data_26800 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignments of a VapC family toxin from Clostridium thermocellum ; _BMRB_accession_number 26800 _BMRB_flat_file_name bmr26800.str _Entry_type original _Submission_date 2016-05-13 _Accession_date 2016-05-13 _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 Wang Chen . . 2 Xuan Jinsong . . 3 Cui Qiu . . 4 Feng Yingang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 799 "13C chemical shifts" 625 "15N chemical shifts" 143 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-10-26 update BMRB 'update entry citation' 2016-08-31 original author 'original release' stop_ _Original_release_date 2016-08-31 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Resonance assignments of a VapC family toxin from Clostridium thermocellum ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27386855 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Chen . . 2 Xuan Jinsong . . 3 Cui Qiu . . 4 Feng Yingang . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 10 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 367 _Page_last 371 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'VapC family toxin' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'VapC family toxin' $CtVapC-D92A 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_CtVapC-D92A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CtVapC-D92A _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 142 _Mol_residue_sequence ; MRVLIDTNILISASLSCEGT PYQAYIKAVTHPNHGMVCDQ NIDELRRVYNRKFPHKIQAL ERFLAIALTVLEVVPTPAVD VSDEALVRDASARPILRAAI AAKADVLVTGDRDFLESGIT NPKIVTAAEFLQMELEHHHH HH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ARG 3 3 VAL 4 4 LEU 5 5 ILE 6 6 ASP 7 7 THR 8 8 ASN 9 9 ILE 10 10 LEU 11 11 ILE 12 12 SER 13 13 ALA 14 14 SER 15 15 LEU 16 16 SER 17 17 CYS 18 18 GLU 19 19 GLY 20 20 THR 21 21 PRO 22 22 TYR 23 23 GLN 24 24 ALA 25 25 TYR 26 26 ILE 27 27 LYS 28 28 ALA 29 29 VAL 30 30 THR 31 31 HIS 32 32 PRO 33 33 ASN 34 34 HIS 35 35 GLY 36 36 MET 37 37 VAL 38 38 CYS 39 39 ASP 40 40 GLN 41 41 ASN 42 42 ILE 43 43 ASP 44 44 GLU 45 45 LEU 46 46 ARG 47 47 ARG 48 48 VAL 49 49 TYR 50 50 ASN 51 51 ARG 52 52 LYS 53 53 PHE 54 54 PRO 55 55 HIS 56 56 LYS 57 57 ILE 58 58 GLN 59 59 ALA 60 60 LEU 61 61 GLU 62 62 ARG 63 63 PHE 64 64 LEU 65 65 ALA 66 66 ILE 67 67 ALA 68 68 LEU 69 69 THR 70 70 VAL 71 71 LEU 72 72 GLU 73 73 VAL 74 74 VAL 75 75 PRO 76 76 THR 77 77 PRO 78 78 ALA 79 79 VAL 80 80 ASP 81 81 VAL 82 82 SER 83 83 ASP 84 84 GLU 85 85 ALA 86 86 LEU 87 87 VAL 88 88 ARG 89 89 ASP 90 90 ALA 91 91 SER 92 92 ALA 93 93 ARG 94 94 PRO 95 95 ILE 96 96 LEU 97 97 ARG 98 98 ALA 99 99 ALA 100 100 ILE 101 101 ALA 102 102 ALA 103 103 LYS 104 104 ALA 105 105 ASP 106 106 VAL 107 107 LEU 108 108 VAL 109 109 THR 110 110 GLY 111 111 ASP 112 112 ARG 113 113 ASP 114 114 PHE 115 115 LEU 116 116 GLU 117 117 SER 118 118 GLY 119 119 ILE 120 120 THR 121 121 ASN 122 122 PRO 123 123 LYS 124 124 ILE 125 125 VAL 126 126 THR 127 127 ALA 128 128 ALA 129 129 GLU 130 130 PHE 131 131 LEU 132 132 GLN 133 133 MET 134 134 GLU 135 135 LEU 136 136 GLU 137 137 HIS 138 138 HIS 139 139 HIS 140 140 HIS 141 141 HIS 142 142 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 UNP A3DFW5_CLOTH . . . . . . 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 _Gene_mnemonic $CtVapC-D92A firmicutes 1515 Bacteria . Clostridium thermocellum ATCC27405 Cthe_1620 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 $CtVapC-D92A 'recombinant technology' . Escherichia coli BL21(DE3) pET30a 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 $CtVapC-D92A 1.0 mM '[U-13C; U-15N]' 'sodium phosphate' 50 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' EDTA 2 mM 'natural abundance' DTT 10 mM 'natural abundance' DSS 0.01 w/v 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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_HBHANH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_CCH-COSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-COSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _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' 170 . mM pH 5.75 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CA)CO' '3D HBHA(CO)NH' '3D HBHANH' '3D HCCH-TOCSY' '3D CCH-TOCSY' '3D CCH-COSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' 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 'VapC family toxin' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.2240 0.02 1 2 1 1 MET HB2 H 2.0800 0.02 2 3 1 1 MET HB3 H 2.0800 0.02 2 4 1 1 MET HG2 H 2.6240 0.02 2 5 1 1 MET HG3 H 2.5690 0.02 2 6 1 1 MET HE H 2.0920 0.02 1 7 1 1 MET C C 172.4010 0.3 1 8 1 1 MET CA C 55.6830 0.3 1 9 1 1 MET CB C 34.7130 0.3 1 10 1 1 MET CG C 31.3300 0.3 1 11 1 1 MET CE C 17.4000 0.3 1 12 2 2 ARG H H 10.4330 0.02 1 13 2 2 ARG HA H 5.1250 0.02 1 14 2 2 ARG HB2 H 2.0310 0.02 2 15 2 2 ARG HB3 H 2.0310 0.02 2 16 2 2 ARG HG2 H 1.7980 0.02 2 17 2 2 ARG HG3 H 1.7980 0.02 2 18 2 2 ARG HD2 H 3.1920 0.02 2 19 2 2 ARG HD3 H 3.1920 0.02 2 20 2 2 ARG C C 176.0310 0.3 1 21 2 2 ARG CA C 56.3980 0.3 1 22 2 2 ARG CB C 31.2520 0.3 1 23 2 2 ARG CG C 27.8600 0.3 1 24 2 2 ARG CD C 43.4600 0.3 1 25 2 2 ARG N N 125.8360 0.2 1 26 3 3 VAL H H 9.1270 0.02 1 27 3 3 VAL HA H 4.6570 0.02 1 28 3 3 VAL HB H 2.0000 0.02 1 29 3 3 VAL HG1 H 0.7890 0.02 2 30 3 3 VAL HG2 H 0.3270 0.02 2 31 3 3 VAL C C 173.0870 0.3 1 32 3 3 VAL CA C 61.0820 0.3 1 33 3 3 VAL CB C 34.4510 0.3 1 34 3 3 VAL CG1 C 20.6430 0.3 2 35 3 3 VAL CG2 C 21.8300 0.3 2 36 3 3 VAL N N 128.2720 0.2 1 37 4 4 LEU H H 8.9180 0.02 1 38 4 4 LEU HA H 5.0890 0.02 