data_18039 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure ensemble of the two N-terminal apple domains (residues 58-231) of Toxoplasma gondii microneme protein 4 ; _BMRB_accession_number 18039 _BMRB_flat_file_name bmr18039.str _Entry_type original _Submission_date 2011-11-01 _Accession_date 2011-11-01 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Marchant J. . . 2 Cowper B. . . 3 Liu Y. . . 4 Lai L. . . 5 Pinzan C. . . 6 Marq J. B. . 7 Friedrich N. . . 8 Sawmynaden K. . . 9 Chai W. . . 10 Childs R. A. . 11 Saouros S. . . 12 Simpson P. . . 13 Barreira M. C.R. . 14 Feizi T. . . 15 Soldati-favre D. . . 16 Matthews Stephen J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 850 "13C chemical shifts" 641 "15N chemical shifts" 161 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-15 update BMRB 'update entry citation' 2012-03-09 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Galactose recognition by the apicomplexan parasite Toxoplasma gondii.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22399295 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Marchant Jan . . 2 Cowper Ben . . 3 Liu Yan . . 4 Lai Livia . . 5 Pinzan Camila . . 6 Marq 'Jean Baptiste' . . 7 Friedrich Nikolas . . 8 Sawmynaden Kovilen . . 9 Liew Lloyd . . 10 Chai Wengang . . 11 Childs Robert A. . 12 Saouros Savvas . . 13 Simpson Peter . . 14 'Roque Barreira' 'Maria Cristina' . . 15 Feizi Ten . . 16 Soldati-Favre Dominique . . 17 Matthews Stephen . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 287 _Journal_issue 20 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 16720 _Page_last 16733 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Solution structure ensemble of the two N-terminal apple domains (residues 58-231) of Toxoplasma gondii microneme protein 4' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MICRONEMAL PROTEIN 4' $MICRONEMAL_PROTEIN_4 stop_ _System_molecular_weight 17154.4701 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all disulfide bound' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MICRONEMAL_PROTEIN_4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MICRONEMAL_PROTEIN_4 _Molecular_mass 17154.4701 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 161 _Mol_residue_sequence ; SSEPAKLDLSCVHSDNKGSR APTIGEPVPDVSLEQCAAQC KAVDGCTHFTYNDDSKMCHV KEGKPDLYDLTGGKTASRSC DRSCFEQHVSYEGAPDVMTA MVTSQSADCQAACAADPSCE IFTYNEHDQKCTFKGRGFSA FKERGVLGVTSGPKQFCDEG G ; loop_ _Residue_seq_code _Residue_label 1 SER 2 SER 3 GLU 4 PRO 5 ALA 6 LYS 7 LEU 8 ASP 9 LEU 10 SER 11 CYS 12 VAL 13 HIS 14 SER 15 ASP 16 ASN 17 LYS 18 GLY 19 SER 20 ARG 21 ALA 22 PRO 23 THR 24 ILE 25 GLY 26 GLU 27 PRO 28 VAL 29 PRO 30 ASP 31 VAL 32 SER 33 LEU 34 GLU 35 GLN 36 CYS 37 ALA 38 ALA 39 GLN 40 CYS 41 LYS 42 ALA 43 VAL 44 ASP 45 GLY 46 CYS 47 THR 48 HIS 49 PHE 50 THR 51 TYR 52 ASN 53 ASP 54 ASP 55 SER 56 LYS 57 MET 58 CYS 59 HIS 60 VAL 61 LYS 62 GLU 63 GLY 64 LYS 65 PRO 66 ASP 67 LEU 68 TYR 69 ASP 70 LEU 71 THR 72 GLY 73 GLY 74 LYS 75 THR 76 ALA 77 SER 78 ARG 79 SER 80 CYS 81 ASP 82 ARG 83 SER 84 CYS 85 PHE 86 GLU 87 GLN 88 HIS 89 VAL 90 SER 91 TYR 92 GLU 93 GLY 94 ALA 95 PRO 96 ASP 97 VAL 98 MET 99 THR 100 ALA 101 MET 102 VAL 103 THR 104 SER 105 GLN 106 SER 107 ALA 108 ASP 109 CYS 110 GLN 111 ALA 112 ALA 113 CYS 114 ALA 115 ALA 116 ASP 117 PRO 118 SER 119 CYS 120 GLU 121 ILE 122 PHE 123 THR 124 TYR 125 ASN 126 GLU 127 HIS 128 ASP 129 GLN 130 LYS 131 CYS 132 THR 133 PHE 134 LYS 135 GLY 136 ARG 137 GLY 138 PHE 139 SER 140 ALA 141 PHE 142 LYS 143 GLU 144 ARG 145 GLY 146 VAL 147 LEU 148 GLY 149 VAL 150 THR 151 SER 152 GLY 153 PRO 154 LYS 155 GLN 156 PHE 157 CYS 158 ASP 159 GLU 160 GLY 161 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2013-11-04 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 BMRB 15694 MIC4_Ap12 100.00 174 100.00 100.00 2.96e-114 PDB 4A5V "Solution Structure Ensemble Of The Two N-Terminal Apple Domains (Residues 58-231) Of Toxoplasma Gondii Microneme Protein 4" 100.00 161 100.00 100.00 6.30e-114 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $MICRONEMAL_PROTEIN_4 'Toxoplasma gondii' 5811 Eukaryota . Toxoplasma gondii RH 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 $MICRONEMAL_PROTEIN_4 'recombinant technology' 'Escherichia coli' Escherichia coli BL21 'pET32 Xa/LIC' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '300 uM' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MICRONEMAL_PROTEIN_4 0.3 mM '[U-13C; U-15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '300 uM' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MICRONEMAL_PROTEIN_4 0.3 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version any loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version any loop_ _Vendor _Address _Electronic_address BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU,READ,RICE,SIMONSON,WARREN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version any loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version any loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_DRX-500.2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500.20 _Details . save_ save_Varian_UnityInova-800.23 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityInova _Field_strength 800.23 _Details . save_ ############################# # NMR applied experiments # ############################# save_CBCA(CO)NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $sample_1 save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $sample_1 save_ save_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label $sample_1 save_ save_(H)CC(CO)NH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CC(CO)NH-TOCSY _Sample_label $sample_1 save_ save_H(C)CH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name H(C)CH-TOCSY _Sample_label $sample_1 save_ save_(H)CCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CCH-TOCSY _Sample_label $sample_1 save_ save_C-NOESY-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name C-NOESY-HSQC _Sample_label $sample_1 save_ save_N-NOESY-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name N-NOESY-HSQC _Sample_label $sample_1 save_ save_C-NOESY-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name C-NOESY-HSQC _Sample_label $sample_2 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'pH [6.5], temp [303], pressure [1], ionStrength [100.0]' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100.000 . mM pH 6.500 . pH pressure 1.000 . atm temperature 303.000 . 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 H 1 'methyl protons' ppm 0.0 external indirect cylindrical 'separate NMR sample tube similar to the experimental one' Parallel 1 TSP C 13 'methyl protons' ppm 0.0 external indirect cylindrical 'separate NMR sample tube similar to the experimental one' Parallel 0.25144953 TSP N 15 'methyl protons' ppm 0.0 external indirect cylindrical 'separate NMR sample tube similar to the experimental one' Parallel 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 _Saveframe_category assigned_chemical_shifts _Details 'Origin nmrStar file /ebi/msd/pdb_root/Processing/prepare/4a5v/ebi/new_1.str.csh' loop_ _Experiment_label CBCA(CO)NH HNCACB HNCO HN(CA)CO (H)CC(CO)NH-TOCSY H(C)CH-TOCSY (H)CCH-TOCSY C-NOESY-HSQC N-NOESY-HSQC stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'MICRONEMAL PROTEIN 4' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 SER H H 8.331 . 