 35 LYS N N 125.447 . 1 302 36 36 GLU H H 7.656 . 1 303 36 36 GLU HA H 4.248 . 1 304 36 36 GLU HB2 H 2.273 . 2 305 36 36 GLU HB3 H 2.012 . 2 306 36 36 GLU HG2 H 2.279 . 2 307 36 36 GLU HG3 H 2.279 . 2 308 36 36 GLU C C 176.365 . 1 309 36 36 GLU CA C 56.807 . 1 310 36 36 GLU CB C 30.061 . 1 311 36 36 GLU CG C 36.391 . 1 312 36 36 GLU N N 115.748 . 1 313 37 37 LEU H H 8.234 . 1 314 37 37 LEU HA H 5.199 . 1 315 37 37 LEU HB2 H 1.581 . 2 316 37 37 LEU HB3 H 1.581 . 2 317 37 37 LEU HD1 H 0.892 . 2 318 37 37 LEU HD2 H 0.892 . 2 319 37 37 LEU C C 172.542 . 1 320 37 37 LEU CA C 55.087 . 1 321 37 37 LEU CB C 42.452 . 1 322 37 37 LEU N N 123.315 . 1 323 38 38 LEU H H 8.817 . 1 324 38 38 LEU HA H 4.781 . 1 325 38 38 LEU CA C 54.638 . 1 326 38 38 LEU CB C 42.263 . 1 327 38 38 LEU N N 122.588 . 1 328 39 39 PHE HA H 5.640 . 1 329 39 39 PHE HB2 H 3.166 . 2 330 39 39 PHE HB3 H 3.166 . 2 331 39 39 PHE HD1 H 7.013 . 3 332 39 39 PHE C C 174.372 . 1 333 39 39 PHE CA C 57.461 . 1 334 39 39 PHE CB C 44.579 . 1 335 40 40 MET H H 8.888 . 1 336 40 40 MET HA H 4.684 . 1 337 40 40 MET C C 174.653 . 1 338 40 40 MET CA C 55.434 . 1 339 40 40 MET CB C 30.152 . 1 340 40 40 MET N N 125.282 . 1 341 41 41 CYS H H 8.481 . 1 342 41 41 CYS HA H 4.606 . 1 343 41 41 CYS HB2 H 3.101 . 2 344 41 41 CYS HB3 H 3.101 . 2 345 41 41 CYS C C 173.922 . 1 346 41 41 CYS CA C 56.031 . 1 347 41 41 CYS CB C 30.241 . 1 348 41 41 CYS N N 123.393 . 1 349 42 42 GLN H H 8.115 . 1 350 42 42 GLN HA H 4.928 . 1 351 42 42 GLN HB2 H 2.008 . 2 352 42 42 GLN HB3 H 2.008 . 2 353 42 42 GLN C C 174.247 . 1 354 42 42 GLN CA C 54.798 . 1 355 42 42 GLN CB C 32.886 . 1 356 42 42 GLN CG C 34.467 . 1 357 42 42 GLN N N 123.886 . 1 358 43 43 THR H H 9.213 . 1 359 43 43 THR HA H 5.010 . 1 360 43 43 THR HB H 3.365 . 1 361 43 43 THR HG2 H 0.987 . 1 362 43 43 THR C C 172.230 . 1 363 43 43 THR CA C 62.017 . 1 364 43 43 THR CB C 72.257 . 1 365 43 43 THR CG2 C 22.096 . 1 366 43 43 THR N N 123.790 . 1 367 44 44 VAL H H 8.983 . 1 368 44 44 VAL HA H 4.379 . 1 369 44 44 VAL HB H 1.948 . 1 370 44 44 VAL HG1 H 0.876 . 2 371 44 44 VAL HG2 H 0.876 . 2 372 44 44 VAL C C 175.446 . 1 373 44 44 VAL CA C 61.840 . 1 374 44 44 VAL CB C 33.171 . 1 375 44 44 VAL CG1 C 21.500 . 2 376 44 44 VAL CG2 C 21.500 . 2 377 44 44 VAL N N 126.625 . 1 378 45 45 VAL H H 9.396 . 1 379 45 45 VAL HA H 4.640 . 1 380 45 45 VAL HB H 2.432 . 1 381 45 45 VAL HG1 H 1.046 . 2 382 45 45 VAL HG2 H 0.971 . 2 383 45 45 VAL C C 175.125 . 1 384 45 45 VAL CA C 62.246 . 1 385 45 45 VAL CB C 32.533 . 1 386 45 45 VAL CG1 C 23.988 . 2 387 45 45 VAL CG2 C 21.744 . 2 388 45 45 VAL N N 131.092 . 1 389 46 46 ALA H H 9.319 . 1 390 46 46 ALA HA H 5.127 . 1 391 46 46 ALA HB H 1.486 . 1 392 46 46 ALA CA C 49.695 . 1 393 46 46 ALA CB C 21.250 . 1 394 46 46 ALA N N 133.889 . 1 395 47 47 PRO HA H 4.842 . 1 396 47 47 PRO HB2 H 1.996 . 2 397 47 47 PRO HB3 H 2.416 . 2 398 47 47 PRO HD2 H 3.818 . 2 399 47 47 PRO HD3 H 3.818 . 2 400 47 47 PRO HG2 H 2.059 . 2 401 47 47 PRO HG3 H 2.231 . 2 402 47 47 PRO C C 176.697 . 1 403 47 47 PRO CA C 63.071 . 1 404 47 47 PRO CB C 32.204 . 1 405 47 47 PRO CD C 50.601 . 1 406 47 47 PRO CG C 27.736 . 1 407 48 48 SER H H 8.058 . 1 408 48 48 SER HA H 4.906 . 1 409 48 48 SER HB2 H 4.111 . 2 410 48 48 SER HB3 H 3.483 . 2 411 48 48 SER C C 176.642 . 1 412 48 48 SER CA C 55.681 . 1 413 48 48 SER CB C 65.560 . 1 414 48 48 SER N N 117.611 . 1 415 49 49 THR H H 8.753 . 1 416 49 49 THR HA H 4.130 . 1 417 49 49 THR HB H 4.325 . 1 418 49 49 THR HG2 H 1.328 . 1 419 49 49 THR C C 175.675 . 1 420 49 49 THR CA C 64.701 . 1 421 49 49 THR CB C 68.848 . 1 422 49 49 THR CG2 C 22.115 . 1 423 49 49 THR N N 116.967 . 1 424 50 50 GLU H H 8.205 . 1 425 50 50 GLU HA H 4.450 . 1 426 50 50 GLU HB2 H 2.312 . 2 427 50 50 GLU HB3 H 2.002 . 2 428 50 50 GLU HG2 H 2.285 . 2 429 50 50 GLU HG3 H 2.285 . 2 430 50 50 GLU C C 177.030 . 1 431 50 50 GLU CA C 56.573 . 1 432 50 50 GLU CB C 29.315 . 1 433 50 50 GLU CG C 36.824 . 1 434 50 50 GLU N N 118.515 . 1 435 51 51 GLY H H 7.766 . 1 436 51 51 GLY HA2 H 4.456 . 2 437 51 51 GLY HA3 H 3.884 . 2 438 51 51 GLY C C 174.918 . 1 439 51 51 GLY CA C 45.473 . 1 440 51 51 GLY N N 106.565 . 1 441 52 52 GLY H H 7.796 . 1 442 52 52 GLY HA2 H 4.684 . 2 443 52 52 GLY HA3 H 4.172 . 2 444 52 52 GLY C C 173.441 . 1 445 52 52 GLY CA C 43.922 . 1 446 52 52 GLY N N 108.622 . 1 447 53 53 LEU H H 8.173 . 1 448 53 53 LEU HA H 5.175 . 1 449 53 53 LEU HB2 H 1.211 . 2 450 53 53 LEU HB3 H 1.211 . 2 451 53 53 LEU HD1 H 0.549 . 2 452 53 53 LEU HD2 H 0.549 . 2 453 53 53 LEU HG H 1.340 . 1 454 53 53 LEU C C 174.455 . 1 455 53 53 LEU CA C 53.384 . 1 456 53 53 LEU CB C 47.611 . 1 457 53 53 LEU CD1 C 24.779 . 2 458 53 53 LEU CD2 C 24.779 . 