1 39 4 4 LEU HB2 H 1.1170 0.02 2 40 4 4 LEU HB3 H 1.7430 0.02 2 41 4 4 LEU HG H 1.5680 0.02 1 42 4 4 LEU HD1 H 0.7470 0.02 2 43 4 4 LEU HD2 H 0.7630 0.02 2 44 4 4 LEU C C 174.9270 0.3 1 45 4 4 LEU CA C 53.9860 0.3 1 46 4 4 LEU CB C 43.3680 0.3 1 47 4 4 LEU CG C 28.8120 0.3 1 48 4 4 LEU CD1 C 25.3810 0.3 2 49 4 4 LEU CD2 C 24.9380 0.3 2 50 4 4 LEU N N 130.4450 0.2 1 51 5 5 ILE H H 8.2920 0.02 1 52 5 5 ILE HA H 4.2480 0.02 1 53 5 5 ILE HB H 1.7030 0.02 1 54 5 5 ILE HG12 H 0.7890 0.02 2 55 5 5 ILE HG13 H 1.6380 0.02 2 56 5 5 ILE HG2 H 0.8610 0.02 1 57 5 5 ILE HD1 H 0.7890 0.02 1 58 5 5 ILE C C 172.4750 0.3 1 59 5 5 ILE CA C 60.6310 0.3 1 60 5 5 ILE CB C 39.7630 0.3 1 61 5 5 ILE CG1 C 26.7960 0.3 1 62 5 5 ILE CG2 C 18.9610 0.3 1 63 5 5 ILE CD1 C 15.1370 0.3 1 64 5 5 ILE N N 125.5980 0.2 1 65 6 6 ASP H H 8.0500 0.02 1 66 6 6 ASP HA H 4.9650 0.02 1 67 6 6 ASP HB2 H 3.2880 0.02 2 68 6 6 ASP HB3 H 2.9100 0.02 2 69 6 6 ASP C C 177.9760 0.3 1 70 6 6 ASP CA C 52.3710 0.3 1 71 6 6 ASP CB C 43.2830 0.3 1 72 6 6 ASP N N 119.3720 0.2 1 73 7 7 THR H H 9.0190 0.02 1 74 7 7 THR HA H 3.6760 0.02 1 75 7 7 THR HB H 4.1780 0.02 1 76 7 7 THR HG2 H 1.3270 0.02 1 77 7 7 THR C C 175.5770 0.3 1 78 7 7 THR CA C 66.5850 0.3 1 79 7 7 THR CB C 69.1630 0.3 1 80 7 7 THR CG2 C 22.9460 0.3 1 81 7 7 THR N N 116.0530 0.2 1 82 8 8 ASN H H 8.6640 0.02 1 83 8 8 ASN HA H 4.2690 0.02 1 84 8 8 ASN HB2 H 2.8320 0.02 2 85 8 8 ASN HB3 H 2.8320 0.02 2 86 8 8 ASN C C 177.0280 0.3 1 87 8 8 ASN CA C 57.4940 0.3 1 88 8 8 ASN CB C 37.1150 0.3 1 89 8 8 ASN N N 116.8070 0.2 1 90 9 9 ILE H H 7.2890 0.02 1 91 9 9 ILE HA H 3.7670 0.02 1 92 9 9 ILE HB H 2.2730 0.02 1 93 9 9 ILE HG12 H 1.2580 0.02 2 94 9 9 ILE HG13 H 1.5370 0.02 2 95 9 9 ILE HG2 H 0.8610 0.02 1 96 9 9 ILE HD1 H 0.7700 0.02 1 97 9 9 ILE C C 176.9130 0.3 1 98 9 9 ILE CA C 62.6400 0.3 1 99 9 9 ILE CB C 35.3940 0.3 1 100 9 9 ILE CG1 C 28.0370 0.3 1 101 9 9 ILE CG2 C 18.2970 0.3 1 102 9 9 ILE CD1 C 11.1420 0.3 1 103 9 9 ILE N N 119.5190 0.2 1 104 10 10 LEU H H 7.2090 0.02 1 105 10 10 LEU HA H 3.7330 0.02 1 106 10 10 LEU HB2 H 1.4540 0.02 2 107 10 10 LEU HB3 H 2.0540 0.02 2 108 10 10 LEU HG H 1.7780 0.02 1 109 10 10 LEU HD1 H 0.8890 0.02 2 110 10 10 LEU HD2 H 0.7620 0.02 2 111 10 10 LEU C C 178.7840 0.3 1 112 10 10 LEU CA C 57.6690 0.3 1 113 10 10 LEU CB C 42.8300 0.3 1 114 10 10 LEU CG C 26.2660 0.3 1 115 10 10 LEU CD1 C 25.9800 0.3 2 116 10 10 LEU CD2 C 22.3700 0.3 2 117 10 10 LEU N N 117.6730 0.2 1 118 11 11 ILE H H 8.7440 0.02 1 119 11 11 ILE HA H 3.3800 0.02 1 120 11 11 ILE HB H 1.8170 0.02 1 121 11 11 ILE HG12 H 0.9430 0.02 2 122 11 11 ILE HG13 H 1.8610 0.02 2 123 11 11 ILE HG2 H 0.8570 0.02 1 124 11 11 ILE HD1 H 0.9410 0.02 1 125 11 11 ILE C C 178.4130 0.3 1 126 11 11 ILE CA C 65.8760 0.3 1 127 11 11 ILE CB C 38.3020 0.3 1 128 11 11 ILE CG1 C 29.8080 0.3 1 129 11 11 ILE CG2 C 17.3950 0.3 1 130 11 11 ILE CD1 C 15.1980 0.3 1 131 11 11 ILE N N 117.9950 0.2 1 132 12 12 SER H H 7.4200 0.02 1 133 12 12 SER HA H 3.8380 0.02 1 134 12 12 SER HB2 H 3.9330 0.02 2 135 12 12 SER HB3 H 3.9330 0.02 2 136 12 12 SER C C 176.2780 0.3 1 137 12 12 SER CA C 63.5900 0.3 1 138 12 12 SER CB C 63.1600 0.3 1 139 12 12 SER N N 114.6440 0.2 1 140 13 13 ALA H H 8.7150 0.02 1 141 13 13 ALA HA H 4.2280 0.02 1 142 13 13 ALA HB H 1.1100 0.02 1 143 13 13 ALA C C 176.7470 0.3 1 144 13 13 ALA CA C 54.5800 0.3 1 145 13 13 ALA CB C 18.1000 0.3 1 146 13 13 ALA N N 122.0240 0.2 1 147 14 14 SER H H 7.3990 0.02 1 148 14 14 SER HA H 3.0270 0.02 1 149 14 14 SER HB2 H 2.8440 0.02 2 150 14 14 SER HB3 H 3.0910 0.02 2 151 14 14 SER C C 174.9590 0.3 1 152 14 14 SER CA C 59.9200 0.3 1 153 14 14 SER CB C 62.7600 0.3 1 154 14 14 SER N N 109.5230 0.2 1 155 15 15 LEU H H 7.1210 0.02 1 156 15 15 LEU HA H 4.1160 0.02 1 157 15 15 LEU HB2 H 1.2240 0.02 2 158 15 15 LEU HB3 H 1.6160 0.02 2 159 15 15 LEU HG H 1.4760 0.02 1 160 15 15 LEU HD1 H 0.1550 0.02 2 161 15 15 LEU HD2 H 0.3190 0.02 2 162 15 15 LEU C C 178.1950 0.3 1 163 15 15 LEU CA C 56.3100 0.3 1 164 15 15 LEU CB C 44.2460 0.3 1 165 15 15 LEU CG C 26.0200 0.3 1 166 15 15 LEU CD1 C 22.1710 0.3 2 167 15 15 LEU CD2 C 25.8300 0.3 2 168 15 15 LEU N N 122.8010 0.2 1 169 16 16 SER H H 7.5930 0.02 1 170 16 16 SER HA H 4.4600 0.02 1 171 16 16 SER HB2 H 3.6210 0.02 2 172 16 16 SER HB3 H 3.8290 0.02 2 173 16 16 SER C C 173.1960 0.3 1 174 16 16 SER CA C 57.2100 0.3 1 175 16 16 SER CB C 64.6590 0.3 1 176 16 16 SER N N 112.0060 0.2 1 177 17 17 CYS H H 8.2420 0.02 1 178 17 17 CYS HA H 3.8590 0.02 1 179 17 17 CYS HB2 H 2.3760 0.02 2 180 17 17 CYS HB3 H 2.3760 0.02 2 181 17 17 CYS C C 173.7410 0.3 1 182 17 17 CYS CA C 57.2570 0.3 1 183 17 17 CYS CB C 26.4420 0.3 1 184 17 17 CYS N N 121.1200 0.2 1 185 18 18 GLU H H 7.9430 0.02 1 186 18 18 GLU HA H 4.4180 0.02 1 187 18 18 GLU HB2 H 1.7830 0.02 2 188 18 18 GLU HB3 H 2.0450 0.02 2 189 18 18 GLU HG2 H 2.1460 0.02 2 190 18 18 GLU HG3 H 2.1460 0.02 2 191 18 18 GLU C C 176.5360 0.3 1 192 18 18 GLU CA C 56.0610 0.3 1 193 18 18 GLU CB C 31.2460 0.3 1 194 18 18 GLU CG C 36.0060 0.3 1 195 18 18 GLU N N 119.0770 0.2 1 196 19 19 GLY H H 8.1970 0.02 1 197 19 19 GLY HA2 H 4.1320 0.02 2 198 19 19 GLY HA3 H 4.3750 0.02 2 199 19 19 GLY C C 173.9280 0.3 1 200 19 19 GLY CA C 44.2000 0.3 1 201 19 19 GLY N N 108.6780 0.2 1 202 20 20 THR H H 8.7230 0.02 1 203 20 20 THR HA H 4.0690 0.02 1 204 20 20 THR HB H 4.2840 0.02 1 205 20 20 THR HG2 H 1.1990 0.02 1 206 20 20 THR C C 173.9500 0.3 1 207 20 20 THR CA C 67.6900 0.3 1 208 20 20 THR CB C 67.6700 0.3 1 209 20 20 THR CG2 C 22.5000 0.3 1 210 20 20 THR N N 115.1450 0.2 1 211 21 21 