1 2 2 2 SER HA H 4.468 . 1 3 2 2 SER HB2 H 3.844 . 1 4 2 2 SER HB3 H 3.844 . 1 5 2 2 SER CA C 58.203 . 1 6 2 2 SER CB C 63.874 . 1 7 2 2 SER N N 118.730 . 1 8 3 3 GLU H H 8.153 . 1 9 3 3 GLU HA H 4.579 . 1 10 3 3 GLU HB2 H 1.832 . 2 11 3 3 GLU HB3 H 1.992 . 2 12 3 3 GLU HG2 H 2.242 . 1 13 3 3 GLU HG3 H 2.242 . 1 14 3 3 GLU C C 174.470 . 1 15 3 3 GLU CA C 54.138 . 1 16 3 3 GLU CB C 29.777 . 1 17 3 3 GLU CG C 35.957 . 1 18 3 3 GLU N N 122.020 . 1 19 4 4 PRO HA H 4.654 . 1 20 4 4 PRO HB2 H 2.090 . 2 21 4 4 PRO HB3 H 2.342 . 2 22 4 4 PRO HG2 H 1.785 . 2 23 4 4 PRO HG3 H 1.877 . 2 24 4 4 PRO HD2 H 3.453 . 2 25 4 4 PRO HD3 H 3.513 . 2 26 4 4 PRO C C 175.860 . 1 27 4 4 PRO CA C 62.529 . 1 28 4 4 PRO CB C 34.237 . 1 29 4 4 PRO CG C 24.798 . 1 30 4 4 PRO CD C 50.060 . 1 31 5 5 ALA H H 8.493 . 1 32 5 5 ALA HA H 4.206 . 1 33 5 5 ALA HB H 1.300 . 1 34 5 5 ALA C C 177.510 . 1 35 5 5 ALA CA C 52.527 . 1 36 5 5 ALA CB C 19.161 . 1 37 5 5 ALA N N 125.270 . 1 38 6 6 LYS H H 8.245 . 1 39 6 6 LYS HA H 4.274 . 1 40 6 6 LYS HB2 H 1.757 . 1 41 6 6 LYS HB3 H 1.757 . 1 42 6 6 LYS HG2 H 1.360 . 2 43 6 6 LYS HG3 H 1.370 . 2 44 6 6 LYS HD2 H 1.624 . 1 45 6 6 LYS HD3 H 1.624 . 1 46 6 6 LYS HE2 H 2.945 . 2 47 6 6 LYS HE3 H 2.928 . 2 48 6 6 LYS C C 176.430 . 1 49 6 6 LYS CA C 55.960 . 1 50 6 6 LYS CB C 33.075 . 1 51 6 6 LYS CG C 24.671 . 1 52 6 6 LYS CD C 28.962 . 1 53 6 6 LYS CE C 42.193 . 1 54 6 6 LYS N N 121.060 . 1 55 7 7 LEU H H 8.211 . 1 56 7 7 LEU HA H 4.225 . 1 57 7 7 LEU HB2 H 1.264 . 2 58 7 7 LEU HB3 H 1.450 . 2 59 7 7 LEU HG H 1.522 . 1 60 7 7 LEU HD1 H 0.763 . 2 61 7 7 LEU HD2 H 0.774 . 2 62 7 7 LEU C C 176.040 . 1 63 7 7 LEU CA C 54.587 . 1 64 7 7 LEU CB C 42.936 . 1 65 7 7 LEU CG C 27.001 . 1 66 7 7 LEU CD1 C 25.209 . 1 67 7 7 LEU CD2 C 23.866 . 1 68 7 7 LEU N N 123.940 . 1 69 8 8 ASP H H 8.454 . 1 70 8 8 ASP HA H 4.414 . 1 71 8 8 ASP HB2 H 2.522 . 2 72 8 8 ASP HB3 H 2.650 . 2 73 8 8 ASP C C 175.510 . 1 74 8 8 ASP CA C 53.474 . 1 75 8 8 ASP CB C 40.447 . 1 76 8 8 ASP N N 122.810 . 1 77 9 9 LEU H H 8.499 . 1 78 9 9 LEU HA H 4.741 . 1 79 9 9 LEU HB2 H 1.478 . 2 80 9 9 LEU HB3 H 1.802 . 2 81 9 9 LEU HG H 1.444 . 1 82 9 9 LEU HD1 H 0.768 . 2 83 9 9 LEU HD2 H 0.655 . 2 84 9 9 LEU C C 179.200 . 1 85 9 9 LEU CA C 53.390 . 1 86 9 9 LEU CB C 40.528 . 1 87 9 9 LEU CG C 26.314 . 1 88 9 9 LEU CD1 C 26.300 . 1 89 9 9 LEU CD2 C 22.771 . 1 90 9 9 LEU N N 127.830 . 1 91 10 10 SER H H 8.776 . 1 92 10 10 SER CA C 61.618 . 1 93 10 10 SER CB C 62.991 . 1 94 10 10 SER N N 117.420 . 1 95 11 11 CYS H H 8.710 . 1 96 11 11 CYS HA H 5.111 . 1 97 11 11 CYS HB2 H 2.935 . 2 98 11 11 CYS HB3 H 3.096 . 2 99 11 11 CYS C C 172.990 . 1 100 11 11 CYS CA C 58.122 . 1 101 11 11 CYS CB C 33.070 . 1 102 11 11 CYS N N 116.620 . 1 103 12 12 VAL H H 7.196 . 1 104 12 12 VAL HA H 3.973 . 1 105 12 12 VAL HB H 2.047 . 1 106 12 12 VAL HG1 H 1.027 . 2 107 12 12 VAL HG2 H 1.003 . 2 108 12 12 VAL C C 176.310 . 1 109 12 12 VAL CA C 61.825 . 1 110 12 12 VAL CB C 31.798 . 1 111 12 12 VAL CG1 C 23.419 . 1 112 12 12 VAL CG2 C 21.717 . 1 113 12 12 VAL N N 122.580 . 1 114 13 13 HIS H H 9.139 . 1 115 13 13 HIS HA H 4.353 . 1 116 13 13 HIS HB2 H 3.310 . 1 117 13 13 HIS HB3 H 3.310 . 1 118 13 13 HIS HD2 H 7.200 . 1 119 13 13 HIS C C 175.490 . 1 120 13 13 HIS CA C 58.168 . 1 121 13 13 HIS CB C 29.027 . 1 122 13 13 HIS CD2 C 119.420 . 1 123 13 13 HIS N N 124.890 . 1 124 14 14 SER HA H 4.759 . 1 125 14 14 SER HB2 H 3.794 . 2 126 14 14 SER HB3 H 4.138 . 2 127 14 14 SER C C 173.960 . 1 128 14 14 SER CA C 57.412 . 1 129 14 14 SER CB C 63.952 . 1 130 15 15 ASP H H 9.253 . 1 131 15 15 ASP HA H 4.726 . 1 132 15 15 ASP HB2 H 2.550 . 2 133 15 15 ASP HB3 H 3.032 . 2 134 15 15 ASP C C 175.260 . 1 135 15 15 ASP CA C 52.289 . 1 136 15 15 ASP CB C 38.290 . 1 137 15 15 ASP N N 120.450 . 1 138 16 16 ASN H H 8.787 . 1 139 16 16 ASN HA H 4.572 . 1 140 16 16 ASN HB2 H 2.635 . 2 141 16 16 ASN HB3 H 3.042 . 2 142 16 16 ASN HD21 H 7.786 . 1 143 16 16 ASN HD22 H 7.108 . 1 144 16 16 ASN C C 175.190 . 1 145 16 16 ASN CA C 55.334 . 1 146 16 16 ASN CB C 37.237 . 1 147 16 16 ASN N N 116.300 . 1 148 16 16 ASN ND2 N 116.900 . 1 149 17 17 LYS H H 7.580 . 1 150 17 17 LYS HA H 5.268 . 1 151 17 17 LYS HB2 H 0.999 . 2 152 17 17 LYS HB3 H 1.251 . 2 153 17 17 LYS HG2 H 1.077 . 2 154 17 17 LYS HG3 H 1.174 . 2 155 17 17 LYS HD2 H 1.140 . 2 156 17 17 LYS HD3 H 1.570 . 2 157 17 17 LYS HE2 H 2.815 . 1 158 17 17 LYS HE3 H 2.815 . 1 159 17 17 LYS C C 176.860 . 1 160 17 17 LYS CA C 52.600 . 1 161 17 17 LYS CB C 36.455 . 1 162 17 17 LYS CG C 24.224 . 1 163 17 17 LYS CD C 28.508 . 1 164 17 17 LYS CE C 42.495 . 1 165 17 17 LYS N N 116.500 . 1 166 18 18 GLY H H 8.469 . 1 167 18 18 GLY HA2 H 2.678 . 2 168 18 18 GLY HA3 H 4.006 . 2 169 18 18 GLY C C 170.860 . 1 170 18 18 GLY CA C 43.213 . 1 171 18 18 GLY N N 112.130 . 1 172 19 19 SER H H 7.082 . 1 173 19 19 SER HA H 5.529 . 1 174 19 19 SER HB2 H 3.428 . 2 175 19 19 SER HB3 H 3.692 . 2 176 19 19 SER C C 176.100 . 1 177 19 19 SER CA C 54.279 . 1 178 19 19 SER CB C 64.650 . 1 179 19 19 SER N N 109.110 . 1 180 20 20 ARG H H 9.689 . 1 181 20 20 ARG HA H 4.407 . 1 182 20 20 ARG HB2 H 1.812 . 1 183 20 20 ARG HB3 H 1.812 . 1 184 20 20 ARG HG2 H 1.392 . 2 185 20 20 ARG HG3 H 1.254 . 2 186 20 20 ARG HD2 H 2.826 . 1 187 20 20 ARG HD3 H 2.826 . 1 188 20 20 ARG C C 175.570 . 1 189 20 20 ARG CA C 55.417 . 1 190 20 20 ARG CB C 30.071 . 1 191 20 20 ARG CG C 28.157 . 1 192 20 20 ARG CD C 43.174 . 1 193 20 20 ARG N N 127.820 . 1 194 21 21 ALA H H 7.901 . 1 195 21 21 ALA HA H 4.456 . 1 196 21 21 ALA HB H 1.768 . 1 197 21 21 ALA C C 175.500 . 1 198 21 21 ALA CA C 51.892 . 1 199 21 21 ALA CB C 18.088 . 1 200 21 21 ALA N N 124.140 . 1 201 22 22 PRO HA H 4.360 . 1 202 22 22 PRO HB2 H 1.858 . 2 203 22 22 PRO HB3 H 2.241 . 2 204 22 22 PRO HG2 H 1.968 . 1 205 22 22 PRO HG3 H 1.968 . 1 206 22 22 PRO HD2 H 3.763 . 2 207 22 22 PRO HD3 H 3.612 . 2 208 22 22 PRO CA C 63.346 . 1 209 22 22 PRO CB C 32.275 . 1 210 22 22 PRO CG C 27.459 . 1 211 22 22 PRO CD C 50.627 . 1 212 23 23 THR H H 8.331 . 1 213 23 23 THR HA H 4.508 . 1 214 23 23 THR HB H 4.036 . 1 215 23 23 THR HG2 H 1.213 . 1 216 23 23 THR C C 174.200 . 1 217 23 23 THR CA C 62.517 . 1 218 23 23 THR CB C 70.255 . 1 219 23 23 THR CG2 C 23.420 . 1 220 23 23 THR N N 120.880 . 1 221 24 24 ILE H H 9.448 . 1 222 24 24 ILE HA H 3.928 . 1 223 24 24 ILE HB H 1.552 . 1 224 24 24 ILE HG12 H 0.841 . 1 225 24 24 ILE HG13 H 1.515 . 1 226 24 24 ILE HG2 H 0.740 . 1 227 24 24 ILE HD1 H 0.558 . 1 228 24 24 ILE C C 175.840 . 1 229 24 24 ILE CA C 61.388 . 1 230 24 24 ILE CB C 38.210 . 1 231 24 24 ILE CG1 C 27.090 . 1 232 24 24 ILE CG2 C 17.319 . 1 233 24 24 ILE CD1 C 13.987 . 1 234 24 24 ILE N N 130.650 . 1 235 25 25 GLY H H 8.500 . 1 236 25 25 GLY HA2 H 3.920 . 1 237 25 25 GLY HA3 H 3.920 . 1 238 25 25 GLY C C 173.000 . 1 239 25 25 GLY CA C 45.182 . 1 240 25 25 GLY N N 116.760 . 1 241 26 26 GLU H H 8.031 . 1 242 26 26 GLU HA H 4.632 . 1 243 26 26 GLU HB2 H 2.029 . 2 244 26 26 GLU HB3 H 2.034 . 2 245 26 26 GLU HG2 H 2.247 . 2 246 26 26 GLU HG3 H 2.242 . 2 247 26 26 GLU C C 175.170 . 1 248 26 26 GLU CA C 53.374 . 1 249 26 26 GLU CB C 29.550 . 1 250 26 26 GLU CG C 36.381 . 1 251 26 26 GLU N N 120.510 . 1 252 27 27 PRO HA H 4.370 . 