2 459 53 53 LEU CG C 26.172 . 1 460 53 53 LEU N N 120.018 . 1 461 54 54 ASN H H 9.479 . 1 462 54 54 ASN HA H 5.219 . 1 463 54 54 ASN HB2 H 2.481 . 2 464 54 54 ASN HB3 H 2.481 . 2 465 54 54 ASN HD21 H 6.843 . 2 466 54 54 ASN HD22 H 6.843 . 2 467 54 54 ASN C C 173.960 . 1 468 54 54 ASN CA C 52.276 . 1 469 54 54 ASN CB C 41.095 . 1 470 54 54 ASN N N 120.243 . 1 471 55 55 LEU H H 9.414 . 1 472 55 55 LEU HA H 4.973 . 1 473 55 55 LEU HB2 H 1.718 . 2 474 55 55 LEU HB3 H 1.466 . 2 475 55 55 LEU HD2 H 0.743 . 2 476 55 55 LEU C C 176.326 . 1 477 55 55 LEU CA C 54.277 . 1 478 55 55 LEU CB C 42.977 . 1 479 55 55 LEU CD1 C 25.312 . 2 480 55 55 LEU CD2 C 25.312 . 2 481 55 55 LEU N N 127.406 . 1 482 56 56 THR H H 8.954 . 1 483 56 56 THR HA H 5.027 . 1 484 56 56 THR HB H 4.069 . 1 485 56 56 THR HG2 H 1.073 . 1 486 56 56 THR C C 175.463 . 1 487 56 56 THR CA C 62.471 . 1 488 56 56 THR CB C 69.146 . 1 489 56 56 THR CG2 C 21.264 . 1 490 56 56 THR N N 122.060 . 1 491 57 57 SER H H 9.602 . 1 492 57 57 SER HA H 5.923 . 1 493 57 57 SER HB2 H 3.777 . 2 494 57 57 SER HB3 H 3.743 . 2 495 57 57 SER C C 172.561 . 1 496 57 57 SER CA C 57.496 . 1 497 57 57 SER CB C 65.915 . 1 498 57 57 SER N N 127.179 . 1 499 58 58 THR H H 8.870 . 1 500 58 58 THR HA H 5.510 . 1 501 58 58 THR HB H 3.846 . 1 502 58 58 THR HG2 H 2.051 . 1 503 58 58 THR C C 177.158 . 1 504 58 58 THR CA C 60.414 . 1 505 58 58 THR CB C 68.611 . 1 506 58 58 THR N N 120.509 . 1 507 59 59 PHE H H 8.637 . 1 508 59 59 PHE HD1 H 7.116 . 3 509 59 59 PHE C C 177.204 . 1 510 59 59 PHE CA C 55.241 . 1 511 59 59 PHE CB C 42.417 . 1 512 59 59 PHE N N 115.595 . 1 513 60 60 LEU H H 8.285 . 1 514 60 60 LEU HA H 4.349 . 1 515 60 60 LEU C C 174.397 . 1 516 60 60 LEU CA C 57.504 . 1 517 60 60 LEU CB C 39.730 . 1 518 60 60 LEU N N 122.770 . 1 519 61 61 ARG H H 8.284 . 1 520 61 61 ARG HA H 4.292 . 1 521 61 61 ARG HB2 H 2.041 . 2 522 61 61 ARG HB3 H 2.041 . 2 523 61 61 ARG HD2 H 2.381 . 2 524 61 61 ARG C C 176.011 . 1 525 61 61 ARG CA C 56.560 . 1 526 61 61 ARG CB C 29.582 . 1 527 61 61 ARG CD C 39.46 . 1 528 61 61 ARG N N 122.8 . 1 529 62 62 LYS H H 8.626 . 1 530 62 62 LYS HA H 3.865 . 1 531 62 62 LYS HB2 H 1.957 . 2 532 62 62 LYS HB3 H 1.957 . 2 533 62 62 LYS HE2 H 3.026 . 2 534 62 62 LYS HE3 H 3.026 . 2 535 62 62 LYS HG2 H 1.468 . 2 536 62 62 LYS HG3 H 1.468 . 2 537 62 62 LYS C C 175.311 . 1 538 62 62 LYS CA C 58.348 . 1 539 62 62 LYS CB C 29.980 . 1 540 62 62 LYS CD C 30.154 . 1 541 62 62 LYS CE C 42.012 . 1 542 62 62 LYS CG C 25.472 . 1 543 62 62 LYS N N 122.602 . 1 544 63 63 ASN H H 8.715 . 1 545 63 63 ASN HA H 4.390 . 1 546 63 63 ASN HB2 H 3.091 . 2 547 63 63 ASN HB3 H 2.834 . 2 548 63 63 ASN C C 173.751 . 1 549 63 63 ASN CA C 54.269 . 1 550 63 63 ASN CB C 38.848 . 1 551 63 63 ASN N N 112.664 . 1 552 64 64 GLN H H 8.003 . 1 553 64 64 GLN HA H 4.680 . 1 554 64 64 GLN HB2 H 2.136 . 2 555 64 64 GLN HB3 H 2.006 . 2 556 64 64 GLN HG2 H 2.374 . 2 557 64 64 GLN HG3 H 2.374 . 2 558 64 64 GLN C C 173.629 . 1 559 64 64 GLN CA C 53.849 . 1 560 64 64 GLN CB C 32.151 . 1 561 64 64 GLN CG C 33.267 . 1 562 64 64 GLN N N 118.296 . 1 563 65 65 CYS H H 8.698 . 1 564 65 65 CYS HA H 5.227 . 1 565 65 65 CYS HB2 H 2.694 . 2 566 65 65 CYS HB3 H 2.694 . 2 567 65 65 CYS C C 174.540 . 1 568 65 65 CYS CA C 53.326 . 1 569 65 65 CYS CB C 37.275 . 1 570 65 65 CYS N N 119.941 . 1 571 66 66 GLU H H 9.102 . 1 572 66 66 GLU HA H 4.530 . 1 573 66 66 GLU HB2 H 1.627 . 2 574 66 66 GLU HB3 H 1.277 . 2 575 66 66 GLU HG2 H 2.080 . 2 576 66 66 GLU HG3 H 2.127 . 2 577 66 66 GLU C C 174.051 . 1 578 66 66 GLU CA C 55.170 . 1 579 66 66 GLU CB C 33.436 . 1 580 66 66 GLU CG C 36.509 . 1 581 66 66 GLU N N 127.355 . 1 582 67 67 THR H H 8.299 . 1 583 67 67 THR HA H 5.649 . 1 584 67 67 THR HB H 3.816 . 1 585 67 67 THR HG2 H 1.072 . 1 586 67 67 THR C C 174.632 . 1 587 67 67 THR CA C 60.845 . 1 588 67 67 THR CB C 71.826 . 1 589 67 67 THR CG2 C 21.670 . 1 590 67 67 THR N N 115.722 . 1 591 68 68 LYS H H 9.177 . 1 592 68 68 LYS HA H 4.841 . 1 593 68 68 LYS HB2 H 1.943 . 2 594 68 68 LYS HB3 H 1.943 . 2 595 68 68 LYS HD2 H 1.776 . 2 596 68 68 LYS HD3 H 1.776 . 2 597 68 68 LYS HE2 H 2.950 . 2 598 68 68 LYS HE3 H 2.950 . 2 599 68 68 LYS HG2 H 1.452 . 2 600 68 68 LYS HG3 H 0.858 . 2 601 68 68 LYS C C 174.330 . 1 602 68 68 LYS CA C 54.773 . 1 603 68 68 LYS CB C 37.028 . 1 604 68 68 LYS CD C 28.951 . 1 605 68 68 LYS CE C 41.970 . 1 606 68 68 LYS N N 125.457 . 1 607 69 69 VAL H H 8.723 . 1 608 69 69 VAL HA H 5.141 . 1 609 69 69 VAL HB H 1.951 . 1 610 69 69 VAL HG1 H 0.998 . 2 611 69 69 VAL HG2 H 0.829 . 2 612 69 69 VAL C C 175.866 . 1 613 69 69 VAL CA C 61.176 . 1 614 69 69 VAL CB C 33.748 . 1 615 69 69 VAL CG1 C 21.164 . 