PRO HA H 4.0620 0.02 1 212 21 21 PRO HB2 H 2.3830 0.02 2 213 21 21 PRO HB3 H 1.9000 0.02 2 214 21 21 PRO HG2 H 2.2310 0.02 2 215 21 21 PRO HG3 H 1.9340 0.02 2 216 21 21 PRO HD2 H 3.9960 0.02 2 217 21 21 PRO HD3 H 3.7060 0.02 2 218 21 21 PRO C C 177.7200 0.3 1 219 21 21 PRO CA C 67.3470 0.3 1 220 21 21 PRO CB C 31.8610 0.3 1 221 21 21 PRO CG C 28.5800 0.3 1 222 21 21 PRO CD C 50.2400 0.3 1 223 22 22 TYR H H 7.5230 0.02 1 224 22 22 TYR HA H 4.1400 0.02 1 225 22 22 TYR HB2 H 2.8090 0.02 2 226 22 22 TYR HB3 H 3.3750 0.02 2 227 22 22 TYR HD1 H 7.1600 0.02 3 228 22 22 TYR HD2 H 7.1600 0.02 3 229 22 22 TYR HE1 H 6.8880 0.02 3 230 22 22 TYR HE2 H 6.8880 0.02 3 231 22 22 TYR C C 176.6870 0.3 1 232 22 22 TYR CA C 62.5100 0.3 1 233 22 22 TYR CB C 38.5600 0.3 1 234 22 22 TYR CD1 C 133.8000 0.3 3 235 22 22 TYR CD2 C 133.8000 0.3 3 236 22 22 TYR CE1 C 118.2000 0.3 3 237 22 22 TYR CE2 C 118.2000 0.3 3 238 22 22 TYR N N 116.3410 0.2 1 239 23 23 GLN H H 7.9240 0.02 1 240 23 23 GLN HA H 3.9100 0.02 1 241 23 23 GLN HB2 H 2.1460 0.02 2 242 23 23 GLN HB3 H 2.2650 0.02 2 243 23 23 GLN HG2 H 2.5500 0.02 2 244 23 23 GLN HG3 H 2.6250 0.02 2 245 23 23 GLN HE21 H 7.4720 0.02 2 246 23 23 GLN HE22 H 6.8490 0.02 2 247 23 23 GLN C C 179.2930 0.3 1 248 23 23 GLN CA C 58.7360 0.3 1 249 23 23 GLN CB C 28.6010 0.3 1 250 23 23 GLN CG C 34.0140 0.3 1 251 23 23 GLN N N 116.0710 0.2 1 252 23 23 GLN NE2 N 111.4000 0.2 1 253 24 24 ALA H H 8.7680 0.02 1 254 24 24 ALA HA H 4.1240 0.02 1 255 24 24 ALA HB H 1.6430 0.02 1 256 24 24 ALA C C 177.7600 0.3 1 257 24 24 ALA CA C 55.7470 0.3 1 258 24 24 ALA CB C 18.4390 0.3 1 259 24 24 ALA N N 122.5090 0.2 1 260 25 25 TYR H H 8.1160 0.02 1 261 25 25 TYR HA H 3.8700 0.02 1 262 25 25 TYR HB2 H 3.1880 0.02 2 263 25 25 TYR HB3 H 2.7960 0.02 2 264 25 25 TYR HD1 H 6.6230 0.02 3 265 25 25 TYR HD2 H 6.6230 0.02 3 266 25 25 TYR HE1 H 6.5000 0.02 3 267 25 25 TYR HE2 H 6.5000 0.02 3 268 25 25 TYR C C 175.5390 0.3 1 269 25 25 TYR CA C 61.7930 0.3 1 270 25 25 TYR CB C 37.8700 0.3 1 271 25 25 TYR CD1 C 132.3600 0.3 3 272 25 25 TYR CD2 C 132.3600 0.3 3 273 25 25 TYR CE1 C 117.9000 0.3 3 274 25 25 TYR CE2 C 117.9000 0.3 3 275 25 25 TYR N N 119.4420 0.2 1 276 26 26 ILE H H 8.0980 0.02 1 277 26 26 ILE HA H 3.3970 0.02 1 278 26 26 ILE HB H 1.7680 0.02 1 279 26 26 ILE HG12 H 1.1330 0.02 2 280 26 26 ILE HG13 H 1.1330 0.02 2 281 26 26 ILE HG2 H 0.7560 0.02 1 282 26 26 ILE HD1 H 0.5730 0.02 1 283 26 26 ILE C C 179.8980 0.3 1 284 26 26 ILE CA C 61.3420 0.3 1 285 26 26 ILE CB C 35.8730 0.3 1 286 26 26 ILE CG1 C 27.2620 0.3 1 287 26 26 ILE CG2 C 17.6330 0.3 1 288 26 26 ILE CD1 C 9.5140 0.3 1 289 26 26 ILE N N 116.6780 0.2 1 290 27 27 LYS H H 8.0530 0.02 1 291 27 27 LYS HA H 3.9730 0.02 1 292 27 27 LYS HB2 H 1.8510 0.02 2 293 27 27 LYS HB3 H 1.8510 0.02 2 294 27 27 LYS HG2 H 1.0130 0.02 2 295 27 27 LYS HG3 H 1.3510 0.02 2 296 27 27 LYS HD2 H 1.4130 0.02 2 297 27 27 LYS HD3 H 0.8940 0.02 2 298 27 27 LYS HE2 H 2.5000 0.02 2 299 27 27 LYS HE3 H 2.6670 0.02 2 300 27 27 LYS C C 178.7670 0.3 1 301 27 27 LYS CA C 59.1400 0.3 1 302 27 27 LYS CB C 32.2490 0.3 1 303 27 27 LYS CG C 25.4600 0.3 1 304 27 27 LYS CD C 29.5100 0.3 1 305 27 27 LYS CE C 42.0900 0.3 1 306 27 27 LYS N N 121.8130 0.2 1 307 28 28 ALA H H 8.3450 0.02 1 308 28 28 ALA HA H 3.9840 0.02 1 309 28 28 ALA HB H 1.3380 0.02 1 310 28 28 ALA C C 175.1380 0.3 1 311 28 28 ALA CA C 55.6200 0.3 1 312 28 28 ALA CB C 19.5360 0.3 1 313 28 28 ALA N N 121.8320 0.2 1 314 29 29 VAL H H 6.8760 0.02 1 315 29 29 VAL HA H 4.4180 0.02 1 316 29 29 VAL HB H 2.2090 0.02 1 317 29 29 VAL HG1 H 0.5310 0.02 2 318 29 29 VAL HG2 H 0.5150 0.02 2 319 29 29 VAL C C 177.5320 0.3 1 320 29 29 VAL CA C 59.8680 0.3 1 321 29 29 VAL CB C 31.6710 0.3 1 322 29 29 VAL CG1 C 21.8390 0.3 2 323 29 29 VAL CG2 C 17.4120 0.3 2 324 29 29 VAL N N 100.1940 0.2 1 325 30 30 THR H H 7.2720 0.02 1 326 30 30 THR HA H 4.2700 0.02 1 327 30 30 THR HB H 4.0640 0.02 1 328 30 30 THR HG2 H 1.3590 0.02 1 329 30 30 THR C C 173.9030 0.3 1 330 30 30 THR CA C 62.5950 0.3 1 331 30 30 THR CB C 70.0560 0.3 1 332 30 30 THR CG2 C 20.8430 0.3 1 333 30 30 THR N N 119.2950 0.2 1 334 31 31 HIS H H 8.9650 0.02 1 335 31 31 HIS HA H 4.5000 0.02 1 336 31 31 HIS HB2 H 3.1020 0.02 2 337 31 31 HIS HB3 H 3.2560 0.02 2 338 31 31 HIS HD2 H 7.1470 0.02 1 339 31 31 HIS HE1 H 8.0800 0.02 1 340 31 31 HIS C C 174.1170 0.3 1 341 31 31 HIS CA C 56.5030 0.3 1 342 31 31 HIS CB C 29.8520 0.3 1 343 31 31 HIS CD2 C 119.8030 0.3 1 344 31 31 HIS CE1 C 138.4250 0.3 1 345 31 31 HIS N N 128.8450 0.2 1 346 32 32 PRO HA H 3.6420 0.02 1 347 32 32 PRO HB2 H 2.1770 0.02 2 348 32 32 PRO HB3 H 1.5480 0.02 2 349 32 32 PRO HG2 H 1.7850 0.02 2 350 32 32 PRO HG3 H 1.4500 0.02 2 351 32 32 PRO HD2 H 3.4100 0.02 2 352 32 32 PRO HD3 H 3.3500 0.02 2 353 32 32 PRO C C 175.8770 0.3 1 354 32 32 PRO CA C 63.5020 0.3 1 355 32 32 PRO CB C 33.3810 0.3 1 356 32 32 PRO CG C 24.6060 0.3 1 357 32 32 PRO CD C 49.8000 0.3 1 358 33 33 ASN H H 9.0860 0.02 1 359 33 33 ASN HA H 5.1300 0.02 1 360 33 33 ASN HB2 H 2.8440 0.02 2 361 33 33 ASN HB3 H 2.9740 0.02 2 362 33 33 ASN HD21 H 7.6630 0.02 2 363 33 33 ASN HD22 H 7.0600 0.02 2 364 33 33 ASN C C 172.7240 0.3 1 365 33 33 ASN CA C 53.3290 0.3 1 366 33 33 ASN CB C 39.6080 0.3 1 367 33 33 ASN N N 125.9940 0.2 1 368 33 33 ASN ND2 N 111.7100 0.2 1 369 34 34 HIS H H 8.5410 0.02 1 370 34 34 HIS HA H 4.9310 0.02 1 371 34 34 HIS HB2 H 3.0680 0.02 2 372 34 34 HIS HB3 H 3.1660 0.02 2 373 34 34 HIS HD2 H 6.9420 0.02 1 374 34 34 HIS HE1 H 8.6730 0.02 1 375 34 34 HIS C C 173.1510 0.3 1 376 34 34 HIS CA C 54.1840 0.3 1 377 