1 253 27 27 PRO HB2 H 1.167 . 2 254 27 27 PRO HB3 H 1.406 . 2 255 27 27 PRO HG2 H 1.935 . 2 256 27 27 PRO HG3 H 2.036 . 2 257 27 27 PRO HD2 H 3.623 . 2 258 27 27 PRO HD3 H 3.780 . 2 259 27 27 PRO CA C 62.524 . 1 260 27 27 PRO CB C 31.797 . 1 261 27 27 PRO CG C 27.823 . 1 262 27 27 PRO CD C 49.991 . 1 263 28 28 VAL H H 8.891 . 1 264 28 28 VAL HA H 4.420 . 1 265 28 28 VAL HB H 1.803 . 1 266 28 28 VAL HG1 H 0.929 . 1 267 28 28 VAL HG2 H 0.929 . 1 268 28 28 VAL CA C 59.436 . 1 269 28 28 VAL CB C 34.222 . 1 270 28 28 VAL CG1 C 21.229 . 1 271 28 28 VAL CG2 C 21.229 . 1 272 28 28 VAL N N 125.510 . 1 273 29 29 PRO HA H 5.056 . 1 274 29 29 PRO HB2 H 1.916 . 2 275 29 29 PRO HB3 H 1.992 . 2 276 29 29 PRO HG2 H 1.942 . 1 277 29 29 PRO HG3 H 1.942 . 1 278 29 29 PRO HD2 H 3.816 . 2 279 29 29 PRO HD3 H 3.729 . 2 280 29 29 PRO C C 175.930 . 1 281 29 29 PRO CA C 62.184 . 1 282 29 29 PRO CB C 33.220 . 1 283 29 29 PRO CG C 25.921 . 1 284 29 29 PRO CD C 50.611 . 1 285 30 30 ASP H H 8.600 . 1 286 30 30 ASP HA H 4.232 . 1 287 30 30 ASP HB2 H 2.513 . 2 288 30 30 ASP HB3 H 2.890 . 2 289 30 30 ASP C C 175.500 . 1 290 30 30 ASP CA C 55.481 . 1 291 30 30 ASP CB C 39.541 . 1 292 30 30 ASP N N 115.720 . 1 293 31 31 VAL H H 7.912 . 1 294 31 31 VAL HA H 4.930 . 1 295 31 31 VAL HB H 2.262 . 1 296 31 31 VAL HG1 H 0.791 . 2 297 31 31 VAL HG2 H 0.730 . 2 298 31 31 VAL C C 175.910 . 1 299 31 31 VAL CA C 58.441 . 1 300 31 31 VAL CB C 36.225 . 1 301 31 31 VAL CG1 C 22.254 . 1 302 31 31 VAL CG2 C 18.176 . 1 303 31 31 VAL N N 108.860 . 1 304 32 32 SER H H 8.693 . 1 305 32 32 SER HA H 4.565 . 1 306 32 32 SER HB2 H 3.866 . 2 307 32 32 SER HB3 H 4.244 . 2 308 32 32 SER C C 174.260 . 1 309 32 32 SER CA C 56.234 . 1 310 32 32 SER CB C 66.501 . 1 311 32 32 SER N N 116.790 . 1 312 33 33 LEU H H 8.472 . 1 313 33 33 LEU HA H 2.530 . 1 314 33 33 LEU HB2 H 1.240 . 2 315 33 33 LEU HB3 H 1.481 . 2 316 33 33 LEU HG H 1.325 . 1 317 33 33 LEU HD1 H 0.959 . 2 318 33 33 LEU HD2 H 0.921 . 2 319 33 33 LEU C C 177.990 . 1 320 33 33 LEU CA C 58.246 . 1 321 33 33 LEU CB C 41.396 . 1 322 33 33 LEU CG C 27.307 . 1 323 33 33 LEU CD1 C 26.692 . 1 324 33 33 LEU CD2 C 24.224 . 1 325 33 33 LEU N N 123.340 . 1 326 34 34 GLU H H 8.716 . 1 327 34 34 GLU HA H 3.560 . 1 328 34 34 GLU HB2 H 1.788 . 2 329 34 34 GLU HB3 H 1.889 . 2 330 34 34 GLU HG2 H 2.101 . 2 331 34 34 GLU HG3 H 2.303 . 2 332 34 34 GLU C C 179.120 . 1 333 34 34 GLU CA C 60.351 . 1 334 34 34 GLU CB C 28.819 . 1 335 34 34 GLU CG C 37.144 . 1 336 34 34 GLU N N 116.820 . 1 337 35 35 GLN H H 7.616 . 1 338 35 35 GLN HA H 3.899 . 1 339 35 35 GLN HB2 H 1.798 . 2 340 35 35 GLN HB3 H 2.282 . 2 341 35 35 GLN HG2 H 2.282 . 1 342 35 35 GLN HG3 H 2.282 . 1 343 35 35 GLN HE21 H 7.511 . 1 344 35 35 GLN HE22 H 6.888 . 1 345 35 35 GLN C C 178.910 . 1 346 35 35 GLN CA C 58.077 . 1 347 35 35 GLN CB C 28.836 . 1 348 35 35 GLN CG C 35.000 . 1 349 35 35 GLN N N 118.390 . 1 350 35 35 GLN NE2 N 111.680 . 1 351 36 36 CYS H H 8.101 . 1 352 36 36 CYS HA H 4.340 . 1 353 36 36 CYS HB2 H 2.471 . 2 354 36 36 CYS HB3 H 2.704 . 2 355 36 36 CYS C C 174.470 . 1 356 36 36 CYS CA C 55.660 . 1 357 36 36 CYS CB C 34.684 . 1 358 36 36 CYS N N 121.250 . 1 359 37 37 ALA H H 7.540 . 1 360 37 37 ALA HA H 3.178 . 1 361 37 37 ALA HB H 1.181 . 1 362 37 37 ALA C C 181.040 . 1 363 37 37 ALA CA C 54.454 . 1 364 37 37 ALA CB C 18.342 . 1 365 37 37 ALA N N 120.950 . 1 366 38 38 ALA H H 7.762 . 1 367 38 38 ALA HA H 3.840 . 1 368 38 38 ALA HB H 1.352 . 1 369 38 38 ALA C C 180.080 . 1 370 38 38 ALA CA C 54.972 . 1 371 38 38 ALA CB C 17.765 . 1 372 38 38 ALA N N 120.250 . 1 373 39 39 GLN H H 8.003 . 1 374 39 39 GLN HA H 3.962 . 1 375 39 39 GLN HB2 H 2.165 . 2 376 39 39 GLN HB3 H 2.088 . 2 377 39 39 GLN HG2 H 2.256 . 2 378 39 39 GLN HG3 H 2.249 . 2 379 39 39 GLN HE21 H 7.068 . 1 380 39 39 GLN HE22 H 6.654 . 1 381 39 39 GLN C C 177.840 . 1 382 39 39 GLN CA C 58.195 . 1 383 39 39 GLN CB C 26.590 . 1 384 39 39 GLN CG C 32.985 . 1 385 39 39 GLN N N 120.700 . 1 386 39 39 GLN NE2 N 110.460 . 1 387 40 40 CYS H H 7.745 . 1 388 40 40 CYS HA H 4.187 . 1 389 40 40 CYS HB2 H 2.830 . 2 390 40 40 CYS HB3 H 3.214 . 2 391 40 40 CYS C C 175.570 . 1 392 40 40 CYS CA C 59.095 . 1 393 40 40 CYS CB C 41.105 . 1 394 40 40 CYS N N 115.450 . 1 395 41 41 LYS H H 7.322 . 1 396 41 41 LYS HA H 3.688 . 1 397 41 41 LYS HB2 H 1.826 . 2 398 41 41 LYS HB3 H 1.749 . 2 399 41 41 LYS HG2 H 1.337 . 2 400 41 41 LYS HG3 H 1.520 . 2 401 41 41 LYS HD2 H 1.569 . 2 402 41 41 LYS HD3 H 1.541 . 2 403 41 41 LYS HE2 H 2.977 . 1 404 41 41 LYS HE3 H 2.977 . 1 405 41 41 LYS C C 176.740 . 1 406 41 41 LYS CA C 58.831 . 1 407 41 41 LYS CB C 32.628 . 1 408 41 41 LYS CG C 26.102 . 1 409 41 41 LYS CD C 29.588 . 1 410 41 41 LYS CE C 42.104 . 1 411 41 41 LYS N N 114.830 . 1 412 42 42 ALA H H 7.352 . 1 413 42 42 ALA HA H 4.277 . 1 414 42 42 ALA HB H 1.412 . 1 415 42 42 ALA C C 177.230 . 1 416 42 42 ALA CA C 52.563 . 1 417 42 42 ALA CB C 19.665 . 1 418 42 42 ALA N N 118.900 . 1 419 43 43 VAL H H 7.637 . 1 420 43 43 VAL HA H 4.130 . 1 421 43 43 VAL HB H 2.063 . 1 422 43 43 VAL HG1 H 1.021 . 2 423 43 43 VAL HG2 H 0.863 . 2 424 43 43 VAL C C 175.960 . 1 425 43 43 VAL CA C 61.800 . 1 426 43 43 VAL CB C 33.180 . 1 427 43 43 VAL CG1 C 21.717 . 1 428 43 43 VAL CG2 C 21.592 . 1 429 43 43 VAL N N 122.350 . 1 430 44 44 ASP H H 8.691 . 1 431 44 44 ASP HA H 4.350 . 1 432 44 44 ASP HB2 H 2.568 . 2 433 44 44 ASP HB3 H 2.604 . 2 434 44 44 ASP C C 177.060 . 1 435 44 44 ASP CA C 56.586 . 1 436 44 44 ASP CB C 40.316 . 1 437 44 44 ASP N N 130.160 . 1 438 45 45 GLY H H 8.540 . 1 439 45 45 GLY HA2 H 3.842 . 2 440 45 45 GLY HA3 H 4.017 . 2 441 45 45 GLY C C 174.150 . 1 442 45 45 GLY CA C 44.626 . 1 443 45 45 GLY N N 108.870 . 1 444 46 46 CYS H H 7.583 . 1 445 46 46 CYS HA H 4.716 . 1 446 46 46 CYS HB2 H 3.166 . 2 447 46 46 CYS HB3 H 3.766 . 2 448 46 46 CYS C C 176.300 . 1 449 46 46 CYS CA C 56.228 . 1 450 46 46 CYS CB C 44.516 . 1 451 46 46 CYS N N 117.490 . 1 452 47 47 THR H H 9.481 . 1 453 47 47 THR HA H 4.456 . 1 454 47 47 THR HB H 4.653 . 1 455 47 47 THR HG2 H 1.393 . 1 456 47 47 THR C C 173.860 . 1 457 47 47 THR CA C 62.517 . 1 458 47 47 THR CB C 70.673 . 1 459 47 47 THR CG2 C 22.961 . 1 460 47 47 THR N N 122.100 . 1 461 48 48 HIS H H 8.362 . 1 462 48 48 HIS HA H 4.923 . 1 463 48 48 HIS HB2 H 2.899 . 2 464 48 48 HIS HB3 H 3.296 . 2 465 48 48 HIS HD2 H 6.099 . 1 466 48 48 HIS C C 183.120 . 1 467 48 48 HIS CA C 55.517 . 1 468 48 48 HIS CB C 28.984 . 1 469 48 48 HIS CD2 C 126.220 . 1 470 48 48 HIS N N 116.520 . 1 471 49 49 PHE H H 8.726 . 1 472 49 49 PHE HA H 5.355 . 1 473 49 49 PHE HB2 H 2.588 . 2 474 49 49 PHE HB3 H 3.053 . 2 475 49 49 PHE HD1 H 6.860 . 3 476 49 49 PHE HD2 H 6.860 . 3 477 49 49 PHE HE1 H 7.120 . 3 478 49 49 PHE HE2 H 7.120 . 3 479 49 49 PHE C C 173.650 . 1 480 49 49 PHE CA C 55.378 . 1 481 49 49 PHE CB C 43.301 . 1 482 49 49 PHE CD1 C 132.860 . 3 483 49 49 PHE CD2 C 132.860 . 3 484 49 49 PHE CE1 C 130.590 . 3 485 49 49 PHE CE2 C 130.590 . 3 486 49 49 PHE N N 112.820 . 1 487 50 50 THR H H 9.111 . 1 488 50 50 THR HA H 4.687 . 1 489 50 50 THR HB H 3.561 . 1 490 50 50 THR HG2 H 1.090 . 1 491 50 50 THR C C 172.270 . 1 492 50 50 THR CA C 63.827 . 1 493 50 50 THR CB C 72.689 . 1 494 50 50 THR CG2 C 23.124 . 1 495 50 50 THR N N 114.790 . 1 496 51 51 TYR H H 8.999 . 