2 616 69 69 VAL CG2 C 21.164 . 2 617 69 69 VAL N N 124.464 . 1 618 70 70 MET H H 9.126 . 1 619 70 70 MET HA H 4.855 . 1 620 70 70 MET C C 173.518 . 1 621 70 70 MET CA C 54.349 . 1 622 70 70 MET CB C 36.483 . 1 623 70 70 MET CG C 31.869 . 1 624 70 70 MET N N 127.672 . 1 625 71 71 VAL H H 8.546 . 1 626 71 71 VAL HA H 3.867 . 1 627 71 71 VAL HB H 1.933 . 1 628 71 71 VAL HG1 H 0.834 . 2 629 71 71 VAL C C 176.344 . 1 630 71 71 VAL CA C 65.708 . 1 631 71 71 VAL CB C 36.935 . 1 632 71 71 VAL CG1 C 25.107 . 2 633 71 71 VAL CG2 C 25.107 . 2 634 71 71 VAL N N 124.928 . 1 635 72 72 LEU H H 9.229 . 1 636 72 72 LEU HA H 4.283 . 1 637 72 72 LEU HB2 H 1.587 . 2 638 72 72 LEU HB3 H 1.487 . 2 639 72 72 LEU HD1 H 0.869 . 2 640 72 72 LEU HD2 H 0.827 . 2 641 72 72 LEU HG H 1.577 . 1 642 72 72 LEU C C 177.275 . 1 643 72 72 LEU CA C 55.212 . 1 644 72 72 LEU CB C 42.477 . 1 645 72 72 LEU CD1 C 25.086 . 2 646 72 72 LEU CD2 C 23.514 . 2 647 72 72 LEU CG C 27.032 . 1 648 72 72 LEU N N 121.053 . 1 649 73 73 GLN H H 8.291 . 1 650 73 73 GLN HA H 4.185 . 1 651 73 73 GLN HB2 H 1.871 . 2 652 73 73 GLN HB3 H 1.871 . 2 653 73 73 GLN CA C 56.628 . 1 654 73 73 GLN CB C 30.250 . 1 655 73 73 GLN N N 121.273 . 1 656 74 74 PRO HA H 4.352 . 1 657 74 74 PRO HB2 H 1.946 . 2 658 74 74 PRO HB3 H 2.407 . 2 659 74 74 PRO HD2 H 3.591 . 2 660 74 74 PRO HD3 H 3.591 . 2 661 74 74 PRO HG2 H 2.005 . 2 662 74 74 PRO HG3 H 2.279 . 2 663 74 74 PRO C C 177.201 . 1 664 74 74 PRO CA C 64.115 . 1 665 74 74 PRO CB C 32.452 . 1 666 74 74 PRO CD C 50.861 . 1 667 74 74 PRO CG C 28.214 . 1 668 75 75 ALA H H 8.184 . 1 669 75 75 ALA HA H 4.661 . 1 670 75 75 ALA HB H 1.225 . 1 671 75 75 ALA C C 177.010 . 1 672 75 75 ALA CA C 50.959 . 1 673 75 75 ALA CB C 19.780 . 1 674 75 75 ALA N N 126.794 . 1 675 76 76 GLY H H 8.129 . 1 676 76 76 GLY HA2 H 4.211 . 2 677 76 76 GLY HA3 H 3.627 . 2 678 76 76 GLY C C 173.573 . 1 679 76 76 GLY CA C 46.284 . 1 680 76 76 GLY N N 108.088 . 1 681 77 77 VAL H H 7.362 . 1 682 77 77 VAL HA H 4.512 . 1 683 77 77 VAL HB H 1.949 . 1 684 77 77 VAL HG1 H 0.900 . 2 685 77 77 VAL HG2 H 0.845 . 2 686 77 77 VAL CA C 59.136 . 1 687 77 77 VAL CB C 34.031 . 1 688 77 77 VAL CG1 C 20.665 . 2 689 77 77 VAL CG2 C 20.665 . 2 690 77 77 VAL N N 121.222 . 1 691 78 78 PRO HA H 4.352 . 1 692 78 78 PRO HB2 H 2.518 . 2 693 78 78 PRO HB3 H 2.518 . 2 694 78 78 PRO C C 176.329 . 1 695 78 78 PRO CA C 64.162 . 1 696 78 78 PRO CB C 32.050 . 1 697 78 78 PRO CD C 51.152 . 1 698 78 78 PRO CG C 28.520 . 1 699 79 79 GLY H H 8.022 . 1 700 79 79 GLY HA2 H 3.559 . 2 701 79 79 GLY HA3 H 2.145 . 2 702 79 79 GLY C C 171.684 . 1 703 79 79 GLY CA C 44.492 . 1 704 79 79 GLY N N 112.248 . 1 705 80 80 GLN H H 7.772 . 1 706 80 80 GLN HA H 5.002 . 1 707 80 80 GLN HB2 H 1.978 . 2 708 80 80 GLN HB3 H 1.901 . 2 709 80 80 GLN HG2 H 2.169 . 2 710 80 80 GLN HG3 H 2.169 . 2 711 80 80 GLN C C 175.138 . 1 712 80 80 GLN CA C 54.875 . 1 713 80 80 GLN CB C 30.806 . 1 714 80 80 GLN CG C 34.503 . 1 715 80 80 GLN N N 118.449 . 1 716 81 81 TYR H H 9.255 . 1 717 81 81 TYR HA H 5.405 . 1 718 81 81 TYR HB2 H 3.069 . 2 719 81 81 TYR HB3 H 3.069 . 2 720 81 81 TYR C C 176.006 . 1 721 81 81 TYR CA C 57.095 . 1 722 81 81 TYR CB C 44.841 . 1 723 81 81 TYR N N 121.472 . 1 724 82 82 THR H H 9.531 . 1 725 82 82 THR HA H 5.463 . 1 726 82 82 THR C C 176.966 . 1 727 82 82 THR CA C 60.245 . 1 728 82 82 THR CB C 64.617 . 1 729 82 82 THR N N 113.668 . 1 730 83 83 TYR H H 9.239 . 1 731 83 83 TYR HA H 4.665 . 1 732 83 83 TYR HB2 H 2.827 . 2 733 83 83 TYR HB3 H 2.827 . 2 734 83 83 TYR HD1 H 6.980 . 3 735 83 83 TYR C C 176.158 . 1 736 83 83 TYR CA C 54.584 . 1 737 83 83 TYR CB C 41.149 . 1 738 83 83 TYR N N 121.072 . 1 739 84 84 ASN H H 8.139 . 1 740 84 84 ASN HA H 4.637 . 1 741 84 84 ASN HB2 H 2.498 . 2 742 84 84 ASN HB3 H 2.498 . 2 743 84 84 ASN C C 179.511 . 1 744 84 84 ASN CA C 52.561 . 1 745 84 84 ASN CB C 42.307 . 1 746 84 84 ASN N N 114.607 . 1 747 85 85 SER H H 8.921 . 1 748 85 85 SER HA H 4.641 . 1 749 85 85 SER CA C 56.050 . 1 750 85 85 SER CB C 68.952 . 1 751 85 85 SER N N 117.345 . 1 752 86 86 PRO HA H 4.743 . 1 753 86 86 PRO HB2 H 2.098 . 2 754 86 86 PRO HB3 H 2.376 . 2 755 86 86 PRO HD2 H 3.857 . 2 756 86 86 PRO HD3 H 3.857 . 2 757 86 86 PRO HG2 H 1.975 . 2 758 86 86 PRO HG3 H 1.975 . 2 759 86 86 PRO C C 176.808 . 1 760 86 86 PRO CA C 62.055 . 1 761 86 86 PRO CB C 32.364 . 1 762 86 86 PRO CD C 50.813 . 1 763 86 86 PRO CG C 27.432 . 1 764 87 87 HIS H H 8.880 . 1 765 87 87 HIS HA H 4.630 . 1 766 87 87 HIS C C 175.870 . 1 767 87 87 HIS CA C 54.582 . 1 768 87 87 HIS CB C 29.038 . 1 769 87 87 HIS N N 121.591 . 1 770 88 88 TRP H H 7.986 . 1 771 88 88 TRP HA H 4.464 . 1 772 88 88 TRP HB2 H 3.037 . 