34 34 HIS CB C 30.9700 0.3 1 378 34 34 HIS CD2 C 118.9900 0.3 1 379 34 34 HIS CE1 C 137.2700 0.3 1 380 34 34 HIS N N 118.9770 0.2 1 381 35 35 GLY H H 9.3220 0.02 1 382 35 35 GLY HA2 H 3.1170 0.02 2 383 35 35 GLY HA3 H 4.7370 0.02 2 384 35 35 GLY C C 173.3240 0.3 1 385 35 35 GLY CA C 45.3590 0.3 1 386 35 35 GLY N N 116.5150 0.2 1 387 36 36 MET H H 8.9760 0.02 1 388 36 36 MET HA H 5.6840 0.02 1 389 36 36 MET HB2 H 1.7900 0.02 2 390 36 36 MET HB3 H 2.0140 0.02 2 391 36 36 MET HG2 H 2.2870 0.02 2 392 36 36 MET HG3 H 2.3580 0.02 2 393 36 36 MET HE H 1.8260 0.02 1 394 36 36 MET C C 173.6270 0.3 1 395 36 36 MET CA C 53.9710 0.3 1 396 36 36 MET CB C 38.0570 0.3 1 397 36 36 MET CG C 31.1360 0.3 1 398 36 36 MET CE C 17.2000 0.3 1 399 36 36 MET N N 121.2310 0.2 1 400 37 37 VAL H H 8.8200 0.02 1 401 37 37 VAL HA H 4.6690 0.02 1 402 37 37 VAL HB H 2.3080 0.02 1 403 37 37 VAL HG1 H 1.1260 0.02 2 404 37 37 VAL HG2 H 0.7910 0.02 2 405 37 37 VAL C C 174.0290 0.3 1 406 37 37 VAL CA C 59.2850 0.3 1 407 37 37 VAL CB C 36.5420 0.3 1 408 37 37 VAL CG1 C 23.9420 0.3 2 409 37 37 VAL CG2 C 19.7360 0.3 2 410 37 37 VAL N N 113.1760 0.2 1 411 38 38 CYS H H 9.6130 0.02 1 412 38 38 CYS HA H 5.6150 0.02 1 413 38 38 CYS HB2 H 2.8530 0.02 2 414 38 38 CYS HB3 H 2.9430 0.02 2 415 38 38 CYS C C 176.6880 0.3 1 416 38 38 CYS CA C 56.6700 0.3 1 417 38 38 CYS CB C 29.8700 0.3 1 418 38 38 CYS N N 120.1430 0.2 1 419 39 39 ASP H H 8.8940 0.02 1 420 39 39 ASP HA H 4.0750 0.02 1 421 39 39 ASP HB2 H 2.8300 0.02 2 422 39 39 ASP HB3 H 2.6350 0.02 2 423 39 39 ASP C C 178.9640 0.3 1 424 39 39 ASP CA C 58.1700 0.3 1 425 39 39 ASP CB C 38.8750 0.3 1 426 39 39 ASP N N 126.5090 0.2 1 427 40 40 GLN H H 8.4710 0.02 1 428 40 40 GLN HA H 4.1780 0.02 1 429 40 40 GLN HB2 H 1.9200 0.02 2 430 40 40 GLN HB3 H 2.1800 0.02 2 431 40 40 GLN HG2 H 2.3520 0.02 2 432 40 40 GLN HG3 H 2.5520 0.02 2 433 40 40 GLN HE21 H 7.7010 0.02 2 434 40 40 GLN HE22 H 6.9030 0.02 2 435 40 40 GLN C C 178.3240 0.3 1 436 40 40 GLN CA C 59.0600 0.3 1 437 40 40 GLN CB C 28.2210 0.3 1 438 40 40 GLN CG C 33.9000 0.3 1 439 40 40 GLN N N 120.6490 0.2 1 440 40 40 GLN NE2 N 111.1300 0.2 1 441 41 41 ASN H H 7.8880 0.02 1 442 41 41 ASN HA H 4.5660 0.02 1 443 41 41 ASN HB2 H 2.7410 0.02 2 444 41 41 ASN HB3 H 3.0530 0.02 2 445 41 41 ASN HD21 H 8.1230 0.02 2 446 41 41 ASN HD22 H 6.3940 0.02 2 447 41 41 ASN C C 176.5970 0.3 1 448 41 41 ASN CA C 58.1400 0.3 1 449 41 41 ASN CB C 39.5090 0.3 1 450 41 41 ASN N N 115.9370 0.2 1 451 41 41 ASN ND2 N 107.6000 0.2 1 452 42 42 ILE H H 7.0860 0.02 1 453 42 42 ILE HA H 3.7050 0.02 1 454 42 42 ILE HB H 2.2280 0.02 1 455 42 42 ILE HG12 H 1.2380 0.02 2 456 42 42 ILE HG13 H 1.5490 0.02 2 457 42 42 ILE HG2 H 0.9700 0.02 1 458 42 42 ILE HD1 H 0.7540 0.02 1 459 42 42 ILE C C 177.5050 0.3 1 460 42 42 ILE CA C 63.6180 0.3 1 461 42 42 ILE CB C 36.0510 0.3 1 462 42 42 ILE CG1 C 27.5940 0.3 1 463 42 42 ILE CG2 C 17.5220 0.3 1 464 42 42 ILE CD1 C 11.0600 0.3 1 465 42 42 ILE N N 117.4940 0.2 1 466 43 43 ASP H H 7.6750 0.02 1 467 43 43 ASP HA H 4.3950 0.02 1 468 43 43 ASP HB2 H 2.7300 0.02 2 469 43 43 ASP HB3 H 2.7300 0.02 2 470 43 43 ASP C C 179.1790 0.3 1 471 43 43 ASP CA C 57.9720 0.3 1 472 43 43 ASP CB C 41.1320 0.3 1 473 43 43 ASP N N 119.8330 0.2 1 474 44 44 GLU H H 8.4560 0.02 1 475 44 44 GLU HA H 3.9730 0.02 1 476 44 44 GLU HB2 H 2.1000 0.02 2 477 44 44 GLU HB3 H 2.3930 0.02 2 478 44 44 GLU HG2 H 2.3620 0.02 2 479 44 44 GLU HG3 H 2.6630 0.02 2 480 44 44 GLU C C 178.3890 0.3 1 481 44 44 GLU CA C 59.5980 0.3 1 482 44 44 GLU CB C 30.6840 0.3 1 483 44 44 GLU CG C 36.8920 0.3 1 484 44 44 GLU N N 119.0420 0.2 1 485 45 45 LEU H H 8.0540 0.02 1 486 45 45 LEU HA H 3.9710 0.02 1 487 45 45 LEU HB2 H 1.7720 0.02 2 488 45 45 LEU HB3 H 2.3080 0.02 2 489 45 45 LEU HG H 1.7000 0.02 1 490 45 45 LEU HD1 H 0.9430 0.02 2 491 45 45 LEU HD2 H 0.9320 0.02 2 492 45 45 LEU C C 177.9950 0.3 1 493 45 45 LEU CA C 58.5700 0.3 1 494 45 45 LEU CB C 42.8650 0.3 1 495 45 45 LEU CG C 27.0410 0.3 1 496 45 45 LEU CD1 C 24.7170 0.3 2 497 45 45 LEU CD2 C 26.8300 0.3 2 498 45 45 LEU N N 120.7180 0.2 1 499 46 46 ARG H H 8.0630 0.02 1 500 46 46 ARG HA H 3.8470 0.02 1 501 46 46 ARG HB2 H 1.9620 0.02 2 502 46 46 ARG HB3 H 1.8390 0.02 2 503 46 46 ARG HG2 H 1.4990 0.02 2 504 46 46 ARG HG3 H 1.8410 0.02 2 505 46 46 ARG HD2 H 3.1770 0.02 2 506 46 46 ARG HD3 H 3.1770 0.02 2 507 46 46 ARG HE H 7.6650 0.02 1 508 46 46 ARG C C 178.8900 0.3 1 509 46 46 ARG CA C 60.5470 0.3 1 510 46 46 ARG CB C 29.8410 0.3 1 511 46 46 ARG CG C 29.1000 0.3 1 512 46 46 ARG CD C 43.4220 0.3 1 513 46 46 ARG N N 116.4550 0.2 1 514 46 46 ARG NE N 84.4700 0.2 1 515 47 47 ARG H H 8.1870 0.02 1 516 47 47 ARG HA H 4.0750 0.02 1 517 47 47 ARG HB2 H 1.9200 0.02 2 518 47 47 ARG HB3 H 2.0330 0.02 2 519 47 47 ARG HG2 H 1.6190 0.02 2 520 47 47 ARG HG3 H 1.8640 0.02 2 521 47 47 ARG HD2 H 3.1770 0.02 2 522 47 47 ARG HD3 H 3.2730 0.02 2 523 47 47 ARG HE H 7.4600 0.02 1 524 47 47 ARG C C 179.4690 0.3 1 525 47 47 ARG CA C 60.2420 0.3 1 526 47 47 ARG CB C 30.5060 0.3 1 527 47 47 ARG CG C 28.2590 0.3 1 528 47 47 ARG CD C 43.7330 0.3 1 529 47 47 ARG N N 119.9310 0.2 1 530 47 47 ARG NE N 85.1500 0.2 1 531 48 48 VAL H H 8.5690 0.02 1 532 48 48 VAL HA H 3.6730 0.02 1 533 48 48 VAL HB H 2.2590 0.02 1 534 48 48 VAL HG1 H 1.1020 0.02 2 535 48 48 VAL HG2 H 0.9410 0.02 2 536 48 48 VAL C C 178.6040 0.3 1 537 48 48 VAL CA C 67.0050 0.3 1 538 48 48 VAL CB C 31.3820 0.3 1 539 48 48 VAL CG1 C 23.0560 0.3 2 540 48 48 VAL CG2 C 21.0640 0.3 2 541 48 48 VAL N N 120.2030 0.2 1 542 49 49 TYR H H 8.1840 0.02 1 543 49 49 TYR