1 497 51 51 TYR HA H 5.433 . 1 498 51 51 TYR HB2 H 3.143 . 2 499 51 51 TYR HB3 H 3.140 . 2 500 51 51 TYR HD1 H 6.812 . 3 501 51 51 TYR HD2 H 6.795 . 3 502 51 51 TYR HE1 H 6.812 . 3 503 51 51 TYR HE2 H 6.812 . 3 504 51 51 TYR C C 173.060 . 1 505 51 51 TYR CA C 55.826 . 1 506 51 51 TYR CB C 41.388 . 1 507 51 51 TYR CD1 C 132.280 . 3 508 51 51 TYR CD2 C 132.280 . 3 509 51 51 TYR CE1 C 118.060 . 3 510 51 51 TYR CE2 C 118.060 . 3 511 51 51 TYR N N 130.670 . 1 512 52 52 ASN H H 8.034 . 1 513 52 52 ASN HA H 4.864 . 1 514 52 52 ASN HB2 H 2.337 . 2 515 52 52 ASN HB3 H 2.969 . 2 516 52 52 ASN HD21 H 7.248 . 1 517 52 52 ASN HD22 H 6.616 . 1 518 52 52 ASN C C 174.320 . 1 519 52 52 ASN CA C 52.216 . 1 520 52 52 ASN CB C 40.226 . 1 521 52 52 ASN N N 126.950 . 1 522 52 52 ASN ND2 N 109.360 . 1 523 53 53 ASP H H 9.001 . 1 524 53 53 ASP HA H 4.350 . 1 525 53 53 ASP HB2 H 2.641 . 1 526 53 53 ASP HB3 H 2.641 . 1 527 53 53 ASP C C 176.590 . 1 528 53 53 ASP CA C 56.586 . 1 529 53 53 ASP CB C 42.998 . 1 530 53 53 ASP N N 124.860 . 1 531 54 54 ASP H H 8.541 . 1 532 54 54 ASP HA H 4.489 . 1 533 54 54 ASP HB2 H 2.681 . 1 534 54 54 ASP HB3 H 2.681 . 1 535 54 54 ASP C C 177.360 . 1 536 54 54 ASP CA C 55.871 . 1 537 54 54 ASP CB C 40.137 . 1 538 54 54 ASP N N 115.950 . 1 539 55 55 SER H H 7.569 . 1 540 55 55 SER HA H 4.350 . 1 541 55 55 SER HB2 H 3.676 . 2 542 55 55 SER HB3 H 3.895 . 2 543 55 55 SER C C 174.990 . 1 544 55 55 SER CA C 57.183 . 1 545 55 55 SER CB C 64.779 . 1 546 55 55 SER N N 112.010 . 1 547 56 56 LYS H H 8.068 . 1 548 56 56 LYS HA H 3.767 . 1 549 56 56 LYS HB2 H 2.254 . 2 550 56 56 LYS HB3 H 2.379 . 2 551 56 56 LYS HG2 H 1.401 . 2 552 56 56 LYS HG3 H 1.272 . 2 553 56 56 LYS HD2 H 1.617 . 2 554 56 56 LYS HD3 H 1.610 . 2 555 56 56 LYS HE2 H 2.956 . 2 556 56 56 LYS HE3 H 2.949 . 2 557 56 56 LYS C C 173.230 . 1 558 56 56 LYS CA C 57.301 . 1 559 56 56 LYS CB C 28.391 . 1 560 56 56 LYS CG C 24.851 . 1 561 56 56 LYS CD C 28.784 . 1 562 56 56 LYS CE C 42.461 . 1 563 56 56 LYS N N 118.980 . 1 564 57 57 MET H H 6.814 . 1 565 57 57 MET HA H 4.898 . 1 566 57 57 MET HB2 H 1.579 . 2 567 57 57 MET HB3 H 1.903 . 2 568 57 57 MET HG2 H 2.283 . 1 569 57 57 MET HG3 H 2.283 . 1 570 57 57 MET C C 174.990 . 1 571 57 57 MET CA C 53.786 . 1 572 57 57 MET CB C 35.093 . 1 573 57 57 MET CG C 32.285 . 1 574 57 57 MET N N 113.390 . 1 575 58 58 CYS H H 8.915 . 1 576 58 58 CYS HA H 5.177 . 1 577 58 58 CYS HB2 H 2.693 . 2 578 58 58 CYS HB3 H 3.116 . 2 579 58 58 CYS C C 172.800 . 1 580 58 58 CYS CA C 54.120 . 1 581 58 58 CYS CB C 39.690 . 1 582 58 58 CYS N N 122.380 . 1 583 59 59 HIS H H 9.129 . 1 584 59 59 HIS HA H 4.759 . 1 585 59 59 HIS HB2 H 2.925 . 2 586 59 59 HIS HB3 H 3.407 . 2 587 59 59 HIS HD2 H 6.877 . 1 588 59 59 HIS C C 174.490 . 1 589 59 59 HIS CA C 54.718 . 1 590 59 59 HIS CB C 31.910 . 1 591 59 59 HIS CD2 C 119.660 . 1 592 59 59 HIS N N 129.770 . 1 593 60 60 VAL H H 8.770 . 1 594 60 60 VAL HA H 4.245 . 1 595 60 60 VAL HB H 2.589 . 1 596 60 60 VAL HG1 H 0.946 . 2 597 60 60 VAL HG2 H 1.019 . 2 598 60 60 VAL C C 175.170 . 1 599 60 60 VAL CA C 62.575 . 1 600 60 60 VAL CB C 31.458 . 1 601 60 60 VAL CG1 C 22.528 . 1 602 60 60 VAL CG2 C 20.286 . 1 603 60 60 VAL N N 124.790 . 1 604 61 61 LYS H H 8.573 . 1 605 61 61 LYS HA H 5.097 . 1 606 61 61 LYS HB2 H 0.140 . 2 607 61 61 LYS HB3 H 1.185 . 2 608 61 61 LYS HG2 H 0.882 . 2 609 61 61 LYS HG3 H 1.090 . 2 610 61 61 LYS HD2 H 1.237 . 2 611 61 61 LYS HD3 H 1.178 . 2 612 61 61 LYS HE2 H 3.527 . 2 613 61 61 LYS HE3 H 2.603 . 2 614 61 61 LYS C C 174.160 . 1 615 61 61 LYS CA C 55.974 . 1 616 61 61 LYS CB C 35.671 . 1 617 61 61 LYS CG C 25.209 . 1 618 61 61 LYS CD C 29.598 . 1 619 61 61 LYS CE C 42.893 . 1 620 61 61 LYS N N 124.440 . 1 621 62 62 GLU H H 7.706 . 1 622 62 62 GLU HA H 5.226 . 1 623 62 62 GLU HB2 H 1.887 . 2 624 62 62 GLU HB3 H 2.209 . 2 625 62 62 GLU HG2 H 1.888 . 2 626 62 62 GLU HG3 H 2.151 . 2 627 62 62 GLU C C 175.000 . 1 628 62 62 GLU CA C 52.591 . 1 629 62 62 GLU CB C 32.553 . 1 630 62 62 GLU CG C 35.220 . 1 631 62 62 GLU N N 115.890 . 1 632 63 63 GLY H H 7.984 . 1 633 63 63 GLY HA2 H 4.163 . 1 634 63 63 GLY HA3 H 4.163 . 1 635 63 63 GLY C C 174.460 . 1 636 63 63 GLY CA C 45.092 . 1 637 63 63 GLY N N 99.995 . 1 638 64 64 LYS H H 8.227 . 1 639 64 64 LYS HA H 4.066 . 1 640 64 64 LYS HB2 H 1.501 . 1 641 64 64 LYS HB3 H 1.501 . 1 642 64 64 LYS HG2 H 1.341 . 2 643 64 64 LYS HG3 H 1.476 . 2 644 64 64 LYS HD2 H 1.771 . 2 645 64 64 LYS HD3 H 1.519 . 2 646 64 64 LYS HE2 H 2.838 . 1 647 64 64 LYS HE3 H 2.838 . 1 648 64 64 LYS CA C 53.982 . 1 649 64 64 LYS CB C 32.253 . 1 650 64 64 LYS CG C 25.039 . 1 651 64 64 LYS CD C 29.485 . 1 652 64 64 LYS CE C 42.006 . 1 653 64 64 LYS N N 118.800 . 1 654 65 65 PRO HA H 3.538 . 1 655 65 65 PRO HB2 H 1.216 . 2 656 65 65 PRO HB3 H 1.340 . 2 657 65 65 PRO HG2 H 0.548 . 2 658 65 65 PRO HG3 H 1.742 . 2 659 65 65 PRO HD2 H 3.254 . 2 660 65 65 PRO HD3 H 2.937 . 2 661 65 65 PRO C C 174.690 . 1 662 65 65 PRO CA C 63.139 . 1 663 65 65 PRO CB C 30.898 . 1 664 65 65 PRO CG C 27.340 . 1 665 65 65 PRO CD C 49.245 . 1 666 66 66 ASP H H 7.389 . 1 667 66 66 ASP HA H 4.894 . 1 668 66 66 ASP HB2 H 2.352 . 2 669 66 66 ASP HB3 H 2.535 . 2 670 66 66 ASP C C 176.330 . 1 671 66 66 ASP CA C 52.652 . 1 672 66 66 ASP CB C 41.217 . 1 673 66 66 ASP N N 124.050 . 1 674 67 67 LEU H H 8.642 . 1 675 67 67 LEU HA H 5.169 . 1 676 67 67 LEU HB2 H 1.017 . 2 677 67 67 LEU HB3 H 1.869 . 2 678 67 67 LEU HG H 1.548 . 1 679 67 67 LEU HD1 H 0.827 . 2 680 67 67 LEU HD2 H 0.311 . 2 681 67 67 LEU C C 177.570 . 1 682 67 67 LEU CA C 55.481 . 1 683 67 67 LEU CB C 43.204 . 1 684 67 67 LEU CG C 27.180 . 1 685 67 67 LEU CD1 C 25.209 . 1 686 67 67 LEU CD2 C 22.152 . 1 687 67 67 LEU N N 122.230 . 1 688 68 68 TYR H H 8.352 . 1 689 68 68 TYR HA H 4.862 . 1 690 68 68 TYR HB2 H 2.845 . 2 691 68 68 TYR HB3 H 2.974 . 2 692 68 68 TYR HD1 H 6.990 . 3 693 68 68 TYR HD2 H 6.990 . 3 694 68 68 TYR HE1 H 6.405 . 3 695 68 68 TYR HE2 H 6.405 . 3 696 68 68 TYR C C 173.130 . 1 697 68 68 TYR CA C 55.033 . 1 698 68 68 TYR CB C 40.747 . 1 699 68 68 TYR CD1 C 133.920 . 3 700 68 68 TYR CD2 C 133.920 . 3 701 68 68 TYR CE1 C 117.520 . 3 702 68 68 TYR CE2 C 117.520 . 3 703 68 68 TYR N N 118.440 . 1 704 69 69 ASP H H 8.565 . 1 705 69 69 ASP HA H 4.665 . 1 706 69 69 ASP HB2 H 2.596 . 2 707 69 69 ASP HB3 H 2.691 . 2 708 69 69 ASP C C 173.860 . 1 709 69 69 ASP CA C 55.699 . 1 710 69 69 ASP CB C 40.527 . 1 711 69 69 ASP N N 122.150 . 1 712 70 70 LEU H H 7.827 . 1 713 70 70 LEU HA H 4.371 . 1 714 70 70 LEU HB2 H 0.648 . 2 715 70 70 LEU HB3 H 1.028 . 2 716 70 70 LEU HG H 0.527 . 1 717 70 70 LEU HD1 H 0.892 . 2 718 70 70 LEU HD2 H 0.653 . 2 719 70 70 LEU C C 175.070 . 1 720 70 70 LEU CA C 53.646 . 1 721 70 70 LEU CB C 45.559 . 1 722 70 70 LEU CG C 26.174 . 1 723 70 70 LEU CD1 C 22.702 . 1 724 70 70 LEU CD2 C 22.746 . 1 725 70 70 LEU N N 126.220 . 1 726 71 71 THR H H 8.933 . 1 727 71 71 THR HA H 3.728 . 1 728 71 71 THR HB H 3.918 . 1 729 71 71 THR HG2 H 1.186 . 1 730 71 71 THR C C 175.220 . 1 731 71 71 THR CA C 65.527 . 1 732 71 71 THR CB C 68.282 . 1 733 71 71 THR CG2 C 21.717 . 1 734 71 71 THR N N 128.010 . 1 735 72 72 GLY H H 8.808 . 1 736 72 72 GLY HA2 H 3.761 . 2 737 72 72 GLY HA3 H 4.191 . 2 738 72 72 GLY C C 174.430 . 1 739 72 72 GLY CA C 45.182 . 1 740 72 72 GLY N N 116.840 . 