2 773 88 88 TRP C C 176.318 . 1 774 88 88 TRP CA C 56.269 . 1 775 88 88 TRP CB C 29.305 . 1 776 88 88 TRP N N 124.181 . 1 777 89 89 GLY H H 8.577 . 1 778 89 89 GLY HA2 H 4.082 . 2 779 89 89 GLY HA3 H 3.661 . 2 780 89 89 GLY CA C 45.391 . 1 781 89 89 GLY N N 109.788 . 1 782 90 90 SER C C 173.237 . 1 783 90 90 SER CA C 61.826 . 1 784 90 90 SER CB C 61.82 . 1 785 91 91 PHE H H 8.896 . 1 786 91 91 PHE HA H 5.690 . 1 787 91 91 PHE HB2 H 2.549 . 2 788 91 91 PHE HB3 H 1.915 . 2 789 91 91 PHE HD1 H 7.005 . 3 790 91 91 PHE C C 174.151 . 1 791 91 91 PHE CA C 52.212 . 1 792 91 91 PHE CB C 37.843 . 1 793 91 91 PHE N N 122.782 . 1 794 92 92 HIS H H 9.213 . 1 795 92 92 HIS HA H 5.335 . 1 796 92 92 HIS CA C 53.008 . 1 797 92 92 HIS CB C 29.754 . 1 798 92 92 HIS N N 124.645 . 1 799 93 93 SER HA H 4.431 . 1 800 93 93 SER C C 176.392 . 1 801 93 93 SER CA C 63.540 . 1 802 94 94 LEU H H 8.014 . 1 803 94 94 LEU HA H 5.082 . 1 804 94 94 LEU C C 174.681 . 1 805 94 94 LEU CA C 55.054 . 1 806 94 94 LEU N N 124.131 . 1 807 95 95 SER H H 9.075 . 1 808 95 95 SER HA H 5.522 . 1 809 95 95 SER HB2 H 3.835 . 2 810 95 95 SER HB3 H 3.835 . 2 811 95 95 SER C C 174.043 . 1 812 95 95 SER CA C 56.442 . 1 813 95 95 SER CB C 66.047 . 1 814 95 95 SER N N 120.186 . 1 815 96 96 VAL H H 8.628 . 1 816 96 96 VAL HA H 3.846 . 1 817 96 96 VAL HB H 1.416 . 1 818 96 96 VAL HG1 H 0.332 . 2 819 96 96 VAL HG2 H 0.050 . 2 820 96 96 VAL C C 174.024 . 1 821 96 96 VAL CA C 62.218 . 1 822 96 96 VAL CB C 29.103 . 1 823 96 96 VAL CG1 C 21.052 . 2 824 96 96 VAL CG2 C 21.052 . 2 825 96 96 VAL N N 126.690 . 1 826 97 97 VAL H H 8.199 . 1 827 97 97 VAL HA H 3.526 . 1 828 97 97 VAL HB H 1.893 . 1 829 97 97 VAL HG1 H 1.170 . 2 830 97 97 VAL HG2 H 1.062 . 2 831 97 97 VAL C C 174.790 . 1 832 97 97 VAL CA C 66.128 . 1 833 97 97 VAL CB C 32.498 . 1 834 97 97 VAL CG1 C 23.764 . 2 835 97 97 VAL CG2 C 22.461 . 2 836 97 97 VAL N N 128.564 . 1 837 98 98 GLU H H 7.161 . 1 838 98 98 GLU HA H 4.964 . 1 839 98 98 GLU HB2 H 2.064 . 2 840 98 98 GLU HB3 H 1.884 . 2 841 98 98 GLU HG2 H 2.320 . 2 842 98 98 GLU HG3 H 2.320 . 2 843 98 98 GLU C C 174.335 . 1 844 98 98 GLU CA C 54.671 . 1 845 98 98 GLU CB C 34.053 . 1 846 98 98 GLU CG C 36.493 . 1 847 98 98 GLU N N 113.669 . 1 848 99 99 THR H H 8.361 . 1 849 99 99 THR HA H 3.952 . 1 850 99 99 THR C C 169.349 . 1 851 99 99 THR CA C 59.705 . 1 852 99 99 THR CB C 69.260 . 1 853 99 99 THR CG2 C 22.371 . 1 854 99 99 THR N N 118.786 . 1 855 100 100 ASP H H 6.964 . 1 856 100 100 ASP HA H 4.620 . 1 857 100 100 ASP HB2 H 2.452 . 2 858 100 100 ASP HB3 H 2.452 . 2 859 100 100 ASP CA C 52.510 . 1 860 100 100 ASP CB C 42.334 . 1 861 100 100 ASP N N 124.092 . 1 862 101 101 TYR C C 175.370 . 1 863 101 101 TYR CA C 58.241 . 1 864 101 101 TYR CB C 43.508 . 1 865 102 102 ASP H H 7.314 . 1 866 102 102 ASP HA H 4.608 . 1 867 102 102 ASP HB2 H 2.818 . 2 868 102 102 ASP HB3 H 2.552 . 2 869 102 102 ASP C C 176.335 . 1 870 102 102 ASP CA C 55.199 . 1 871 102 102 ASP CB C 42.641 . 1 872 102 102 ASP N N 118.181 . 1 873 103 103 GLU H H 9.382 . 1 874 103 103 GLU HA H 4.806 . 1 875 103 103 GLU HB2 H 2.720 . 2 876 103 103 GLU HB3 H 2.649 . 2 877 103 103 GLU HG2 H 2.301 . 2 878 103 103 GLU HG3 H 2.447 . 2 879 103 103 GLU C C 176.925 . 1 880 103 103 GLU CA C 59.440 . 1 881 103 103 GLU CB C 32.970 . 1 882 103 103 GLU CG C 36.755 . 1 883 103 103 GLU N N 120.033 . 1 884 104 104 TYR H H 9.835 . 1 885 104 104 TYR HA H 6.313 . 1 886 104 104 TYR HB2 H 2.998 . 2 887 104 104 TYR HB3 H 2.998 . 2 888 104 104 TYR C C 174.155 . 1 889 104 104 TYR CA C 57.034 . 1 890 104 104 TYR CB C 44.752 . 1 891 104 104 TYR N N 120.962 . 1 892 105 105 ALA H H 9.487 . 1 893 105 105 ALA HA H 4.515 . 1 894 105 105 ALA HB H 0.987 . 1 895 105 105 ALA C C 174.355 . 1 896 105 105 ALA CA C 51.857 . 1 897 105 105 ALA CB C 22.440 . 1 898 105 105 ALA N N 123.187 . 1 899 106 106 PHE H H 9.258 . 1 900 106 106 PHE HA H 5.683 . 1 901 106 106 PHE HB2 H 3.030 . 2 902 106 106 PHE HB3 H 3.030 . 2 903 106 106 PHE HD1 H 7.068 . 3 904 106 106 PHE HE1 H 6.561 . 3 905 106 106 PHE C C 178.287 . 1 906 106 106 PHE CA C 57.492 . 1 907 106 106 PHE CB C 44.582 . 1 908 106 106 PHE N N 121.052 . 1 909 107 107 LEU H H 9.608 . 1 910 107 107 LEU HA H 4.404 . 1 911 107 107 LEU C C 175.499 . 1 912 107 107 LEU CA C 54.642 . 1 913 107 107 LEU CB C 43.030 . 1 914 107 107 LEU CD1 C 26.657 . 2 915 107 107 LEU CD2 C 26.657 . 2 916 107 107 LEU CG C 31.816 . 1 917 107 107 LEU N N 130.206 . 1 918 108 108 PHE H H 8.189 . 1 919 108 108 PHE HA H 4.248 . 1 920 108 108 PHE HD1 H 7.300 . 3 921 108 108 PHE C C 176.381 . 1 922 108 108 PHE CA C 56.803 . 1 923 108 108 PHE CB C 45.390 . 1 924 108 108 PHE N N 117.361 . 1 925 109 109 SER H H 8.226 . 