HA H 4.0530 0.02 1 544 49 49 TYR HB2 H 2.7230 0.02 2 545 49 49 TYR HB3 H 3.1970 0.02 2 546 49 49 TYR HD1 H 7.1600 0.02 3 547 49 49 TYR HD2 H 7.1600 0.02 3 548 49 49 TYR HE1 H 6.5900 0.02 3 549 49 49 TYR HE2 H 6.5900 0.02 3 550 49 49 TYR C C 178.2920 0.3 1 551 49 49 TYR CA C 63.1710 0.3 1 552 49 49 TYR CB C 38.7560 0.3 1 553 49 49 TYR CD1 C 134.0000 0.3 3 554 49 49 TYR CD2 C 134.0000 0.3 3 555 49 49 TYR CE1 C 118.1700 0.3 3 556 49 49 TYR CE2 C 118.1700 0.3 3 557 49 49 TYR N N 120.6700 0.2 1 558 50 50 ASN H H 8.1260 0.02 1 559 50 50 ASN HA H 4.3150 0.02 1 560 50 50 ASN HB2 H 2.7700 0.02 2 561 50 50 ASN HB3 H 2.8890 0.02 2 562 50 50 ASN HD21 H 7.5100 0.02 2 563 50 50 ASN HD22 H 6.9010 0.02 2 564 50 50 ASN C C 176.3260 0.3 1 565 50 50 ASN CA C 56.6130 0.3 1 566 50 50 ASN CB C 38.8900 0.3 1 567 50 50 ASN N N 114.0360 0.2 1 568 50 50 ASN ND2 N 111.8400 0.2 1 569 51 51 ARG H H 7.6280 0.02 1 570 51 51 ARG HA H 4.2350 0.02 1 571 51 51 ARG HB2 H 1.8290 0.02 2 572 51 51 ARG HB3 H 1.8290 0.02 2 573 51 51 ARG HG2 H 1.6990 0.02 2 574 51 51 ARG HG3 H 1.6170 0.02 2 575 51 51 ARG HD2 H 3.1790 0.02 2 576 51 51 ARG HD3 H 3.1790 0.02 2 577 51 51 ARG C C 177.6060 0.3 1 578 51 51 ARG CA C 57.9580 0.3 1 579 51 51 ARG CB C 31.6390 0.3 1 580 51 51 ARG CG C 27.3730 0.3 1 581 51 51 ARG CD C 43.4220 0.3 1 582 51 51 ARG N N 115.1460 0.2 1 583 52 52 LYS H H 8.5350 0.02 1 584 52 52 LYS HA H 4.1210 0.02 1 585 52 52 LYS HB2 H 0.7910 0.02 2 586 52 52 LYS HB3 H 0.8980 0.02 2 587 52 52 LYS HG2 H 0.8970 0.02 2 588 52 52 LYS HG3 H 1.1180 0.02 2 589 52 52 LYS HD2 H 1.3870 0.02 2 590 52 52 LYS HD3 H 1.3410 0.02 2 591 52 52 LYS HE2 H 2.7850 0.02 2 592 52 52 LYS HE3 H 2.7850 0.02 2 593 52 52 LYS C C 176.2410 0.3 1 594 52 52 LYS CA C 57.5160 0.3 1 595 52 52 LYS CB C 33.8900 0.3 1 596 52 52 LYS CG C 24.9920 0.3 1 597 52 52 LYS CD C 28.8970 0.3 1 598 52 52 LYS CE C 41.8730 0.3 1 599 52 52 LYS N N 116.1320 0.2 1 600 53 53 PHE H H 7.9890 0.02 1 601 53 53 PHE HA H 5.3010 0.02 1 602 53 53 PHE HB2 H 2.8320 0.02 2 603 53 53 PHE HB3 H 2.6370 0.02 2 604 53 53 PHE HD1 H 6.5520 0.02 3 605 53 53 PHE HD2 H 6.5520 0.02 3 606 53 53 PHE HE1 H 6.8300 0.02 3 607 53 53 PHE HE2 H 6.8300 0.02 3 608 53 53 PHE HZ H 6.9830 0.02 1 609 53 53 PHE C C 174.0910 0.3 1 610 53 53 PHE CA C 53.8830 0.3 1 611 53 53 PHE CB C 39.6860 0.3 1 612 53 53 PHE CD1 C 132.4000 0.3 3 613 53 53 PHE CD2 C 132.4000 0.3 3 614 53 53 PHE CE1 C 130.6000 0.3 3 615 53 53 PHE CE2 C 130.6000 0.3 3 616 53 53 PHE CZ C 129.4900 0.3 1 617 53 53 PHE N N 116.2690 0.2 1 618 54 54 PRO HA H 4.3490 0.02 1 619 54 54 PRO HB2 H 2.4220 0.02 2 620 54 54 PRO HB3 H 1.9650 0.02 2 621 54 54 PRO HG2 H 2.0450 0.02 2 622 54 54 PRO HG3 H 1.8400 0.02 2 623 54 54 PRO HD2 H 3.6060 0.02 2 624 54 54 PRO HD3 H 3.1730 0.02 2 625 54 54 PRO C C 178.8960 0.3 1 626 54 54 PRO CA C 65.5150 0.3 1 627 54 54 PRO CB C 30.9560 0.3 1 628 54 54 PRO CG C 27.7840 0.3 1 629 54 54 PRO CD C 50.4600 0.3 1 630 55 55 HIS H H 8.9300 0.02 1 631 55 55 HIS HA H 4.8970 0.02 1 632 55 55 HIS HB2 H 3.3460 0.02 2 633 55 55 HIS HB3 H 3.3460 0.02 2 634 55 55 HIS HD2 H 7.2220 0.02 1 635 55 55 HIS HE1 H 8.2490 0.02 1 636 55 55 HIS C C 176.3710 0.3 1 637 55 55 HIS CA C 56.5800 0.3 1 638 55 55 HIS CB C 28.8500 0.3 1 639 55 55 HIS CD2 C 118.6000 0.3 1 640 55 55 HIS CE1 C 138.2230 0.3 1 641 55 55 HIS N N 116.0480 0.2 1 642 56 56 LYS H H 8.2900 0.02 1 643 56 56 LYS HA H 4.9540 0.02 1 644 56 56 LYS HB2 H 1.8530 0.02 2 645 56 56 LYS HB3 H 2.4220 0.02 2 646 56 56 LYS HG2 H 1.0850 0.02 2 647 56 56 LYS HG3 H 1.1240 0.02 2 648 56 56 LYS HD2 H 1.3900 0.02 2 649 56 56 LYS HD3 H 1.5590 0.02 2 650 56 56 LYS HE2 H 2.9040 0.02 2 651 56 56 LYS HE3 H 2.9040 0.02 2 652 56 56 LYS C C 176.6830 0.3 1 653 56 56 LYS CA C 55.3150 0.3 1 654 56 56 LYS CB C 32.8640 0.3 1 655 56 56 LYS CG C 24.7170 0.3 1 656 56 56 LYS CD C 29.2550 0.3 1 657 56 56 LYS CE C 42.1820 0.3 1 658 56 56 LYS N N 120.2080 0.2 1 659 57 57 ILE H H 7.4360 0.02 1 660 57 57 ILE HA H 3.8700 0.02 1 661 57 57 ILE HB H 2.0570 0.02 1 662 57 57 ILE HG12 H 1.5360 0.02 2 663 57 57 ILE HG13 H 1.7120 0.02 2 664 57 57 ILE HG2 H 1.0460 0.02 1 665 57 57 ILE HD1 H 1.0040 0.02 1 666 57 57 ILE C C 177.2420 0.3 1 667 57 57 ILE CA C 64.2050 0.3 1 668 57 57 ILE CB C 37.5480 0.3 1 669 57 57 ILE CG1 C 29.1740 0.3 1 670 57 57 ILE CG2 C 18.0660 0.3 1 671 57 57 ILE CD1 C 13.1110 0.3 1 672 57 57 ILE N N 120.7860 0.2 1 673 58 58 GLN H H 8.7070 0.02 1 674 58 58 GLN HA H 4.1100 0.02 1 675 58 58 GLN HB2 H 2.1170 0.02 2 676 58 58 GLN HB3 H 2.1170 0.02 2 677 58 58 GLN HG2 H 2.4250 0.02 2 678 58 58 GLN HG3 H 2.5000 0.02 2 679 58 58 GLN HE21 H 7.5940 0.02 2 680 58 58 GLN HE22 H 6.9260 0.02 2 681 58 58 GLN C C 178.7260 0.3 1 682 58 58 GLN CA C 59.6100 0.3 1 683 58 58 GLN CB C 27.6780 0.3 1 684 58 58 GLN CG C 34.5900 0.3 1 685 58 58 GLN N N 119.3090 0.2 1 686 58 58 GLN NE2 N 112.4900 0.2 1 687 59 59 ALA H H 7.6830 0.02 1 688 59 59 ALA HA H 4.1550 0.02 1 689 59 59 ALA HB H 1.6350 0.02 1 690 59 59 ALA C C 181.0720 0.3 1 691 59 59 ALA CA C 55.1800 0.3 1 692 59 59 ALA CB C 17.8170 0.3 1 693 59 59 ALA N N 122.9440 0.2 1 694 60 60 LEU H H 7.6730 0.02 1 695 60 60 LEU HA H 3.8360 0.02 1 696 60 60 LEU HB2 H 1.7370 0.02 2 697 60 60 LEU HB3 H 0.3340 0.02 2 698 60 60 LEU HG H 1.2140 0.02 1 699 60 60 LEU HD1 H 0.5110 0.02 2 700 60 60 LEU HD2 H 0.5390 0.02 2 701 60 60 LEU C C 178.4180 0.3 1 702 60 60 LEU CA C 58.0720 0.3 1 703 60 60 LEU CB C 39.0700 0.3 1 704 60 60 LEU CG C 26.4590 0.3 1 705 60 60 LEU CD1 C 25.3800 0.3 2 706 60 60 LEU CD2 C 22.0680 0.3 2 707 60 60 LEU N N 121.6320 0.2 1 708 61 61 GLU H H 8.2580 0.02 1 