1 741 73 73 GLY H H 8.407 . 1 742 73 73 GLY HA2 H 2.961 . 2 743 73 73 GLY HA3 H 3.865 . 2 744 73 73 GLY C C 174.160 . 1 745 73 73 GLY CA C 47.046 . 1 746 73 73 GLY N N 107.080 . 1 747 74 74 LYS H H 9.369 . 1 748 74 74 LYS HA H 4.933 . 1 749 74 74 LYS HB2 H 1.770 . 2 750 74 74 LYS HB3 H 2.354 . 2 751 74 74 LYS HG2 H 1.659 . 1 752 74 74 LYS HG3 H 1.659 . 1 753 74 74 LYS C C 175.190 . 1 754 74 74 LYS CA C 55.513 . 1 755 74 74 LYS CB C 33.071 . 1 756 74 74 LYS CG C 25.130 . 1 757 74 74 LYS CD C 29.757 . 1 758 74 74 LYS CE C 42.639 . 1 759 74 74 LYS N N 130.140 . 1 760 75 75 THR H H 6.472 . 1 761 75 75 THR HA H 5.547 . 1 762 75 75 THR HB H 3.127 . 1 763 75 75 THR HG2 H 0.938 . 1 764 75 75 THR C C 172.670 . 1 765 75 75 THR CA C 61.492 . 1 766 75 75 THR CB C 72.109 . 1 767 75 75 THR CG2 C 20.463 . 1 768 75 75 THR N N 120.380 . 1 769 76 76 ALA H H 8.019 . 1 770 76 76 ALA HA H 4.735 . 1 771 76 76 ALA HB H 1.003 . 1 772 76 76 ALA C C 174.230 . 1 773 76 76 ALA CA C 50.350 . 1 774 76 76 ALA CB C 25.470 . 1 775 76 76 ALA N N 128.220 . 1 776 77 77 SER H H 8.163 . 1 777 77 77 SER HA H 4.138 . 1 778 77 77 SER HB2 H 3.526 . 2 779 77 77 SER HB3 H 3.582 . 2 780 77 77 SER C C 171.250 . 1 781 77 77 SER CA C 56.948 . 1 782 77 77 SER CB C 63.723 . 1 783 77 77 SER N N 111.930 . 1 784 78 78 ARG H H 7.251 . 1 785 78 78 ARG HA H 3.733 . 1 786 78 78 ARG HB2 H 0.376 . 2 787 78 78 ARG HB3 H 1.353 . 2 788 78 78 ARG HG2 H 0.839 . 2 789 78 78 ARG HG3 H 1.216 . 2 790 78 78 ARG HD2 H 1.793 . 2 791 78 78 ARG HD3 H 3.150 . 2 792 78 78 ARG HE H 8.288 . 1 793 78 78 ARG C C 175.630 . 1 794 78 78 ARG CA C 58.390 . 1 795 78 78 ARG CB C 31.028 . 1 796 78 78 ARG CG C 26.848 . 1 797 78 78 ARG CD C 42.973 . 1 798 78 78 ARG N N 124.400 . 1 799 78 78 ARG NE N 86.016 . 1 800 79 79 SER H H 7.021 . 1 801 79 79 SER HA H 4.555 . 1 802 79 79 SER HB2 H 3.671 . 2 803 79 79 SER HB3 H 3.942 . 2 804 79 79 SER C C 174.370 . 1 805 79 79 SER CA C 56.108 . 1 806 79 79 SER CB C 65.561 . 1 807 79 79 SER N N 105.780 . 1 808 80 80 CYS H H 8.848 . 1 809 80 80 CYS HA H 4.982 . 1 810 80 80 CYS HB2 H 2.713 . 2 811 80 80 CYS HB3 H 3.366 . 2 812 80 80 CYS C C 174.460 . 1 813 80 80 CYS CA C 50.436 . 1 814 80 80 CYS CB C 34.750 . 1 815 80 80 CYS N N 121.270 . 1 816 81 81 ASP H H 8.198 . 1 817 81 81 ASP HA H 4.537 . 1 818 81 81 ASP HB2 H 2.609 . 2 819 81 81 ASP HB3 H 2.637 . 2 820 81 81 ASP C C 175.920 . 1 821 81 81 ASP CA C 54.896 . 1 822 81 81 ASP CB C 40.704 . 1 823 81 81 ASP N N 121.060 . 1 824 82 82 ARG H H 8.448 . 1 825 82 82 ARG HA H 3.589 . 1 826 82 82 ARG HB2 H 1.153 . 2 827 82 82 ARG HB3 H 1.229 . 2 828 82 82 ARG HG2 H 0.827 . 2 829 82 82 ARG HG3 H 1.326 . 2 830 82 82 ARG HD2 H 2.958 . 2 831 82 82 ARG HD3 H 3.053 . 2 832 82 82 ARG C C 179.170 . 1 833 82 82 ARG CA C 54.844 . 1 834 82 82 ARG CB C 29.767 . 1 835 82 82 ARG CG C 26.284 . 1 836 82 82 ARG CD C 43.767 . 1 837 82 82 ARG N N 127.100 . 1 838 83 83 SER H H 8.912 . 1 839 83 83 SER HA H 3.991 . 1 840 83 83 SER HB2 H 4.349 . 1 841 83 83 SER HB3 H 4.349 . 1 842 83 83 SER C C 174.500 . 1 843 83 83 SER CA C 61.800 . 1 844 83 83 SER CB C 62.770 . 1 845 83 83 SER N N 119.280 . 1 846 84 84 CYS H H 8.549 . 1 847 84 84 CYS HA H 5.307 . 1 848 84 84 CYS HB2 H 3.075 . 2 849 84 84 CYS HB3 H 3.422 . 2 850 84 84 CYS C C 173.570 . 1 851 84 84 CYS CA C 58.225 . 1 852 84 84 CYS CB C 34.277 . 1 853 84 84 CYS N N 115.630 . 1 854 85 85 PHE H H 7.951 . 1 855 85 85 PHE HA H 5.134 . 1 856 85 85 PHE HB2 H 3.150 . 2 857 85 85 PHE HB3 H 3.396 . 2 858 85 85 PHE HD1 H 7.305 . 3 859 85 85 PHE HD2 H 7.305 . 3 860 85 85 PHE HE1 H 7.351 . 3 861 85 85 PHE HE2 H 7.351 . 3 862 85 85 PHE HZ H 7.040 . 1 863 85 85 PHE C C 175.820 . 1 864 85 85 PHE CA C 55.123 . 1 865 85 85 PHE CB C 36.153 . 1 866 85 85 PHE CD1 C 129.520 . 3 867 85 85 PHE CD2 C 129.520 . 3 868 85 85 PHE CE1 C 132.050 . 3 869 85 85 PHE CE2 C 132.050 . 3 870 85 85 PHE CZ C 129.840 . 1 871 85 85 PHE N N 125.010 . 1 872 86 86 GLU H H 9.550 . 1 873 86 86 GLU HA H 4.657 . 1 874 86 86 GLU HB2 H 1.778 . 2 875 86 86 GLU HB3 H 1.894 . 2 876 86 86 GLU HG2 H 2.242 . 1 877 86 86 GLU HG3 H 2.242 . 1 878 86 86 GLU C C 175.700 . 1 879 86 86 GLU CA C 55.163 . 1 880 86 86 GLU CB C 31.018 . 1 881 86 86 GLU CG C 36.382 . 1 882 86 86 GLU N N 122.780 . 1 883 87 87 GLN H H 8.731 . 1 884 87 87 GLN HA H 4.409 . 1 885 87 87 GLN HB2 H 1.555 . 2 886 87 87 GLN HB3 H 1.798 . 2 887 87 87 GLN HG2 H 1.934 . 2 888 87 87 GLN HG3 H 2.085 . 2 889 87 87 GLN HE21 H 7.384 . 1 890 87 87 GLN HE22 H 6.888 . 1 891 87 87 GLN C C 176.130 . 1 892 87 87 GLN CA C 56.735 . 1 893 87 87 GLN CB C 29.150 . 1 894 87 87 GLN CG C 33.652 . 1 895 87 87 GLN N N 125.760 . 1 896 87 87 GLN NE2 N 112.020 . 1 897 88 88 HIS H H 8.942 . 1 898 88 88 HIS HA H 5.118 . 1 899 88 88 HIS HB2 H 2.989 . 2 900 88 88 HIS HB3 H 3.559 . 2 901 88 88 HIS HD2 H 7.202 . 1 902 88 88 HIS C C 174.090 . 1 903 88 88 HIS CA C 55.871 . 1 904 88 88 HIS CB C 27.564 . 1 905 88 88 HIS CD2 C 120.220 . 1 906 88 88 HIS N N 117.110 . 1 907 89 89 VAL H H 7.010 . 1 908 89 89 VAL HA H 4.748 . 1 909 89 89 VAL HB H 1.696 . 1 910 89 89 VAL HG1 H 0.868 . 2 911 89 89 VAL HG2 H 0.565 . 2 912 89 89 VAL C C 174.490 . 1 913 89 89 VAL CA C 60.807 . 1 914 89 89 VAL CB C 34.284 . 1 915 89 89 VAL CG1 C 22.612 . 1 916 89 89 VAL CG2 C 22.110 . 1 917 89 89 VAL N N 117.370 . 1 918 90 90 SER H H 8.645 . 1 919 90 90 SER HA H 4.406 . 1 920 90 90 SER HB2 H 3.612 . 1 921 90 90 SER HB3 H 3.612 . 1 922 90 90 SER C C 172.270 . 1 923 90 90 SER CA C 54.985 . 1 924 90 90 SER CB C 66.033 . 1 925 90 90 SER N N 120.360 . 1 926 91 91 TYR H H 7.861 . 1 927 91 91 TYR HA H 4.952 . 1 928 91 91 TYR HB2 H 2.254 . 2 929 91 91 TYR HB3 H 3.203 . 2 930 91 91 TYR HD1 H 6.990 . 3 931 91 91 TYR HD2 H 6.990 . 3 932 91 91 TYR HE1 H 6.408 . 3 933 91 91 TYR HE2 H 6.408 . 3 934 91 91 TYR C C 177.260 . 1 935 91 91 TYR CA C 56.812 . 1 936 91 91 TYR CB C 38.578 . 1 937 91 91 TYR CD1 C 133.920 . 3 938 91 91 TYR CD2 C 133.920 . 3 939 91 91 TYR CE1 C 118.060 . 3 940 91 91 TYR CE2 C 118.060 . 3 941 91 91 TYR N N 123.760 . 1 942 92 92 GLU H H 8.093 . 1 943 92 92 GLU HA H 3.860 . 1 944 92 92 GLU HB2 H 1.902 . 1 945 92 92 GLU HB3 H 1.902 . 1 946 92 92 GLU HG2 H 2.247 . 1 947 92 92 GLU HG3 H 2.247 . 1 948 92 92 GLU C C 176.530 . 1 949 92 92 GLU CA C 58.908 . 1 950 92 92 GLU CB C 30.175 . 1 951 92 92 GLU CG C 36.199 . 1 952 92 92 GLU N N 119.270 . 1 953 93 93 GLY H H 9.235 . 1 954 93 93 GLY HA2 H 3.622 . 2 955 93 93 GLY HA3 H 3.790 . 2 956 93 93 GLY C C 173.860 . 1 957 93 93 GLY CA C 45.322 . 1 958 93 93 GLY N N 105.170 . 1 959 94 94 ALA H H 7.624 . 1 960 94 94 ALA HA H 2.743 . 1 961 94 94 ALA HB H 1.210 . 1 962 94 94 ALA C C 174.630 . 1 963 94 94 ALA CA C 49.482 . 1 964 94 94 ALA CB C 16.948 . 1 965 94 94 ALA N N 123.290 . 1 966 95 95 PRO HA H 4.288 . 1 967 95 95 PRO HB2 H 1.736 . 2 968 95 95 PRO HB3 H 2.221 . 2 969 95 95 PRO HG2 H 1.920 . 2 970 95 95 PRO HG3 H 2.028 . 2 971 95 95 PRO HD2 H 3.268 . 1 972 95 95 PRO HD3 H 3.268 . 1 973 95 95 PRO C C 177.070 . 1 974 95 95 PRO CA C 62.467 . 1 975 95 95 PRO CB C 31.569 . 1 976 95 95 PRO CG C 27.269 . 1 977 95 95 PRO CD C 49.749 . 1 978 96 96 ASP H H 8.509 . 1 979 96 96 ASP HA H 5.120 . 1 980 96 96 ASP HB2 H 2.519 . 2 981 96 96 ASP HB3 H 2.734 . 2 982 96 96 ASP C C 179.140 . 1 983 96 96 ASP CA C 54.896 . 1 984 96 96 ASP CB C 41.868 . 1 985 96 96 ASP N N 122.640 . 