1 926 109 109 SER HA H 4.500 . 1 927 109 109 SER HB2 H 3.823 . 2 928 109 109 SER HB3 H 3.823 . 2 929 109 109 SER C C 174.604 . 1 930 109 109 SER CA C 58.507 . 1 931 109 109 SER CB C 63.979 . 1 932 109 109 SER N N 124.811 . 1 933 110 110 LYS H H 8.615 . 1 934 110 110 LYS HA H 4.345 . 1 935 110 110 LYS HB2 H 2.390 . 2 936 110 110 LYS HB3 H 2.390 . 2 937 110 110 LYS C C 176.300 . 1 938 110 110 LYS CA C 56.083 . 1 939 110 110 LYS CB C 29.282 . 1 940 110 110 LYS CE C 41.910 . 1 941 110 110 LYS N N 120.502 . 1 942 111 111 GLY H H 8.385 . 1 943 111 111 GLY HA2 H 4.245 . 2 944 111 111 GLY HA3 H 3.642 . 2 945 111 111 GLY C C 173.555 . 1 946 111 111 GLY CA C 46.292 . 1 947 111 111 GLY N N 108.294 . 1 948 112 112 THR H H 7.357 . 1 949 112 112 THR HA H 4.062 . 1 950 112 112 THR C C 176.358 . 1 951 112 112 THR CA C 55.893 . 1 952 112 112 THR CB C 73.530 . 1 953 112 112 THR N N 122.724 . 1 954 113 113 LYS H H 8.280 . 1 955 113 113 LYS HA H 4.422 . 1 956 113 113 LYS HB2 H 1.854 . 2 957 113 113 LYS HB3 H 1.652 . 2 958 113 113 LYS HD2 H 2.389 . 2 959 113 113 LYS HD3 H 2.389 . 2 960 113 113 LYS HE2 H 2.821 . 2 961 113 113 LYS HE3 H 2.821 . 2 962 113 113 LYS HG2 H 1.440 . 2 963 113 113 LYS HG3 H 1.382 . 2 964 113 113 LYS C C 175.722 . 1 965 113 113 LYS CA C 56.276 . 1 966 113 113 LYS CB C 33.499 . 1 967 113 113 LYS CD C 29.097 . 1 968 113 113 LYS CE C 41.867 . 1 969 113 113 LYS CG C 24.900 . 1 970 113 113 LYS N N 120.856 . 1 971 114 114 GLY H H 8.380 . 1 972 114 114 GLY HA2 H 4.775 . 2 973 114 114 GLY HA3 H 3.912 . 2 974 114 114 GLY CA C 44.328 . 1 975 114 114 GLY N N 111.290 . 1 976 115 115 PRO HA H 4.354 . 1 977 115 115 PRO HB2 H 1.963 . 2 978 115 115 PRO HB3 H 2.308 . 2 979 115 115 PRO HD2 H 3.624 . 2 980 115 115 PRO HD3 H 3.624 . 2 981 115 115 PRO HG2 H 2.025 . 2 982 115 115 PRO HG3 H 2.130 . 2 983 115 115 PRO C C 178.294 . 1 984 115 115 PRO CA C 64.142 . 1 985 115 115 PRO CB C 31.501 . 1 986 115 115 PRO CD C 49.552 . 1 987 115 115 PRO CG C 27.583 . 1 988 116 116 GLY H H 8.828 . 1 989 116 116 GLY HA2 H 4.154 . 2 990 116 116 GLY HA3 H 3.926 . 2 991 116 116 GLY C C 174.880 . 1 992 116 116 GLY CA C 45.705 . 1 993 116 116 GLY N N 111.836 . 1 994 117 117 GLN H H 7.984 . 1 995 117 117 GLN HA H 4.258 . 1 996 117 117 GLN HB2 H 1.877 . 2 997 117 117 GLN HB3 H 1.877 . 2 998 117 117 GLN HG2 H 2.114 . 2 999 117 117 GLN HG3 H 2.114 . 2 1000 117 117 GLN C C 177.290 . 1 1001 117 117 GLN CA C 55.584 . 1 1002 117 117 GLN CB C 32.345 . 1 1003 117 117 GLN CG C 33.949 . 1 1004 117 117 GLN N N 119.929 . 1 1005 118 118 ASP H H 7.598 . 1 1006 118 118 ASP HA H 4.454 . 1 1007 118 118 ASP C C 175.961 . 1 1008 118 118 ASP CA C 53.762 . 1 1009 118 118 ASP CB C 37.532 . 1 1010 118 118 ASP N N 119.418 . 1 1011 119 119 PHE H H 8.457 . 1 1012 119 119 PHE HA H 4.849 . 1 1013 119 119 PHE HD1 H 6.897 . 3 1014 119 119 PHE HE1 H 7.052 . 3 1015 119 119 PHE C C 176.373 . 1 1016 119 119 PHE CA C 54.519 . 1 1017 119 119 PHE CB C 43.613 . 1 1018 119 119 PHE N N 127.648 . 1 1019 120 120 ARG H H 9.169 . 1 1020 120 120 ARG HA H 4.638 . 1 1021 120 120 ARG HB2 H 1.846 . 2 1022 120 120 ARG HB3 H 1.846 . 2 1023 120 120 ARG C C 176.000 . 1 1024 120 120 ARG CA C 56.299 . 1 1025 120 120 ARG CB C 32.831 . 1 1026 120 120 ARG CD C 43.488 . 1 1027 120 120 ARG N N 128.487 . 1 1028 121 121 MET H H 8.429 . 1 1029 121 121 MET HA H 5.310 . 1 1030 121 121 MET C C 173.267 . 1 1031 121 121 MET CA C 54.849 . 1 1032 121 121 MET N N 122.696 . 1 1033 122 122 ALA H H 9.804 . 1 1034 122 122 ALA HA H 5.811 . 1 1035 122 122 ALA HB H 1.548 . 1 1036 122 122 ALA C C 175.953 . 1 1037 122 122 ALA CA C 50.117 . 1 1038 122 122 ALA CB C 22.345 . 1 1039 122 122 ALA N N 132.888 . 1 1040 123 123 THR H H 9.118 . 1 1041 123 123 THR HA H 4.951 . 1 1042 123 123 THR HB H 3.689 . 1 1043 123 123 THR HG2 H 1.216 . 1 1044 123 123 THR C C 171.416 . 1 1045 123 123 THR CA C 62.545 . 1 1046 123 123 THR CB C 71.329 . 1 1047 123 123 THR CG2 C 21.790 . 1 1048 123 123 THR N N 118.226 . 1 1049 124 124 LEU H H 8.441 . 1 1050 124 124 LEU HA H 4.741 . 1 1051 124 124 LEU HB2 H 1.249 . 2 1052 124 124 LEU HB3 H 1.249 . 2 1053 124 124 LEU C C 174.782 . 1 1054 124 124 LEU CA C 53.959 . 1 1055 124 124 LEU CB C 40.672 . 1 1056 124 124 LEU N N 130.728 . 1 1057 125 125 TYR H H 9.444 . 1 1058 125 125 TYR HA H 5.855 . 1 1059 125 125 TYR HB2 H 2.858 . 2 1060 125 125 TYR HB3 H 2.858 . 2 1061 125 125 TYR C C 175.054 . 1 1062 125 125 TYR CA C 54.068 . 1 1063 125 125 TYR CB C 38.822 . 1 1064 125 125 TYR N N 129.349 . 1 1065 126 126 SER H H 9.865 . 1 1066 126 126 SER HA H 5.904 . 1 1067 126 126 SER HB2 H 3.996 . 2 1068 126 126 SER HB3 H 3.955 . 2 1069 126 126 SER C C 176.605 . 1 1070 126 126 SER CA C 55.752 . 