709 61 61 GLU HA H 4.0070 0.02 1 710 61 61 GLU HB2 H 2.0680 0.02 2 711 61 61 GLU HB3 H 2.0680 0.02 2 712 61 61 GLU HG2 H 2.3400 0.02 2 713 61 61 GLU HG3 H 2.4300 0.02 2 714 61 61 GLU C C 180.2700 0.3 1 715 61 61 GLU CA C 59.2540 0.3 1 716 61 61 GLU CB C 28.5740 0.3 1 717 61 61 GLU CG C 35.7850 0.3 1 718 61 61 GLU N N 117.5800 0.2 1 719 62 62 ARG H H 7.9740 0.02 1 720 62 62 ARG HA H 4.1280 0.02 1 721 62 62 ARG HB2 H 2.0000 0.02 2 722 62 62 ARG HB3 H 1.9500 0.02 2 723 62 62 ARG HG2 H 1.8760 0.02 2 724 62 62 ARG HG3 H 1.6740 0.02 2 725 62 62 ARG HD2 H 3.2730 0.02 2 726 62 62 ARG HD3 H 3.2310 0.02 2 727 62 62 ARG HE H 7.3370 0.02 1 728 62 62 ARG C C 178.5230 0.3 1 729 62 62 ARG CA C 59.4900 0.3 1 730 62 62 ARG CB C 30.1840 0.3 1 731 62 62 ARG CG C 27.6900 0.3 1 732 62 62 ARG CD C 43.5000 0.3 1 733 62 62 ARG N N 119.9780 0.2 1 734 62 62 ARG NE N 84.5700 0.2 1 735 63 63 PHE H H 7.9040 0.02 1 736 63 63 PHE HA H 4.2810 0.02 1 737 63 63 PHE HB2 H 3.2470 0.02 2 738 63 63 PHE HB3 H 3.3530 0.02 2 739 63 63 PHE HD1 H 7.0700 0.02 3 740 63 63 PHE HD2 H 7.0700 0.02 3 741 63 63 PHE HE1 H 6.7240 0.02 3 742 63 63 PHE HE2 H 6.7240 0.02 3 743 63 63 PHE HZ H 6.2270 0.02 1 744 63 63 PHE C C 178.1330 0.3 1 745 63 63 PHE CA C 61.6310 0.3 1 746 63 63 PHE CB C 38.9250 0.3 1 747 63 63 PHE CD1 C 131.9650 0.3 3 748 63 63 PHE CD2 C 131.9650 0.3 3 749 63 63 PHE CE1 C 130.3000 0.3 3 750 63 63 PHE CE2 C 130.3000 0.3 3 751 63 63 PHE CZ C 129.5000 0.3 1 752 63 63 PHE N N 120.0390 0.2 1 753 64 64 LEU H H 9.1200 0.02 1 754 64 64 LEU HA H 3.7560 0.02 1 755 64 64 LEU HB2 H 1.3950 0.02 2 756 64 64 LEU HB3 H 1.8860 0.02 2 757 64 64 LEU HG H 1.8610 0.02 1 758 64 64 LEU HD1 H 0.8150 0.02 2 759 64 64 LEU HD2 H 0.7860 0.02 2 760 64 64 LEU C C 177.7990 0.3 1 761 64 64 LEU CA C 57.6770 0.3 1 762 64 64 LEU CB C 41.6790 0.3 1 763 64 64 LEU CG C 26.8000 0.3 1 764 64 64 LEU CD1 C 25.1320 0.3 2 765 64 64 LEU CD2 C 22.0020 0.3 2 766 64 64 LEU N N 119.6060 0.2 1 767 65 65 ALA H H 7.8900 0.02 1 768 65 65 ALA HA H 4.0180 0.02 1 769 65 65 ALA HB H 1.4860 0.02 1 770 65 65 ALA C C 180.1050 0.3 1 771 65 65 ALA CA C 54.8710 0.3 1 772 65 65 ALA CB C 17.7140 0.3 1 773 65 65 ALA N N 119.9890 0.2 1 774 66 66 ILE H H 6.9160 0.02 1 775 66 66 ILE HA H 3.9500 0.02 1 776 66 66 ILE HB H 1.8400 0.02 1 777 66 66 ILE HG12 H 1.1970 0.02 2 778 66 66 ILE HG13 H 1.5980 0.02 2 779 66 66 ILE HG2 H 0.8600 0.02 1 780 66 66 ILE HD1 H 0.8600 0.02 1 781 66 66 ILE C C 179.0850 0.3 1 782 66 66 ILE CA C 62.7050 0.3 1 783 66 66 ILE CB C 38.3300 0.3 1 784 66 66 ILE CG1 C 28.1480 0.3 1 785 66 66 ILE CG2 C 17.1900 0.3 1 786 66 66 ILE CD1 C 12.2730 0.3 1 787 66 66 ILE N N 115.1060 0.2 1 788 67 67 ALA H H 8.8360 0.02 1 789 67 67 ALA HA H 4.0300 0.02 1 790 67 67 ALA HB H 0.7790 0.02 1 791 67 67 ALA C C 179.9570 0.3 1 792 67 67 ALA CA C 55.1940 0.3 1 793 67 67 ALA CB C 18.2100 0.3 1 794 67 67 ALA N N 125.8610 0.2 1 795 68 68 LEU H H 8.4920 0.02 1 796 68 68 LEU HA H 4.1890 0.02 1 797 68 68 LEU HB2 H 1.6120 0.02 2 798 68 68 LEU HB3 H 1.8650 0.02 2 799 68 68 LEU HG H 1.7790 0.02 1 800 68 68 LEU HD1 H 0.8640 0.02 2 801 68 68 LEU HD2 H 0.7160 0.02 2 802 68 68 LEU C C 178.0110 0.3 1 803 68 68 LEU CA C 56.7310 0.3 1 804 68 68 LEU CB C 39.5940 0.3 1 805 68 68 LEU CG C 27.1960 0.3 1 806 68 68 LEU CD1 C 25.0930 0.3 2 807 68 68 LEU CD2 C 21.6290 0.3 2 808 68 68 LEU N N 112.8250 0.2 1 809 69 69 THR H H 7.7750 0.02 1 810 69 69 THR HA H 4.4600 0.02 1 811 69 69 THR HB H 4.3800 0.02 1 812 69 69 THR HG2 H 1.3700 0.02 1 813 69 69 THR C C 175.6810 0.3 1 814 69 69 THR CA C 63.6370 0.3 1 815 69 69 THR CB C 69.9180 0.3 1 816 69 69 THR CG2 C 21.5750 0.3 1 817 69 69 THR N N 109.0380 0.2 1 818 70 70 VAL H H 7.3420 0.02 1 819 70 70 VAL HA H 4.5770 0.02 1 820 70 70 VAL HB H 2.2510 0.02 1 821 70 70 VAL HG1 H 0.9260 0.02 2 822 70 70 VAL HG2 H 0.9080 0.02 2 823 70 70 VAL C C 175.4170 0.3 1 824 70 70 VAL CA C 61.9000 0.3 1 825 70 70 VAL CB C 33.6820 0.3 1 826 70 70 VAL CG1 C 21.6180 0.3 2 827 70 70 VAL CG2 C 19.6250 0.3 2 828 70 70 VAL N N 114.5560 0.2 1 829 71 71 LEU H H 7.7880 0.02 1 830 71 71 LEU HA H 4.3870 0.02 1 831 71 71 LEU HB2 H 0.9970 0.02 2 832 71 71 LEU HB3 H 1.5520 0.02 2 833 71 71 LEU HG H 1.8270 0.02 1 834 71 71 LEU HD1 H 0.7060 0.02 2 835 71 71 LEU HD2 H 0.6510 0.02 2 836 71 71 LEU C C 175.7150 0.3 1 837 71 71 LEU CA C 53.6310 0.3 1 838 71 71 LEU CB C 44.6760 0.3 1 839 71 71 LEU CG C 25.7000 0.3 1 840 71 71 LEU CD1 C 25.7000 0.3 2 841 71 71 LEU CD2 C 24.0430 0.3 2 842 71 71 LEU N N 121.7420 0.2 1 843 72 72 GLU H H 8.1950 0.02 1 844 72 72 GLU HA H 4.4290 0.02 1 845 72 72 GLU HB2 H 2.0500 0.02 2 846 72 72 GLU HB3 H 2.0500 0.02 2 847 72 72 GLU HG2 H 2.1470 0.02 2 848 72 72 GLU HG3 H 2.1470 0.02 2 849 72 72 GLU C C 174.9600 0.3 1 850 72 72 GLU CA C 55.6810 0.3 1 851 72 72 GLU CB C 31.4600 0.3 1 852 72 72 GLU CG C 35.8960 0.3 1 853 72 72 GLU N N 123.1990 0.2 1 854 73 73 VAL H H 8.6240 0.02 1 855 73 73 VAL HA H 4.6400 0.02 1 856 73 73 VAL HB H 1.9620 0.02 1 857 73 73 VAL HG1 H 0.7640 0.02 2 858 73 73 VAL HG2 H 0.7640 0.02 2 859 73 73 VAL C C 176.9650 0.3 1 860 73 73 VAL CA C 61.3890 0.3 1 861 73 73 VAL CB C 31.2190 0.3 1 862 73 73 VAL CG1 C 21.0640 0.3 2 863 73 73 VAL CG2 C 21.0640 0.3 2 864 73 73 VAL N N 127.9310 0.2 1 865 74 74 VAL H H 9.3060 0.02 1 866 74 74 VAL HA H 4.8320 0.02 1 867 74 74 VAL HB H 2.3000 0.02 1 868 74 74 VAL HG1 H 0.7450 0.02 2 869 74 74 VAL HG2 H 0.9540 0.02 2 870 74 74 VAL C C 173.2900 0.3 1 871 74 74 VAL CA C 58.2600 0.3 1 872 74 74 VAL CB C 31.5510 0.3 1 873 74 74 VAL CG1 C 19.2300 0.3 2 874 74 74 VAL CG2 C 21.6800 0.3 2 875 74 74 VAL