1 986 97 97 VAL H H 8.565 . 1 987 97 97 VAL HA H 4.480 . 1 988 97 97 VAL HB H 2.228 . 1 989 97 97 VAL HG1 H 0.875 . 2 990 97 97 VAL HG2 H 0.492 . 2 991 97 97 VAL C C 174.890 . 1 992 97 97 VAL CA C 60.656 . 1 993 97 97 VAL CB C 32.643 . 1 994 97 97 VAL CG1 C 21.000 . 1 995 97 97 VAL CG2 C 17.646 . 1 996 97 97 VAL N N 112.870 . 1 997 98 98 MET H H 7.504 . 1 998 98 98 MET HA H 4.523 . 1 999 98 98 MET HB2 H 1.843 . 2 1000 98 98 MET HB3 H 1.980 . 2 1001 98 98 MET HG2 H 2.024 . 2 1002 98 98 MET HG3 H 2.240 . 2 1003 98 98 MET C C 174.170 . 1 1004 98 98 MET CA C 54.360 . 1 1005 98 98 MET CB C 35.700 . 1 1006 98 98 MET CG C 29.667 . 1 1007 98 98 MET N N 116.110 . 1 1008 99 99 THR H H 8.190 . 1 1009 99 99 THR HA H 4.101 . 1 1010 99 99 THR HB H 4.031 . 1 1011 99 99 THR HG2 H 1.427 . 1 1012 99 99 THR C C 173.270 . 1 1013 99 99 THR CA C 63.642 . 1 1014 99 99 THR CB C 69.542 . 1 1015 99 99 THR CG2 C 22.075 . 1 1016 99 99 THR N N 116.680 . 1 1017 100 100 ALA H H 8.354 . 1 1018 100 100 ALA HA H 4.658 . 1 1019 100 100 ALA HB H 1.423 . 1 1020 100 100 ALA C C 177.670 . 1 1021 100 100 ALA CA C 53.117 . 1 1022 100 100 ALA CB C 19.836 . 1 1023 100 100 ALA N N 126.740 . 1 1024 101 101 MET H H 8.161 . 1 1025 101 101 MET HA H 4.915 . 1 1026 101 101 MET HB2 H 2.004 . 2 1027 101 101 MET HB3 H 2.157 . 2 1028 101 101 MET HG2 H 2.256 . 2 1029 101 101 MET HG3 H 2.588 . 2 1030 101 101 MET C C 173.930 . 1 1031 101 101 MET CA C 54.454 . 1 1032 101 101 MET CB C 38.692 . 1 1033 101 101 MET CG C 32.078 . 1 1034 101 101 MET N N 119.220 . 1 1035 102 102 VAL H H 8.656 . 1 1036 102 102 VAL HA H 5.195 . 1 1037 102 102 VAL HB H 1.968 . 1 1038 102 102 VAL HG1 H 0.991 . 2 1039 102 102 VAL HG2 H 0.942 . 2 1040 102 102 VAL C C 176.440 . 1 1041 102 102 VAL CA C 61.328 . 1 1042 102 102 VAL CB C 32.285 . 1 1043 102 102 VAL CG1 C 20.695 . 1 1044 102 102 VAL CG2 C 20.731 . 1 1045 102 102 VAL N N 127.560 . 1 1046 103 103 THR H H 9.051 . 1 1047 103 103 THR HA H 4.759 . 1 1048 103 103 THR HB H 4.508 . 1 1049 103 103 THR HG2 H 1.083 . 1 1050 103 103 THR C C 171.680 . 1 1051 103 103 THR CA C 59.342 . 1 1052 103 103 THR CB C 66.988 . 1 1053 103 103 THR CG2 C 21.627 . 1 1054 103 103 THR N N 121.640 . 1 1055 104 104 SER H H 8.815 . 1 1056 104 104 SER HA H 4.475 . 1 1057 104 104 SER HB2 H 3.858 . 1 1058 104 104 SER HB3 H 3.858 . 1 1059 104 104 SER C C 174.010 . 1 1060 104 104 SER CA C 58.376 . 1 1061 104 104 SER CB C 63.810 . 1 1062 104 104 SER N N 122.420 . 1 1063 105 105 GLN H H 8.422 . 1 1064 105 105 GLN HA H 4.500 . 1 1065 105 105 GLN HB2 H 1.652 . 2 1066 105 105 GLN HB3 H 1.268 . 2 1067 105 105 GLN HG2 H 1.529 . 2 1068 105 105 GLN HG3 H 1.299 . 2 1069 105 105 GLN HE21 H 6.290 . 1 1070 105 105 GLN HE22 H 6.897 . 1 1071 105 105 GLN C C 174.530 . 1 1072 105 105 GLN CA C 52.973 . 1 1073 105 105 GLN CB C 28.759 . 1 1074 105 105 GLN CG C 28.906 . 1 1075 105 105 GLN N N 122.550 . 1 1076 105 105 GLN NE2 N 109.650 . 1 1077 106 106 SER H H 8.285 . 1 1078 106 106 SER HA H 3.034 . 1 1079 106 106 SER HB2 H 2.978 . 2 1080 106 106 SER HB3 H 3.165 . 2 1081 106 106 SER C C 176.390 . 1 1082 106 106 SER CA C 59.997 . 1 1083 106 106 SER CB C 61.889 . 1 1084 106 106 SER N N 122.420 . 1 1085 107 107 ALA H H 8.684 . 1 1086 107 107 ALA HA H 4.098 . 1 1087 107 107 ALA HB H 1.649 . 1 1088 107 107 ALA C C 179.830 . 1 1089 107 107 ALA CA C 55.074 . 1 1090 107 107 ALA CB C 18.555 . 1 1091 107 107 ALA N N 124.220 . 1 1092 108 108 ASP H H 7.735 . 1 1093 108 108 ASP HA H 4.021 . 1 1094 108 108 ASP HB2 H 2.355 . 2 1095 108 108 ASP HB3 H 2.962 . 2 1096 108 108 ASP C C 178.980 . 1 1097 108 108 ASP CA C 56.681 . 1 1098 108 108 ASP CB C 39.789 . 1 1099 108 108 ASP N N 116.810 . 1 1100 109 109 CYS H H 7.427 . 1 1101 109 109 CYS HA H 4.120 . 1 1102 109 109 CYS HB2 H 1.749 . 2 1103 109 109 CYS HB3 H 2.373 . 2 1104 109 109 CYS C C 176.760 . 1 1105 109 109 CYS CA C 54.274 . 1 1106 109 109 CYS CB C 35.680 . 1 1107 109 109 CYS N N 113.140 . 1 1108 110 110 GLN H H 6.544 . 1 1109 110 110 GLN HA H 3.237 . 1 1110 110 110 GLN HB2 H 1.381 . 2 1111 110 110 GLN HB3 H 2.545 . 2 1112 110 110 GLN HG2 H 1.693 . 2 1113 110 110 GLN HG3 H 2.376 . 2 1114 110 110 GLN HE21 H 5.337 . 1 1115 110 110 GLN HE22 H 7.594 . 1 1116 110 110 GLN C C 176.330 . 1 1117 110 110 GLN CA C 59.614 . 1 1118 110 110 GLN CB C 28.000 . 1 1119 110 110 GLN CG C 33.501 . 1 1120 110 110 GLN N N 119.960 . 1 1121 110 110 GLN NE2 N 113.580 . 1 1122 111 111 ALA H H 7.622 . 1 1123 111 111 ALA HA H 4.138 . 1 1124 111 111 ALA HB H 1.658 . 1 1125 111 111 ALA C C 178.270 . 1 1126 111 111 ALA CA C 55.931 . 1 1127 111 111 ALA CB C 18.129 . 1 1128 111 111 ALA N N 120.720 . 1 1129 112 112 ALA H H 7.754 . 1 1130 112 112 ALA HA H 3.765 . 1 1131 112 112 ALA HB H 1.192 . 1 1132 112 112 ALA C C 177.810 . 1 1133 112 112 ALA CA C 54.632 . 1 1134 112 112 ALA CB C 18.812 . 1 1135 112 112 ALA N N 114.440 . 1 1136 113 113 CYS H H 7.883 . 1 1137 113 113 CYS HA H 4.025 . 1 1138 113 113 CYS HB2 H 2.896 . 2 1139 113 113 CYS HB3 H 3.256 . 2 1140 113 113 CYS C C 176.730 . 1 1141 113 113 CYS CA C 57.068 . 1 1142 113 113 CYS CB C 41.645 . 1 1143 113 113 CYS N N 115.830 . 1 1144 114 114 ALA H H 8.943 . 1 1145 114 114 ALA HA H 3.700 . 1 1146 114 114 ALA HB H 1.410 . 1 1147 114 114 ALA C C 178.910 . 1 1148 114 114 ALA CA C 54.975 . 1 1149 114 114 ALA CB C 18.075 . 1 1150 114 114 ALA N N 121.290 . 1 1151 115 115 ALA H H 7.144 . 1 1152 115 115 ALA HA H 4.270 . 1 1153 115 115 ALA HB H 1.376 . 1 1154 115 115 ALA C C 176.800 . 1 1155 115 115 ALA CA C 52.308 . 1 1156 115 115 ALA CB C 19.567 . 1 1157 115 115 ALA N N 116.610 . 1 1158 116 116 ASP H H 7.287 . 1 1159 116 116 ASP HA H 5.129 . 1 1160 116 116 ASP HB2 H 2.160 . 2 1161 116 116 ASP HB3 H 2.744 . 2 1162 116 116 ASP C C 175.100 . 1 1163 116 116 ASP CA C 51.150 . 1 1164 116 116 ASP CB C 46.741 . 1 1165 116 116 ASP N N 120.510 . 1 1166 117 117 PRO HA H 4.312 . 1 1167 117 117 PRO HB2 H 2.350 . 2 1168 117 117 PRO HB3 H 1.997 . 2 1169 117 117 PRO HG2 H 2.007 . 1 1170 117 117 PRO HG3 H 2.007 . 1 1171 117 117 PRO HD2 H 3.927 . 2 1172 117 117 PRO HD3 H 3.751 . 2 1173 117 117 PRO C C 177.560 . 1 1174 117 117 PRO CA C 64.720 . 1 1175 117 117 PRO CB C 32.275 . 1 1176 117 117 PRO CG C 27.187 . 1 1177 117 117 PRO CD C 51.535 . 1 1178 118 118 SER H H 8.829 . 1 1179 118 118 SER HA H 4.420 . 1 1180 118 118 SER HB2 H 3.726 . 2 1181 118 118 SER HB3 H 3.788 . 2 1182 118 118 SER C C 180.270 . 1 1183 118 118 SER CA C 59.536 . 1 1184 118 118 SER CB C 63.909 . 1 1185 118 118 SER N N 113.630 . 1 1186 119 119 CYS H H 7.871 . 1 1187 119 119 CYS HA H 4.036 . 1 1188 119 119 CYS HB2 H 3.159 . 2 1189 119 119 CYS HB3 H 3.927 . 2 1190 119 119 CYS C C 173.090 . 1 1191 119 119 CYS CA C 58.108 . 1 1192 119 119 CYS CB C 44.057 . 1 1193 119 119 CYS N N 121.400 . 1 1194 120 120 GLU H H 9.325 . 1 1195 120 120 GLU HA H 4.592 . 1 1196 120 120 GLU HB2 H 1.463 . 2 1197 120 120 GLU HB3 H 2.150 . 2 1198 120 120 GLU HG2 H 2.290 . 1 1199 120 120 GLU HG3 H 2.290 . 1 1200 120 120 GLU C C 175.670 . 1 1201 120 120 GLU CA C 57.127 . 1 1202 120 120 GLU CB C 33.031 . 1 1203 120 120 GLU CG C 35.419 . 1 1204 120 120 GLU N N 125.900 . 1 1205 121 121 ILE H H 7.842 . 1 1206 121 121 ILE HA H 4.540 . 1 1207 121 121 ILE HB H 0.904 . 1 1208 121 121 ILE HG12 H -0.361 . 1 1209 121 121 ILE HG13 H 0.429 . 1 1210 121 121 ILE HG2 H -0.379 . 