1 1071 126 126 SER CB C 66.362 . 1 1072 126 126 SER N N 115.683 . 1 1073 127 127 ARG H H 8.726 . 1 1074 127 127 ARG HA H 4.290 . 1 1075 127 127 ARG HB2 H 2.145 . 2 1076 127 127 ARG HB3 H 1.581 . 2 1077 127 127 ARG HD2 H 3.137 . 2 1078 127 127 ARG HG2 H 0.894 . 2 1079 127 127 ARG C C 177.229 . 1 1080 127 127 ARG CA C 56.734 . 1 1081 127 127 ARG CB C 30.502 . 1 1082 127 127 ARG CD C 41.112 . 1 1083 127 127 ARG CG C 28.917 . 1 1084 127 127 ARG N N 126.039 . 1 1085 128 128 ALA H H 8.283 . 1 1086 128 128 ALA HA H 4.814 . 1 1087 128 128 ALA HB H 1.551 . 1 1088 128 128 ALA C C 177.237 . 1 1089 128 128 ALA CA C 50.302 . 1 1090 128 128 ALA CB C 21.414 . 1 1091 128 128 ALA N N 121.111 . 1 1092 129 129 GLN H H 8.502 . 1 1093 129 129 GLN HA H 3.360 . 1 1094 129 129 GLN HB2 H 1.531 . 2 1095 129 129 GLN HB3 H 1.531 . 2 1096 129 129 GLN HG2 H 1.400 . 2 1097 129 129 GLN HG3 H 1.437 . 2 1098 129 129 GLN C C 174.603 . 1 1099 129 129 GLN CA C 57.790 . 1 1100 129 129 GLN CB C 28.997 . 1 1101 129 129 GLN CG C 33.641 . 1 1102 129 129 GLN N N 119.018 . 1 1103 130 130 LEU H H 7.052 . 1 1104 130 130 LEU HA H 4.390 . 1 1105 130 130 LEU HB2 H 1.489 . 2 1106 130 130 LEU HB3 H 1.489 . 2 1107 130 130 LEU HD1 H 0.864 . 2 1108 130 130 LEU HD2 H 0.806 . 2 1109 130 130 LEU HG H 1.424 . 1 1110 130 130 LEU C C 176.000 . 1 1111 130 130 LEU CA C 53.556 . 1 1112 130 130 LEU CB C 42.362 . 1 1113 130 130 LEU CD1 C 24.391 . 2 1114 130 130 LEU CD2 C 24.391 . 2 1115 130 130 LEU CG C 27.115 . 1 1116 130 130 LEU N N 117.056 . 1 1117 131 131 LEU H H 8.442 . 1 1118 131 131 LEU HA H 4.442 . 1 1119 131 131 LEU HB2 H 1.513 . 2 1120 131 131 LEU HB3 H 1.513 . 2 1121 131 131 LEU HD1 H 0.942 . 2 1122 131 131 LEU HD2 H 0.853 . 2 1123 131 131 LEU HG H 1.707 . 1 1124 131 131 LEU C C 176.824 . 1 1125 131 131 LEU CA C 53.941 . 1 1126 131 131 LEU CB C 43.418 . 1 1127 131 131 LEU CD1 C 25.663 . 2 1128 131 131 LEU CD2 C 25.663 . 2 1129 131 131 LEU CG C 26.755 . 1 1130 131 131 LEU N N 126.097 . 1 1131 132 132 LYS H H 8.332 . 1 1132 132 132 LYS HA H 4.314 . 1 1133 132 132 LYS HB2 H 2.126 . 2 1134 132 132 LYS HB3 H 1.761 . 2 1135 132 132 LYS HD2 H 1.779 . 2 1136 132 132 LYS HD3 H 1.779 . 2 1137 132 132 LYS HE2 H 3.025 . 2 1138 132 132 LYS HE3 H 3.025 . 2 1139 132 132 LYS HG2 H 1.580 . 2 1140 132 132 LYS HG3 H 1.580 . 2 1141 132 132 LYS C C 177.967 . 1 1142 132 132 LYS CA C 56.437 . 1 1143 132 132 LYS CB C 33.247 . 1 1144 132 132 LYS CD C 29.328 . 1 1145 132 132 LYS CE C 41.828 . 1 1146 132 132 LYS CG C 25.555 . 1 1147 132 132 LYS N N 125.616 . 1 1148 133 133 GLU H H 8.970 . 1 1149 133 133 GLU HA H 3.774 . 1 1150 133 133 GLU HB2 H 2.066 . 2 1151 133 133 GLU HB3 H 2.066 . 2 1152 133 133 GLU HG2 H 2.367 . 2 1153 133 133 GLU HG3 H 2.367 . 2 1154 133 133 GLU C C 178.994 . 1 1155 133 133 GLU CA C 60.024 . 1 1156 133 133 GLU CB C 29.207 . 1 1157 133 133 GLU CG C 35.994 . 1 1158 133 133 GLU N N 124.912 . 1 1159 134 134 GLU H H 9.423 . 1 1160 134 134 GLU HA H 4.132 . 1 1161 134 134 GLU HB2 H 2.213 . 2 1162 134 134 GLU HB3 H 2.017 . 2 1163 134 134 GLU HG2 H 2.341 . 2 1164 134 134 GLU HG3 H 2.577 . 2 1165 134 134 GLU C C 178.773 . 1 1166 134 134 GLU CA C 59.619 . 1 1167 134 134 GLU CB C 29.232 . 1 1168 134 134 GLU CG C 36.575 . 1 1169 134 134 GLU N N 117.050 . 1 1170 135 135 LEU H H 7.133 . 1 1171 135 135 LEU HA H 4.200 . 1 1172 135 135 LEU HB2 H 1.863 . 2 1173 135 135 LEU HB3 H 1.863 . 2 1174 135 135 LEU HD1 H 0.940 . 2 1175 135 135 LEU HD2 H 0.888 . 2 1176 135 135 LEU HG H 1.671 . 1 1177 135 135 LEU C C 178.643 . 1 1178 135 135 LEU CA C 56.883 . 1 1179 135 135 LEU CB C 41.891 . 1 1180 135 135 LEU CD1 C 24.697 . 2 1181 135 135 LEU CD2 C 24.697 . 2 1182 135 135 LEU CG C 27.573 . 1 1183 135 135 LEU N N 119.118 . 1 1184 136 136 LYS H H 7.494 . 1 1185 136 136 LYS HA H 3.901 . 1 1186 136 136 LYS HB2 H 1.795 . 2 1187 136 136 LYS HB3 H 1.557 . 2 1188 136 136 LYS HD2 H 1.243 . 2 1189 136 136 LYS HD3 H 1.243 . 2 1190 136 136 LYS HE2 H 2.324 . 2 1191 136 136 LYS HE3 H 2.147 . 2 1192 136 136 LYS HG2 H 1.093 . 2 1193 136 136 LYS HG3 H 0.398 . 2 1194 136 136 LYS C C 178.497 . 1 1195 136 136 LYS CA C 60.867 . 1 1196 136 136 LYS CB C 31.693 . 1 1197 136 136 LYS CD C 29.037 . 1 1198 136 136 LYS CE C 41.365 . 1 1199 136 136 LYS CG C 25.413 . 1 1200 136 136 LYS N N 119.456 . 1 1201 137 137 GLU H H 7.934 . 1 1202 137 137 GLU HA H 4.061 . 1 1203 137 137 GLU HB2 H 2.123 . 2 1204 137 137 GLU HB3 H 2.123 . 2 1205 137 137 GLU HG2 H 2.390 . 2 1206 137 137 GLU HG3 H 2.390 . 2 1207 137 137 GLU C C 179.649 . 1 1208 137 137 GLU CA C 59.591 . 1 1209 137 137 GLU CB C 29.323 . 1 1210 137 137 GLU CG C 36.039 . 1 1211 137 137 GLU N N 116.604 . 1 1212 138 138 LYS H H 7.851 . 