N N 126.8470 0.2 1 876 75 75 PRO HA H 4.6700 0.02 1 877 75 75 PRO HB2 H 1.8270 0.02 2 878 75 75 PRO HB3 H 2.2750 0.02 2 879 75 75 PRO HG2 H 2.0100 0.02 2 880 75 75 PRO HG3 H 2.0100 0.02 2 881 75 75 PRO HD2 H 3.8150 0.02 2 882 75 75 PRO HD3 H 3.7050 0.02 2 883 75 75 PRO C C 176.6620 0.3 1 884 75 75 PRO CA C 62.0460 0.3 1 885 75 75 PRO CB C 32.5150 0.3 1 886 75 75 PRO CG C 27.3730 0.3 1 887 75 75 PRO CD C 50.8380 0.3 1 888 76 76 THR H H 8.6510 0.02 1 889 76 76 THR HA H 4.4050 0.02 1 890 76 76 THR HB H 4.1230 0.02 1 891 76 76 THR HG2 H 1.2220 0.02 1 892 76 76 THR C C 173.3600 0.3 1 893 76 76 THR CA C 60.8840 0.3 1 894 76 76 THR CB C 69.3110 0.3 1 895 76 76 THR CG2 C 21.8390 0.3 1 896 76 76 THR N N 118.3910 0.2 1 897 77 77 PRO HA H 4.4300 0.02 1 898 77 77 PRO HB2 H 2.3300 0.02 2 899 77 77 PRO HB3 H 1.8620 0.02 2 900 77 77 PRO HG2 H 1.8870 0.02 2 901 77 77 PRO HG3 H 1.8870 0.02 2 902 77 77 PRO HD2 H 3.4600 0.02 2 903 77 77 PRO HD3 H 3.9900 0.02 2 904 77 77 PRO C C 175.9000 0.3 1 905 77 77 PRO CA C 62.4700 0.3 1 906 77 77 PRO CB C 32.2200 0.3 1 907 77 77 PRO CG C 27.4700 0.3 1 908 77 77 PRO CD C 50.8300 0.3 1 909 78 78 ALA H H 8.4360 0.02 1 910 78 78 ALA HA H 4.3290 0.02 1 911 78 78 ALA HB H 1.4090 0.02 1 912 78 78 ALA C C 177.8600 0.3 1 913 78 78 ALA CA C 52.2000 0.3 1 914 78 78 ALA CB C 19.3200 0.3 1 915 78 78 ALA N N 124.6950 0.2 1 916 79 79 VAL H H 8.0860 0.02 1 917 79 79 VAL HA H 4.0600 0.02 1 918 79 79 VAL HB H 2.0300 0.02 1 919 79 79 VAL HG1 H 0.9340 0.02 2 920 79 79 VAL HG2 H 0.9340 0.02 2 921 79 79 VAL C C 175.3500 0.3 1 922 79 79 VAL CA C 62.2000 0.3 1 923 79 79 VAL CB C 32.7000 0.3 1 924 79 79 VAL CG1 C 20.9800 0.3 2 925 79 79 VAL CG2 C 20.9800 0.3 2 926 79 79 VAL N N 119.1460 0.2 1 927 80 80 ASP H H 8.4460 0.02 1 928 80 80 ASP HA H 4.6980 0.02 1 929 80 80 ASP HB2 H 2.7150 0.02 2 930 80 80 ASP HB3 H 2.6110 0.02 2 931 80 80 ASP C C 176.4000 0.3 1 932 80 80 ASP CA C 54.0000 0.3 1 933 80 80 ASP CB C 41.6800 0.3 1 934 80 80 ASP N N 124.6420 0.2 1 935 81 81 VAL H H 8.1040 0.02 1 936 81 81 VAL HA H 4.2120 0.02 1 937 81 81 VAL HB H 2.2340 0.02 1 938 81 81 VAL HG1 H 0.9560 0.02 2 939 81 81 VAL HG2 H 0.9480 0.02 2 940 81 81 VAL C C 176.3790 0.3 1 941 81 81 VAL CA C 62.1020 0.3 1 942 81 81 VAL CB C 32.3700 0.3 1 943 81 81 VAL CG1 C 21.2540 0.3 2 944 81 81 VAL CG2 C 19.9490 0.3 2 945 81 81 VAL N N 119.1480 0.2 1 946 82 82 SER H H 8.4200 0.02 1 947 82 82 SER HA H 4.3830 0.02 1 948 82 82 SER HB2 H 3.8770 0.02 2 949 82 82 SER HB3 H 3.9730 0.02 2 950 82 82 SER C C 174.6900 0.3 1 951 82 82 SER CA C 59.0570 0.3 1 952 82 82 SER CB C 63.9690 0.3 1 953 82 82 SER N N 118.1570 0.2 1 954 83 83 ASP H H 8.1550 0.02 1 955 83 83 ASP HA H 4.5650 0.02 1 956 83 83 ASP HB2 H 2.6270 0.02 2 957 83 83 ASP HB3 H 2.7410 0.02 2 958 83 83 ASP C C 176.8450 0.3 1 959 83 83 ASP CA C 55.0890 0.3 1 960 83 83 ASP CB C 41.2050 0.3 1 961 83 83 ASP N N 121.9650 0.2 1 962 84 84 GLU H H 8.3690 0.02 1 963 84 84 GLU HA H 4.1060 0.02 1 964 84 84 GLU HB2 H 1.9990 0.02 2 965 84 84 GLU HB3 H 2.0720 0.02 2 966 84 84 GLU HG2 H 2.3080 0.02 2 967 84 84 GLU HG3 H 2.3080 0.02 2 968 84 84 GLU C C 176.9700 0.3 1 969 84 84 GLU CA C 57.9000 0.3 1 970 84 84 GLU CB C 29.8070 0.3 1 971 84 84 GLU CG C 36.4270 0.3 1 972 84 84 GLU N N 121.1810 0.2 1 973 85 85 ALA H H 8.1670 0.02 1 974 85 85 ALA HA H 4.1550 0.02 1 975 85 85 ALA HB H 1.4180 0.02 1 976 85 85 ALA C C 178.3420 0.3 1 977 85 85 ALA CA C 53.6950 0.3 1 978 85 85 ALA CB C 18.7920 0.3 1 979 85 85 ALA N N 122.8120 0.2 1 980 86 86 LEU H H 7.8890 0.02 1 981 86 86 LEU HA H 4.2350 0.02 1 982 86 86 LEU HB2 H 1.6200 0.02 2 983 86 86 LEU HB3 H 1.7390 0.02 2 984 86 86 LEU HG H 1.6460 0.02 1 985 86 86 LEU HD1 H 0.9390 0.02 2 986 86 86 LEU HD2 H 0.8740 0.02 2 987 86 86 LEU C C 177.7880 0.3 1 988 86 86 LEU CA C 56.1270 0.3 1 989 86 86 LEU CB C 42.2900 0.3 1 990 86 86 LEU CG C 27.1000 0.3 1 991 86 86 LEU CD1 C 25.0560 0.3 2 992 86 86 LEU CD2 C 23.4990 0.3 2 993 86 86 LEU N N 118.2930 0.2 1 994 87 87 VAL H H 7.6520 0.02 1 995 87 87 VAL HA H 3.9700 0.02 1 996 87 87 VAL HB H 2.1310 0.02 1 997 87 87 VAL HG1 H 0.9560 0.02 2 998 87 87 VAL HG2 H 0.8980 0.02 2 999 87 87 VAL C C 176.5000 0.3 1 1000 87 87 VAL CA C 63.1350 0.3 1 1001 87 87 VAL CB C 32.2900 0.3 1 1002 87 87 VAL CG1 C 21.3960 0.3 2 1003 87 87 VAL CG2 C 21.3960 0.3 2 1004 87 87 VAL N N 118.2980 0.2 1 1005 88 88 ARG H H 8.2040 0.02 1 1006 88 88 ARG HA H 4.2310 0.02 1 1007 88 88 ARG HB2 H 1.8520 0.02 2 1008 88 88 ARG HB3 H 1.7880 0.02 2 1009 88 88 ARG HG2 H 1.6500 0.02 2 1010 88 88 ARG HG3 H 1.5940 0.02 2 1011 88 88 ARG HD2 H 3.1950 0.02 2 1012 88 88 ARG HD3 H 3.1950 0.02 2 1013 88 88 ARG HE H 7.3050 0.02 1 1014 88 88 ARG C C 176.2100 0.3 1 1015 88 88 ARG CA C 57.1600 0.3 1 1016 88 88 ARG CB C 30.6100 0.3 1 1017 88 88 ARG CG C 27.1300 0.3 1 1018 88 88 ARG CD C 43.4800 0.3 1 1019 88 88 ARG N N 122.8520 0.2 1 1020 88 88 ARG NE N 84.7400 0.2 1 1021 89 89 ASP H H 7.9670 0.02 1 1022 89 89 ASP HA H 4.6280 0.02 1 1023 89 89 ASP HB2 H 2.7350 0.02 2 1024 89 89 ASP HB3 H 2.6470 0.02 2 1025 89 89 ASP C C 176.3300 0.3 1 1026 89 89 ASP CA C 54.0700 0.3 1 1027 89 89 ASP CB C 41.4400 0.3 1 1028 89 89 ASP N N 119.1700 0.2 1 1029 90 90 ALA H H 8.4180 0.02 1 1030 90 90 ALA HA H 4.1550 0.02 1 1031 90 90 ALA HB H 1.4290 0.02 1 1032 90 90 ALA C C 178.2300 0.3 1 1033 90 90 ALA CA C 53.9910 0.3 1 1034 90 90 ALA CB C 18.8590 0.3 1 1035 90 90 ALA N N 125.4160 0.2 1 1036 91 91 SER H H 8.1340 0.02 1 1037 91 91 SER HA H 4.2830 0.02 1 1038 91 91 SER HB2 H 3.8760 0.02 2 1039 91 91 SER HB3 H 3.9530 0.02 2 1040 91 91 SER C C 174.2500 0.3 1 1041 91 