1 1211 121 121 ILE HD1 H -0.181 . 1 1212 121 121 ILE C C 172.700 . 1 1213 121 121 ILE CA C 58.347 . 1 1214 121 121 ILE CB C 43.481 . 1 1215 121 121 ILE CG1 C 26.340 . 1 1216 121 121 ILE CG2 C 19.889 . 1 1217 121 121 ILE CD1 C 16.114 . 1 1218 121 121 ILE N N 114.550 . 1 1219 122 122 PHE H H 8.069 . 1 1220 122 122 PHE HA H 5.788 . 1 1221 122 122 PHE HB2 H 2.471 . 2 1222 122 122 PHE HB3 H 2.741 . 2 1223 122 122 PHE HD1 H 6.585 . 3 1224 122 122 PHE HD2 H 6.417 . 3 1225 122 122 PHE C C 173.060 . 1 1226 122 122 PHE CA C 54.759 . 1 1227 122 122 PHE CB C 44.435 . 1 1228 122 122 PHE CD1 C 132.050 . 3 1229 122 122 PHE CD2 C 132.050 . 3 1230 122 122 PHE N N 116.420 . 1 1231 123 123 THR H H 8.777 . 1 1232 123 123 THR HA H 4.860 . 1 1233 123 123 THR HB H 3.580 . 1 1234 123 123 THR HG2 H 1.208 . 1 1235 123 123 THR C C 172.400 . 1 1236 123 123 THR CA C 62.198 . 1 1237 123 123 THR CB C 72.539 . 1 1238 123 123 THR CG2 C 23.329 . 1 1239 123 123 THR N N 116.330 . 1 1240 124 124 TYR H H 9.995 . 1 1241 124 124 TYR HA H 5.374 . 1 1242 124 124 TYR HB2 H 2.991 . 1 1243 124 124 TYR HB3 H 2.991 . 1 1244 124 124 TYR HD1 H 6.925 . 3 1245 124 124 TYR HD2 H 6.925 . 3 1246 124 124 TYR C C 173.320 . 1 1247 124 124 TYR CA C 56.148 . 1 1248 124 124 TYR CB C 40.972 . 1 1249 124 124 TYR CD1 C 133.370 . 3 1250 124 124 TYR CD2 C 133.370 . 3 1251 124 124 TYR CE1 C 117.122 . 3 1252 124 124 TYR CE2 C 117.520 . 3 1253 124 124 TYR N N 128.170 . 1 1254 125 125 ASN H H 8.160 . 1 1255 125 125 ASN HA H 4.843 . 1 1256 125 125 ASN HB2 H 2.554 . 2 1257 125 125 ASN HB3 H 2.840 . 2 1258 125 125 ASN HD21 H 7.688 . 1 1259 125 125 ASN HD22 H 6.796 . 1 1260 125 125 ASN C C 174.990 . 1 1261 125 125 ASN CA C 51.791 . 1 1262 125 125 ASN CB C 39.890 . 1 1263 125 125 ASN N N 127.170 . 1 1264 125 125 ASN ND2 N 113.870 . 1 1265 126 126 GLU H H 8.428 . 1 1266 126 126 GLU HA H 3.614 . 1 1267 126 126 GLU HB2 H 1.982 . 1 1268 126 126 GLU HB3 H 1.982 . 1 1269 126 126 GLU HG2 H 2.244 . 2 1270 126 126 GLU HG3 H 2.373 . 2 1271 126 126 GLU C C 178.130 . 1 1272 126 126 GLU CA C 58.764 . 1 1273 126 126 GLU CB C 29.777 . 1 1274 126 126 GLU CG C 36.136 . 1 1275 126 126 GLU N N 124.080 . 1 1276 127 127 HIS H H 8.507 . 1 1277 127 127 HIS HA H 4.316 . 1 1278 127 127 HIS HB2 H 3.165 . 2 1279 127 127 HIS HB3 H 3.269 . 2 1280 127 127 HIS HD2 H 7.072 . 1 1281 127 127 HIS C C 176.790 . 1 1282 127 127 HIS CA C 58.795 . 1 1283 127 127 HIS CB C 28.798 . 1 1284 127 127 HIS CD2 C 120.660 . 1 1285 127 127 HIS N N 118.900 . 1 1286 128 128 ASP H H 7.829 . 1 1287 128 128 ASP HA H 4.431 . 1 1288 128 128 ASP HB2 H 2.176 . 2 1289 128 128 ASP HB3 H 2.596 . 2 1290 128 128 ASP C C 174.560 . 1 1291 128 128 ASP CA C 53.511 . 1 1292 128 128 ASP CB C 41.005 . 1 1293 128 128 ASP N N 116.330 . 1 1294 129 129 GLN H H 7.723 . 1 1295 129 129 GLN HA H 3.432 . 1 1296 129 129 GLN HB2 H 2.148 . 2 1297 129 129 GLN HB3 H 2.269 . 2 1298 129 129 GLN HG2 H 2.152 . 2 1299 129 129 GLN HG3 H 2.155 . 2 1300 129 129 GLN HE21 H 7.610 . 1 1301 129 129 GLN HE22 H 6.689 . 1 1302 129 129 GLN C C 173.160 . 1 1303 129 129 GLN CA C 56.750 . 1 1304 129 129 GLN CB C 25.737 . 1 1305 129 129 GLN CG C 34.613 . 1 1306 129 129 GLN N N 117.120 . 1 1307 129 129 GLN NE2 N 111.650 . 1 1308 130 130 LYS H H 7.039 . 1 1309 130 130 LYS HA H 5.120 . 1 1310 130 130 LYS HB2 H 1.375 . 2 1311 130 130 LYS HB3 H 1.490 . 2 1312 130 130 LYS HG2 H 1.106 . 2 1313 130 130 LYS HG3 H 1.118 . 2 1314 130 130 LYS HD2 H 1.493 . 2 1315 130 130 LYS HD3 H 1.498 . 2 1316 130 130 LYS HE2 H 2.706 . 2 1317 130 130 LYS HE3 H 2.713 . 2 1318 130 130 LYS C C 176.310 . 1 1319 130 130 LYS CA C 55.074 . 1 1320 130 130 LYS CB C 37.826 . 1 1321 130 130 LYS CG C 25.120 . 1 1322 130 130 LYS CD C 29.329 . 1 1323 130 130 LYS CE C 41.868 . 1 1324 130 130 LYS N N 114.620 . 1 1325 131 131 CYS H H 9.716 . 1 1326 131 131 CYS HA H 5.477 . 1 1327 131 131 CYS HB2 H 2.316 . 2 1328 131 131 CYS HB3 H 2.706 . 2 1329 131 131 CYS C C 174.660 . 1 1330 131 131 CYS CA C 52.760 . 1 1331 131 131 CYS CB C 42.289 . 1 1332 131 131 CYS N N 126.200 . 1 1333 132 132 THR H H 9.059 . 1 1334 132 132 THR HA H 4.729 . 1 1335 132 132 THR HB H 4.047 . 1 1336 132 132 THR HG2 H 1.187 . 1 1337 132 132 THR C C 174.090 . 1 1338 132 132 THR CA C 59.684 . 1 1339 132 132 THR CB C 71.615 . 1 1340 132 132 THR CG2 C 23.329 . 1 1341 132 132 THR N N 112.880 . 1 1342 133 133 PHE H H 8.612 . 1 1343 133 133 PHE HA H 5.306 . 1 1344 133 133 PHE HB2 H 2.658 . 2 1345 133 133 PHE HB3 H 3.088 . 2 1346 133 133 PHE HD1 H 7.173 . 3 1347 133 133 PHE HD2 H 7.173 . 3 1348 133 133 PHE HE1 H 7.640 . 3 1349 133 133 PHE HE2 H 7.640 . 3 1350 133 133 PHE C C 174.830 . 1 1351 133 133 PHE CA C 57.484 . 1 1352 133 133 PHE CB C 43.211 . 1 1353 133 133 PHE CD1 C 134.000 . 3 1354 133 133 PHE CD2 C 134.000 . 3 1355 133 133 PHE CE1 C 131.700 . 3 1356 133 133 PHE CE2 C 131.700 . 3 1357 133 133 PHE N N 118.730 . 1 1358 134 134 LYS H H 8.774 . 1 1359 134 134 LYS HA H 5.097 . 1 1360 134 134 LYS HB2 H 1.639 . 2 1361 134 134 LYS HB3 H 1.894 . 2 1362 134 134 LYS HG2 H 1.031 . 2 1363 134 134 LYS HG3 H 1.642 . 2 1364 134 134 LYS C C 175.820 . 1 1365 134 134 LYS CA C 52.257 . 1 1366 134 134 LYS CB C 33.180 . 1 1367 134 134 LYS CG C 27.761 . 1 1368 134 134 LYS CD C 29.581 . 1 1369 134 134 LYS CE C 42.047 . 1 1370 134 134 LYS N N 120.130 . 1 1371 135 135 GLY H H 9.466 . 1 1372 135 135 GLY HA2 H 3.784 . 2 1373 135 135 GLY HA3 H 4.725 . 2 1374 135 135 GLY C C 172.320 . 1 1375 135 135 GLY CA C 44.163 . 1 1376 135 135 GLY N N 111.810 . 1 1377 136 136 ARG H H 8.443 . 1 1378 136 136 ARG HA H 4.205 . 1 1379 136 136 ARG HB2 H 1.842 . 1 1380 136 136 ARG HB3 H 1.842 . 1 1381 136 136 ARG HG2 H 1.690 . 2 1382 136 136 ARG HG3 H 1.784 . 2 1383 136 136 ARG HD2 H 3.254 . 1 1384 136 136 ARG HD3 H 3.254 . 1 1385 136 136 ARG C C 177.770 . 1 1386 136 136 ARG CA C 57.897 . 1 1387 136 136 ARG CB C 30.120 . 1 1388 136 136 ARG CG C 27.001 . 1 1389 136 136 ARG CD C 43.570 . 1 1390 136 136 ARG N N 120.010 . 1 1391 137 137 GLY HA2 H 3.714 . 2 1392 137 137 GLY HA3 H 4.380 . 2 1393 137 137 GLY C C 176.600 . 1 1394 137 137 GLY CA C 44.974 . 1 1395 138 138 PHE H H 7.853 . 1 1396 138 138 PHE HA H 4.343 . 1 1397 138 138 PHE HB2 H 2.581 . 2 1398 138 138 PHE HB3 H 3.444 . 2 1399 138 138 PHE HD1 H 6.844 . 3 1400 138 138 PHE HD2 H 6.844 . 3 1401 138 138 PHE HE1 H 7.120 . 3 1402 138 138 PHE HE2 H 7.120 . 3 1403 138 138 PHE HZ H 7.225 . 1 1404 138 138 PHE C C 176.660 . 1 1405 138 138 PHE CA C 59.626 . 1 1406 138 138 PHE CB C 37.130 . 1 1407 138 138 PHE CD1 C 132.850 . 3 1408 138 138 PHE CD2 C 132.850 . 3 1409 138 138 PHE CE1 C 131.190 . 3 1410 138 138 PHE CE2 C 131.190 . 3 1411 138 138 PHE CZ C 130.640 . 1 1412 138 138 PHE N N 118.190 . 1 1413 139 139 SER H H 7.268 . 1 1414 139 139 SER HA H 3.296 . 1 1415 139 139 SER HB2 H 3.291 . 2 1416 139 139 SER HB3 H 3.721 . 2 1417 139 139 SER C C 175.970 . 1 1418 139 139 SER CA C 62.151 . 1 1419 139 139 SER CB C 62.299 . 1 1420 139 139 SER N N 116.730 . 1 1421 140 140 ALA H H 7.270 . 1 1422 140 140 ALA HA H 4.080 . 1 1423 140 140 ALA HB H 1.006 . 1 1424 140 140 ALA C C 177.400 . 1 1425 140 140 ALA CA C 53.200 . 1 1426 140 140 ALA CB C 18.394 . 1 1427 140 140 ALA N N 123.120 . 1 1428 141 141 PHE H H 8.183 . 1 1429 141 141 PHE HA H 4.562 . 1 1430 141 141 PHE HB2 H 2.918 . 2 1431 141 141 PHE HB3 H 3.337 . 