1 1213 138 138 LYS HA H 4.197 . 1 1214 138 138 LYS HB2 H 2.153 . 2 1215 138 138 LYS HD2 H 1.623 . 2 1216 138 138 LYS HD3 H 1.623 . 2 1217 138 138 LYS HE2 H 2.839 . 2 1218 138 138 LYS HE3 H 2.839 . 2 1219 138 138 LYS HG2 H 1.858 . 2 1220 138 138 LYS HG3 H 1.657 . 2 1221 138 138 LYS C C 179.422 . 1 1222 138 138 LYS CA C 59.735 . 1 1223 138 138 LYS CB C 33.057 . 1 1224 138 138 LYS CD C 29.112 . 1 1225 138 138 LYS CE C 41.338 . 1 1226 138 138 LYS CG C 25.599 . 1 1227 138 138 LYS N N 118.805 . 1 1228 139 139 PHE H H 8.707 . 1 1229 139 139 PHE HA H 3.850 . 1 1230 139 139 PHE HB2 H 3.256 . 2 1231 139 139 PHE HB3 H 3.256 . 2 1232 139 139 PHE HD1 H 7.314 . 3 1233 139 139 PHE C C 178.031 . 1 1234 139 139 PHE CA C 60.816 . 1 1235 139 139 PHE CB C 39.456 . 1 1236 139 139 PHE N N 121.593 . 1 1237 140 140 ILE H H 8.528 . 1 1238 140 140 ILE HA H 3.471 . 1 1239 140 140 ILE HB H 2.119 . 1 1240 140 140 ILE HD1 H 1.074 . 1 1241 140 140 ILE HG12 H 2.254 . 2 1242 140 140 ILE HG13 H 1.155 . 2 1243 140 140 ILE HG2 H 0.884 . 1 1244 140 140 ILE C C 177.496 . 1 1245 140 140 ILE CA C 66.424 . 1 1246 140 140 ILE CB C 37.974 . 1 1247 140 140 ILE CD1 C 14.016 . 1 1248 140 140 ILE CG1 C 29.951 . 1 1249 140 140 ILE CG2 C 17.284 . 1 1250 140 140 ILE N N 124.546 . 1 1251 141 141 THR H H 8.013 . 1 1252 141 141 THR HA H 3.704 . 1 1253 141 141 THR HB H 4.241 . 1 1254 141 141 THR HG2 H 1.260 . 1 1255 141 141 THR C C 175.440 . 1 1256 141 141 THR CA C 67.113 . 1 1257 141 141 THR CB C 68.645 . 1 1258 141 141 THR CG2 C 22.136 . 1 1259 141 141 THR N N 116.722 . 1 1260 142 142 PHE H H 8.130 . 1 1261 142 142 PHE HA H 4.220 . 1 1262 142 142 PHE HB2 H 3.160 . 2 1263 142 142 PHE HB3 H 2.475 . 2 1264 142 142 PHE HD1 H 7.012 . 3 1265 142 142 PHE C C 176.751 . 1 1266 142 142 PHE CA C 60.845 . 1 1267 142 142 PHE CB C 39.563 . 1 1268 142 142 PHE N N 121.591 . 1 1269 143 143 SER H H 8.019 . 1 1270 143 143 SER HA H 3.113 . 1 1271 143 143 SER HB2 H 3.530 . 2 1272 143 143 SER HB3 H 2.907 . 2 1273 143 143 SER HG H 5.584 . 1 1274 143 143 SER C C 176.378 . 1 1275 143 143 SER CA C 63.875 . 1 1276 143 143 SER CB C 62.176 . 1 1277 143 143 SER N N 115.783 . 1 1278 144 144 LYS H H 8.031 . 1 1279 144 144 LYS HA H 4.415 . 1 1280 144 144 LYS HB2 H 1.812 . 2 1281 144 144 LYS HB3 H 1.812 . 2 1282 144 144 LYS HD2 H 1.599 . 2 1283 144 144 LYS HD3 H 1.599 . 2 1284 144 144 LYS HE2 H 2.886 . 2 1285 144 144 LYS HE3 H 2.886 . 2 1286 144 144 LYS HG2 H 1.289 . 2 1287 144 144 LYS HG3 H 1.289 . 2 1288 144 144 LYS HZ H 8.028 . 1 1289 144 144 LYS C C 181.348 . 1 1290 144 144 LYS CA C 58.934 . 1 1291 144 144 LYS CB C 31.674 . 1 1292 144 144 LYS CD C 29.584 . 1 1293 144 144 LYS CE C 41.681 . 1 1294 144 144 LYS CG C 25.447 . 1 1295 144 144 LYS N N 122.633 . 1 1296 145 145 ASP H H 8.342 . 1 1297 145 145 ASP HA H 4.325 . 1 1298 145 145 ASP HB2 H 2.753 . 2 1299 145 145 ASP HB3 H 2.424 . 2 1300 145 145 ASP C C 177.681 . 1 1301 145 145 ASP CA C 56.755 . 1 1302 145 145 ASP CB C 39.786 . 1 1303 145 145 ASP N N 123.003 . 1 1304 146 146 GLN H H 7.164 . 1 1305 146 146 GLN HA H 4.004 . 1 1306 146 146 GLN HB2 H 1.443 . 2 1307 146 146 GLN HB3 H 1.443 . 2 1308 146 146 GLN HE21 H 7.127 . 2 1309 146 146 GLN HE22 H 6.946 . 2 1310 146 146 GLN HG2 H 1.639 . 2 1311 146 146 GLN HG3 H 1.639 . 2 1312 146 146 GLN C C 176.311 . 1 1313 146 146 GLN CA C 53.437 . 1 1314 146 146 GLN CB C 27.156 . 1 1315 146 146 GLN CG C 31.459 . 1 1316 146 146 GLN N N 115.224 . 1 1317 147 147 GLY H H 7.757 . 1 1318 147 147 GLY HA2 H 4.101 . 2 1319 147 147 GLY HA3 H 3.670 . 2 1320 147 147 GLY C C 174.242 . 1 1321 147 147 GLY CA C 45.428 . 1 1322 147 147 GLY N N 106.504 . 1 1323 148 148 LEU H H 7.610 . 1 1324 148 148 LEU HA H 4.607 . 1 1325 148 148 LEU HB2 H 1.412 . 2 1326 148 148 LEU HB3 H 1.412 . 2 1327 148 148 LEU HD1 H 0.706 . 2 1328 148 148 LEU HD2 H 0.746 . 2 1329 148 148 LEU HG H 1.387 . 1 1330 148 148 LEU C C 175.231 . 1 1331 148 148 LEU CA C 53.300 . 1 1332 148 148 LEU CB C 41.384 . 1 1333 148 148 LEU CD1 C 25.577 . 2 1334 148 148 LEU CD2 C 23.987 . 2 1335 148 148 LEU CG C 27.491 . 1 1336 148 148 LEU N N 121.712 . 1 1337 149 149 THR H H 9.005 . 1 1338 149 149 THR HA H 4.628 . 1 1339 149 149 THR HB H 4.465 . 1 1340 149 149 THR HG2 H 1.196 . 1 1341 149 149 THR C C 175.694 . 1 1342 149 149 THR CA C 60.181 . 1 1343 149 149 THR CB C 71.944 . 1 1344 149 149 THR CG2 C 21.451 . 1 1345 149 149 THR N N 110.889 . 1 1346 150 150 GLU H H 9.205 . 1 1347 150 150 GLU HA H 3.843 . 1 1348 150 150 GLU HB2 H 2.354 . 2 1349 150 150 GLU HB3 H 2.049 . 2 1350 150 150 GLU HG2 H 2.274 . 2 1351 150 150 GLU HG3 H 2.374 . 2 1352 150 150 GLU C C 178.486 . 1 1353 150 150 GLU CA C 60.412 . 1 1354 150 150 GLU CB C 29.278 . 1 1355 150 150 GLU CG C 37.618 . 