2 1432 141 141 PHE HD1 H 7.267 . 3 1433 141 141 PHE HD2 H 7.267 . 3 1434 141 141 PHE C C 174.240 . 1 1435 141 141 PHE CA C 56.859 . 1 1436 141 141 PHE CB C 39.322 . 1 1437 141 141 PHE CD1 C 131.880 . 3 1438 141 141 PHE CD2 C 131.880 . 3 1439 141 141 PHE N N 115.700 . 1 1440 142 142 LYS H H 7.009 . 1 1441 142 142 LYS HA H 3.444 . 1 1442 142 142 LYS HB2 H 1.712 . 2 1443 142 142 LYS HB3 H 1.778 . 2 1444 142 142 LYS HG2 H 0.806 . 2 1445 142 142 LYS HG3 H 0.861 . 2 1446 142 142 LYS HD2 H 1.608 . 1 1447 142 142 LYS HD3 H 1.608 . 1 1448 142 142 LYS HE2 H 2.776 . 2 1449 142 142 LYS HE3 H 2.901 . 2 1450 142 142 LYS C C 175.990 . 1 1451 142 142 LYS CA C 58.424 . 1 1452 142 142 LYS CB C 33.432 . 1 1453 142 142 LYS CG C 25.208 . 1 1454 142 142 LYS CD C 30.035 . 1 1455 142 142 LYS CE C 42.014 . 1 1456 142 142 LYS N N 121.010 . 1 1457 143 143 GLU H H 8.891 . 1 1458 143 143 GLU HA H 4.545 . 1 1459 143 143 GLU HB2 H 1.719 . 2 1460 143 143 GLU HB3 H 1.899 . 2 1461 143 143 GLU HG2 H 2.108 . 1 1462 143 143 GLU HG3 H 2.108 . 1 1463 143 143 GLU C C 174.440 . 1 1464 143 143 GLU CA C 55.345 . 1 1465 143 143 GLU CB C 32.464 . 1 1466 143 143 GLU CG C 36.381 . 1 1467 143 143 GLU N N 129.590 . 1 1468 144 144 ARG H H 8.491 . 1 1469 144 144 ARG HA H 4.801 . 1 1470 144 144 ARG HB2 H 1.674 . 2 1471 144 144 ARG HB3 H 1.860 . 2 1472 144 144 ARG HG2 H 1.546 . 1 1473 144 144 ARG HG3 H 1.546 . 1 1474 144 144 ARG HD2 H 3.157 . 1 1475 144 144 ARG HD3 H 3.157 . 1 1476 144 144 ARG C C 176.510 . 1 1477 144 144 ARG CA C 55.074 . 1 1478 144 144 ARG CB C 32.285 . 1 1479 144 144 ARG CG C 27.353 . 1 1480 144 144 ARG CD C 43.266 . 1 1481 144 144 ARG N N 121.690 . 1 1482 145 145 GLY H H 8.380 . 1 1483 145 145 GLY HA2 H 3.158 . 2 1484 145 145 GLY HA3 H 3.764 . 2 1485 145 145 GLY C C 174.130 . 1 1486 145 145 GLY CA C 44.819 . 1 1487 145 145 GLY N N 110.220 . 1 1488 146 146 VAL H H 8.218 . 1 1489 146 146 VAL HA H 3.820 . 1 1490 146 146 VAL HB H 1.573 . 1 1491 146 146 VAL HG1 H 0.767 . 2 1492 146 146 VAL HG2 H 0.613 . 2 1493 146 146 VAL C C 174.540 . 1 1494 146 146 VAL CA C 61.668 . 1 1495 146 146 VAL CB C 31.120 . 1 1496 146 146 VAL CG1 C 21.731 . 1 1497 146 146 VAL CG2 C 20.873 . 1 1498 146 146 VAL N N 118.720 . 1 1499 147 147 LEU H H 8.003 . 1 1500 147 147 LEU HA H 3.770 . 1 1501 147 147 LEU HB2 H 1.384 . 2 1502 147 147 LEU HB3 H 1.561 . 2 1503 147 147 LEU HG H 1.556 . 1 1504 147 147 LEU HD1 H 0.813 . 2 1505 147 147 LEU HD2 H 0.549 . 2 1506 147 147 LEU C C 179.040 . 1 1507 147 147 LEU CA C 56.025 . 1 1508 147 147 LEU CB C 41.344 . 1 1509 147 147 LEU CG C 26.996 . 1 1510 147 147 LEU CD1 C 24.762 . 1 1511 147 147 LEU CD2 C 22.699 . 1 1512 147 147 LEU N N 125.620 . 1 1513 148 148 GLY H H 8.631 . 1 1514 148 148 GLY HA2 H 3.766 . 2 1515 148 148 GLY HA3 H 3.985 . 2 1516 148 148 GLY C C 173.670 . 1 1517 148 148 GLY CA C 45.882 . 1 1518 148 148 GLY N N 108.580 . 1 1519 149 149 VAL H H 7.260 . 1 1520 149 149 VAL HA H 5.572 . 1 1521 149 149 VAL HB H 1.858 . 1 1522 149 149 VAL HG1 H 0.841 . 2 1523 149 149 VAL HG2 H 0.668 . 2 1524 149 149 VAL C C 175.120 . 1 1525 149 149 VAL CA C 59.270 . 1 1526 149 149 VAL CB C 35.419 . 1 1527 149 149 VAL CG1 C 21.717 . 1 1528 149 149 VAL CG2 C 20.000 . 1 1529 149 149 VAL N N 112.940 . 1 1530 150 150 THR H H 8.821 . 1 1531 150 150 THR HA H 5.080 . 1 1532 150 150 THR HB H 4.138 . 1 1533 150 150 THR HG2 H 1.389 . 1 1534 150 150 THR C C 172.800 . 1 1535 150 150 THR CA C 61.490 . 1 1536 150 150 THR CB C 72.135 . 1 1537 150 150 THR CG2 C 22.075 . 1 1538 150 150 THR N N 119.480 . 1 1539 151 151 SER H H 8.406 . 1 1540 151 151 SER HA H 5.374 . 1 1541 151 151 SER HB2 H 3.475 . 2 1542 151 151 SER HB3 H 3.813 . 2 1543 151 151 SER C C 171.350 . 1 1544 151 151 SER CA C 57.573 . 1 1545 151 151 SER CB C 67.367 . 1 1546 151 151 SER N N 120.970 . 1 1547 152 152 GLY H H 7.056 . 1 1548 152 152 GLY HA2 H 2.780 . 2 1549 152 152 GLY HA3 H 4.158 . 2 1550 152 152 GLY C C 181.100 . 1 1551 152 152 GLY CA C 45.069 . 1 1552 152 152 GLY N N 107.140 . 1 1553 153 153 PRO HA H 4.696 . 1 1554 153 153 PRO HB2 H 1.822 . 2 1555 153 153 PRO HB3 H 2.263 . 2 1556 153 153 PRO HG2 H 1.821 . 1 1557 153 153 PRO HG3 H 1.821 . 1 1558 153 153 PRO HD2 H 3.457 . 1 1559 153 153 PRO HD3 H 3.457 . 1 1560 153 153 PRO C C 175.260 . 1 1561 153 153 PRO CA C 61.589 . 1 1562 153 153 PRO CB C 32.822 . 1 1563 153 153 PRO CG C 26.369 . 1 1564 153 153 PRO CD C 48.810 . 1 1565 154 154 LYS H H 7.000 . 1 1566 154 154 LYS HA H 3.269 . 1 1567 154 154 LYS HB2 H 1.467 . 2 1568 154 154 LYS HB3 H 1.704 . 2 1569 154 154 LYS HG2 H 1.083 . 2 1570 154 154 LYS HG3 H 1.132 . 2 1571 154 154 LYS HD2 H 1.787 . 2 1572 154 154 LYS HD3 H 1.852 . 2 1573 154 154 LYS HE2 H 2.949 . 2 1574 154 154 LYS HE3 H 3.102 . 2 1575 154 154 LYS C C 173.630 . 1 1576 154 154 LYS CA C 59.254 . 1 1577 154 154 LYS CB C 33.708 . 1 1578 154 154 LYS CG C 24.045 . 1 1579 154 154 LYS CD C 29.240 . 1 1580 154 154 LYS CE C 42.495 . 1 1581 154 154 LYS N N 117.559 . 1 1582 155 155 GLN H H 6.920 . 1 1583 155 155 GLN HA H 4.051 . 1 1584 155 155 GLN HB2 H 1.756 . 2 1585 155 155 GLN HB3 H 1.770 . 2 1586 155 155 GLN HG2 H 2.346 . 2 1587 155 155 GLN HG3 H 2.353 . 2 1588 155 155 GLN HE21 H 6.883 . 1 1589 155 155 GLN HE22 H 7.546 . 1 1590 155 155 GLN C C 174.900 . 1 1591 155 155 GLN CA C 54.806 . 1 1592 155 155 GLN CB C 29.231 . 1 1593 155 155 GLN CG C 33.449 . 1 1594 155 155 GLN N N 112.410 . 1 1595 155 155 GLN NE2 N 112.880 . 1 1596 156 156 PHE H H 7.004 . 1 1597 156 156 PHE HA H 4.036 . 1 1598 156 156 PHE HB2 H 2.574 . 2 1599 156 156 PHE HB3 H 3.406 . 2 1600 156 156 PHE HD1 H 7.465 . 3 1601 156 156 PHE HD2 H 7.465 . 3 1602 156 156 PHE HE1 H 7.178 . 3 1603 156 156 PHE HE2 H 7.178 . 3 1604 156 156 PHE HZ H 6.789 . 1 1605 156 156 PHE C C 179.010 . 1 1606 156 156 PHE CA C 59.626 . 1 1607 156 156 PHE CB C 38.721 . 1 1608 156 156 PHE CD1 C 132.230 . 3 1609 156 156 PHE CD2 C 132.230 . 3 1610 156 156 PHE CE1 C 129.620 . 3 1611 156 156 PHE CE2 C 129.620 . 3 1612 156 156 PHE CZ C 128.870 . 1 1613 156 156 PHE N N 120.230 . 1 1614 157 157 CYS H H 10.863 . 1 1615 157 157 CYS HA H 4.533 . 1 1616 157 157 CYS HB2 H 2.779 . 2 1617 157 157 CYS HB3 H 3.242 . 2 1618 157 157 CYS C C 176.330 . 1 1619 157 157 CYS CA C 54.562 . 1 1620 157 157 CYS CB C 34.873 . 1 1621 157 157 CYS N N 121.440 . 1 1622 158 158 ASP H H 8.951 . 1 1623 158 158 ASP HA H 4.638 . 1 1624 158 158 ASP HB2 H 2.896 . 2 1625 158 158 ASP HB3 H 3.020 . 2 1626 158 158 ASP C C 175.920 . 1 1627 158 158 ASP CA C 53.352 . 1 1628 158 158 ASP CB C 38.685 . 1 1629 158 158 ASP N N 115.780 . 1 1630 159 159 GLU H H 7.489 . 1 1631 159 159 GLU HA H 4.577 . 1 1632 159 159 GLU HB2 H 1.843 . 2 1633 159 159 GLU HB3 H 2.419 . 2 1634 159 159 GLU HG2 H 2.242 . 2 1635 159 159 GLU HG3 H 2.235 . 2 1636 159 159 GLU C C 176.530 . 1 1637 159 159 GLU CA C 55.074 . 1 1638 159 159 GLU CB C 30.470 . 1 1639 159 159 GLU CG C 36.136 . 1 1640 159 159 GLU N N 119.360 . 1 1641 160 160 GLY H H 7.955 . 1 1642 160 160 GLY HA2 H 4.215 . 2 1643 160 160 GLY HA3 H 3.744 . 2 1644 160 160 GLY C C 175.390 . 1 1645 160 160 GLY CA C 45.283 . 1 1646 160 160 GLY N N 107.220 . 1 1647 161 161 GLY H H 8.006 . 1 1648 161 161 GLY HA2 H 3.646 . 2 1649 161 161 GLY HA3 H 3.823 . 2 1650 161 161 GLY C C 173.990 . 1 1651 161 161 GLY CA C 46.072 . 1 1652 161 161 GLY N N 108.190 . 1 stop_ save_