1 1356 150 150 GLU N N 119.082 . 1 1357 151 151 GLU H H 8.202 . 1 1358 151 151 GLU HA H 4.187 . 1 1359 151 151 GLU HB2 H 2.364 . 2 1360 151 151 GLU HB3 H 2.364 . 2 1361 151 151 GLU HG2 H 2.298 . 2 1362 151 151 GLU HG3 H 2.381 . 2 1363 151 151 GLU C C 176.620 . 1 1364 151 151 GLU CA C 58.313 . 1 1365 151 151 GLU CB C 29.301 . 1 1366 151 151 GLU CG C 36.826 . 1 1367 151 151 GLU N N 116.650 . 1 1368 152 152 ASP H H 7.774 . 1 1369 152 152 ASP HA H 4.854 . 1 1370 152 152 ASP HB2 H 3.115 . 2 1371 152 152 ASP HB3 H 3.196 . 2 1372 152 152 ASP C C 174.087 . 1 1373 152 152 ASP CA C 54.775 . 1 1374 152 152 ASP CB C 42.593 . 1 1375 152 152 ASP N N 118.425 . 1 1376 153 153 ILE H H 6.958 . 1 1377 153 153 ILE HA H 4.413 . 1 1378 153 153 ILE HB H 1.752 . 1 1379 153 153 ILE HD1 H 0.727 . 1 1380 153 153 ILE HG12 H 0.671 . 2 1381 153 153 ILE HG2 H 0.450 . 1 1382 153 153 ILE C C 175.964 . 1 1383 153 153 ILE CA C 61.429 . 1 1384 153 153 ILE CB C 39.945 . 1 1385 153 153 ILE CD1 C 16.629 . 1 1386 153 153 ILE CG1 C 26.765 . 1 1387 153 153 ILE CG2 C 17.362 . 1 1388 153 153 ILE N N 117.495 . 1 1389 154 154 VAL H H 9.288 . 1 1390 154 154 VAL HA H 4.490 . 1 1391 154 154 VAL HB H 1.996 . 1 1392 154 154 VAL HG1 H 0.948 . 2 1393 154 154 VAL C C 173.730 . 1 1394 154 154 VAL CA C 60.448 . 1 1395 154 154 VAL CB C 36.057 . 1 1396 154 154 VAL CG1 C 21.407 . 2 1397 154 154 VAL CG2 C 21.407 . 2 1398 154 154 VAL N N 126.394 . 1 1399 155 155 PHE H H 8.813 . 1 1400 155 155 PHE HA H 5.006 . 1 1401 155 155 PHE HB2 H 3.195 . 2 1402 155 155 PHE HB3 H 2.923 . 2 1403 155 155 PHE HD1 H 7.333 . 3 1404 155 155 PHE C C 176.050 . 1 1405 155 155 PHE CA C 58.487 . 1 1406 155 155 PHE CB C 38.640 . 1 1407 155 155 PHE N N 124.968 . 1 1408 156 156 LEU H H 7.596 . 1 1409 156 156 LEU HA H 4.481 . 1 1410 156 156 LEU HB2 H 1.673 . 2 1411 156 156 LEU HB3 H 1.393 . 2 1412 156 156 LEU HD1 H 0.848 . 2 1413 156 156 LEU HD2 H 0.721 . 2 1414 156 156 LEU HG H 1.522 . 1 1415 156 156 LEU CA C 52.861 . 1 1416 156 156 LEU CB C 41.956 . 1 1417 156 156 LEU N N 124.977 . 1 1418 157 157 PRO HA H 3.497 . 1 1419 157 157 PRO HB2 H 1.245 . 2 1420 157 157 PRO HB3 H 1.414 . 2 1421 157 157 PRO HD2 H 2.955 . 2 1422 157 157 PRO HD3 H 2.955 . 2 1423 157 157 PRO HG2 H 1.453 . 2 1424 157 157 PRO HG3 H 1.189 . 2 1425 157 157 PRO C C 177.281 . 1 1426 157 157 PRO CA C 59.851 . 1 1427 157 157 PRO CB C 31.798 . 1 1428 157 157 PRO CD C 49.380 . 1 1429 157 157 PRO CG C 29.953 . 1 1430 158 158 GLN H H 8.491 . 1 1431 158 158 GLN HA H 4.130 . 1 1432 158 158 GLN HB2 H 2.071 . 2 1433 158 158 GLN HB3 H 2.071 . 2 1434 158 158 GLN HG2 H 2.225 . 2 1435 158 158 GLN HG3 H 2.362 . 2 1436 158 158 GLN CA C 57.859 . 1 1437 158 158 GLN CB C 29.117 . 1 1438 158 158 GLN CG C 36.526 . 1 1439 158 158 GLN N N 116.754 . 1 1440 159 159 PRO HA H 4.585 . 1 1441 159 159 PRO C C 175.835 . 1 1442 159 159 PRO CA C 62.341 . 1 1443 159 159 PRO CB C 33.140 . 1 1444 159 159 PRO CG C 26.681 . 1 1445 160 160 ASP H H 8.324 . 1 1446 160 160 ASP HA H 4.424 . 1 1447 160 160 ASP HB2 H 2.666 . 2 1448 160 160 ASP HB3 H 2.666 . 2 1449 160 160 ASP C C 174.998 . 1 1450 160 160 ASP CA C 54.556 . 1 1451 160 160 ASP CB C 40.744 . 1 1452 160 160 ASP N N 117.910 . 1 1453 161 161 LYS H H 7.306 . 1 1454 161 161 LYS HA H 4.464 . 1 1455 161 161 LYS HB2 H 1.904 . 2 1456 161 161 LYS HB3 H 1.904 . 2 1457 161 161 LYS HD2 H 2.167 . 2 1458 161 161 LYS HD3 H 2.167 . 2 1459 161 161 LYS HG2 H 1.362 . 2 1460 161 161 LYS HG3 H 1.362 . 2 1461 161 161 LYS C C 175.603 . 1 1462 161 161 LYS CA C 55.627 . 1 1463 161 161 LYS CB C 30.135 . 1 1464 161 161 LYS N N 115.212 . 1 1465 162 162 CYS H H 8.204 . 1 1466 162 162 CYS HA H 4.258 . 1 1467 162 162 CYS C C 175.417 . 1 1468 162 162 CYS CA C 56.980 . 1 1469 162 162 CYS CB C 35.302 . 1 1470 162 162 CYS N N 117.138 . 1 1471 163 163 ILE H H 7.825 . 1 1472 163 163 ILE HA H 4.410 . 1 1473 163 163 ILE HB H 1.980 . 1 1474 163 163 ILE HD1 H 0.854 . 1 1475 163 163 ILE HG12 H 1.431 . 2 1476 163 163 ILE HG13 H 1.145 . 2 1477 163 163 ILE HG2 H 0.914 . 1 1478 163 163 ILE C C 175.379 . 1 1479 163 163 ILE CA C 60.519 . 1 1480 163 163 ILE CB C 39.290 . 1 1481 163 163 ILE CD1 C 13.760 . 1 1482 163 163 ILE CG1 C 27.260 . 1 1483 163 163 ILE CG2 C 17.924 . 1 1484 163 163 ILE N N 116.852 . 1 1485 164 164 GLN H H 8.427 . 1 1486 164 164 GLN HA H 4.317 . 1 1487 164 164 GLN HB2 H 2.028 . 2 1488 164 164 GLN HB3 H 2.028 . 2 1489 164 164 GLN HG2 H 2.346 . 2 1490 164 164 GLN HG3 H 2.346 . 2 1491 164 164 GLN C C 176.016 . 1 1492 164 164 GLN CA C 56.416 . 1 1493 164 164 GLN CB C 29.429 . 1 1494 164 164 GLN CG C 33.938 . 1 1495 164 164 GLN N N 123.730 . 1 1496 165 165 GLU H H 8.622 . 1 1497 165 165 GLU N N 124.109 . 1 stop_ save_