91 SER CA C 59.5000 0.3 1 1042 91 91 SER CB C 63.6660 0.3 1 1043 91 91 SER N N 111.6840 0.2 1 1044 92 92 ALA H H 7.9290 0.02 1 1045 92 92 ALA HA H 4.3470 0.02 1 1046 92 92 ALA HB H 1.4070 0.02 1 1047 92 92 ALA C C 178.3300 0.3 1 1048 92 92 ALA CA C 52.5050 0.3 1 1049 92 92 ALA CB C 19.2770 0.3 1 1050 92 92 ALA N N 124.4020 0.2 1 1051 94 94 PRO HA H 4.4390 0.02 1 1052 94 94 PRO HB2 H 2.1260 0.02 2 1053 94 94 PRO HB3 H 2.3050 0.02 2 1054 94 94 PRO HG2 H 2.1570 0.02 2 1055 94 94 PRO HG3 H 1.9320 0.02 2 1056 94 94 PRO HD2 H 3.8070 0.02 2 1057 94 94 PRO HD3 H 3.9500 0.02 2 1058 94 94 PRO C C 176.7400 0.3 1 1059 94 94 PRO CA C 65.9000 0.3 1 1060 94 94 PRO CB C 31.8900 0.3 1 1061 94 94 PRO CG C 27.9500 0.3 1 1062 94 94 PRO CD C 50.9100 0.3 1 1063 95 95 ILE H H 7.4040 0.02 1 1064 95 95 ILE HA H 3.7900 0.02 1 1065 95 95 ILE HB H 2.0490 0.02 1 1066 95 95 ILE HG12 H 1.5280 0.02 2 1067 95 95 ILE HG13 H 1.8040 0.02 2 1068 95 95 ILE HG2 H 0.9250 0.02 1 1069 95 95 ILE HD1 H 0.8530 0.02 1 1070 95 95 ILE C C 176.5230 0.3 1 1071 95 95 ILE CA C 63.6250 0.3 1 1072 95 95 ILE CB C 37.1770 0.3 1 1073 95 95 ILE CG1 C 29.2550 0.3 1 1074 95 95 ILE CG2 C 18.2800 0.3 1 1075 95 95 ILE CD1 C 12.0300 0.3 1 1076 95 95 ILE N N 116.0580 0.2 1 1077 96 96 LEU H H 6.7530 0.02 1 1078 96 96 LEU HA H 3.8020 0.02 1 1079 96 96 LEU HB2 H 1.7490 0.02 2 1080 96 96 LEU HB3 H 1.7490 0.02 2 1081 96 96 LEU HG H 1.4240 0.02 1 1082 96 96 LEU HD1 H 0.7480 0.02 2 1083 96 96 LEU HD2 H 0.7480 0.02 2 1084 96 96 LEU C C 178.5020 0.3 1 1085 96 96 LEU CA C 57.3140 0.3 1 1086 96 96 LEU CB C 41.1910 0.3 1 1087 96 96 LEU CG C 27.4000 0.3 1 1088 96 96 LEU CD1 C 25.1880 0.3 2 1089 96 96 LEU CD2 C 23.8310 0.3 2 1090 96 96 LEU N N 120.9950 0.2 1 1091 97 97 ARG H H 8.0990 0.02 1 1092 97 97 ARG HA H 3.8700 0.02 1 1093 97 97 ARG HB2 H 1.8940 0.02 2 1094 97 97 ARG HB3 H 1.8940 0.02 2 1095 97 97 ARG HG2 H 1.8670 0.02 2 1096 97 97 ARG HG3 H 1.8670 0.02 2 1097 97 97 ARG HD2 H 3.2320 0.02 2 1098 97 97 ARG HD3 H 3.2320 0.02 2 1099 97 97 ARG C C 179.8360 0.3 1 1100 97 97 ARG CA C 59.6860 0.3 1 1101 97 97 ARG CB C 29.6700 0.3 1 1102 97 97 ARG CG C 27.9400 0.3 1 1103 97 97 ARG CD C 43.8700 0.3 1 1104 97 97 ARG N N 118.4080 0.2 1 1105 98 98 ALA H H 8.4140 0.02 1 1106 98 98 ALA HA H 4.0530 0.02 1 1107 98 98 ALA HB H 1.5550 0.02 1 1108 98 98 ALA C C 178.9500 0.3 1 1109 98 98 ALA CA C 55.0320 0.3 1 1110 98 98 ALA CB C 18.8700 0.3 1 1111 98 98 ALA N N 121.6260 0.2 1 1112 99 99 ALA H H 8.1970 0.02 1 1113 99 99 ALA HA H 3.7220 0.02 1 1114 99 99 ALA HB H 1.4070 0.02 1 1115 99 99 ALA C C 178.7410 0.3 1 1116 99 99 ALA CA C 55.2800 0.3 1 1117 99 99 ALA CB C 18.2790 0.3 1 1118 99 99 ALA N N 120.3230 0.2 1 1119 100 100 ILE H H 8.1150 0.02 1 1120 100 100 ILE HA H 3.7790 0.02 1 1121 100 100 ILE HB H 1.8090 0.02 1 1122 100 100 ILE HG12 H 1.1500 0.02 2 1123 100 100 ILE HG13 H 1.6400 0.02 2 1124 100 100 ILE HG2 H 0.9170 0.02 1 1125 100 100 ILE HD1 H 0.8370 0.02 1 1126 100 100 ILE C C 180.6070 0.3 1 1127 100 100 ILE CA C 64.7010 0.3 1 1128 100 100 ILE CB C 38.5300 0.3 1 1129 100 100 ILE CG1 C 29.7830 0.3 1 1130 100 100 ILE CG2 C 16.8350 0.3 1 1131 100 100 ILE CD1 C 13.6850 0.3 1 1132 100 100 ILE N N 117.9950 0.2 1 1133 101 101 ALA H H 8.0540 0.02 1 1134 101 101 ALA HA H 4.1240 0.02 1 1135 101 101 ALA HB H 1.5100 0.02 1 1136 101 101 ALA C C 178.7680 0.3 1 1137 101 101 ALA CA C 55.1840 0.3 1 1138 101 101 ALA CB C 18.0440 0.3 1 1139 101 101 ALA N N 124.1880 0.2 1 1140 102 102 ALA H H 7.8400 0.02 1 1141 102 102 ALA HA H 4.4180 0.02 1 1142 102 102 ALA HB H 1.4070 0.02 1 1143 102 102 ALA C C 175.7020 0.3 1 1144 102 102 ALA CA C 51.3510 0.3 1 1145 102 102 ALA CB C 18.6980 0.3 1 1146 102 102 ALA N N 116.8770 0.2 1 1147 103 103 LYS H H 7.8490 0.02 1 1148 103 103 LYS HA H 3.8590 0.02 1 1149 103 103 LYS HB2 H 1.7770 0.02 2 1150 103 103 LYS HB3 H 1.9520 0.02 2 1151 103 103 LYS HG2 H 1.3600 0.02 2 1152 103 103 LYS HG3 H 1.3600 0.02 2 1153 103 103 LYS HD2 H 1.7000 0.02 2 1154 103 103 LYS HD3 H 1.7000 0.02 2 1155 103 103 LYS HE2 H 3.0100 0.02 2 1156 103 103 LYS HE3 H 3.0100 0.02 2 1157 103 103 LYS C C 176.8820 0.3 1 1158 103 103 LYS CA C 56.6710 0.3 1 1159 103 103 LYS CB C 28.5490 0.3 1 1160 103 103 LYS CG C 24.8100 0.3 1 1161 103 103 LYS CD C 29.2000 0.3 1 1162 103 103 LYS CE C 42.4000 0.3 1 1163 103 103 LYS N N 115.2830 0.2 1 1164 104 104 ALA H H 8.3420 0.02 1 1165 104 104 ALA HA H 3.9270 0.02 1 1166 104 104 ALA HB H 1.1140 0.02 1 1167 104 104 ALA C C 176.9560 0.3 1 1168 104 104 ALA CA C 52.9860 0.3 1 1169 104 104 ALA CB C 18.1660 0.3 1 1170 104 104 ALA N N 119.0990 0.2 1 1171 105 105 ASP H H 9.3480 0.02 1 1172 105 105 ASP HA H 4.7830 0.02 1 1173 105 105 ASP HB2 H 2.6610 0.02 2 1174 105 105 ASP HB3 H 2.9080 0.02 2 1175 105 105 ASP C C 177.1370 0.3 1 1176 105 105 ASP CA C 56.8480 0.3 1 1177 105 105 ASP CB C 44.1200 0.3 1 1178 105 105 ASP N N 120.7160 0.2 1 1179 106 106 VAL H H 7.7410 0.02 1 1180 106 106 VAL HA H 5.1130 0.02 1 1181 106 106 VAL HB H 1.7490 0.02 1 1182 106 106 VAL HG1 H 0.8250 0.02 2 1183 106 106 VAL HG2 H 0.9520 0.02 2 1184 106 106 VAL C C 172.1460 0.3 1 1185 106 106 VAL CA C 59.7920 0.3 1 1186 106 106 VAL CB C 37.2800 0.3 1 1187 106 106 VAL CG1 C 23.0500 0.3 2 1188 106 106 VAL CG2 C 23.0500 0.3 2 1189 106 106 VAL N N 117.2700 0.2 1 1190 107 107 LEU H H 9.1130 0.02 1 1191 107 107 LEU HA H 5.1700 0.02 1 1192 107 107 LEU HB2 H 1.6760 0.02 2 1193 107 107 LEU HB3 H 0.7790 0.02 2 1194 107 107 LEU HG H 1.3670 0.02 1 1195 107 107 LEU HD1 H 0.6330 0.02 2 1196 107 107 LEU HD2 H 0.4690 0.02 2 1197 107 107 LEU C C 173.5390 0.3 1 1198 107 107 LEU CA C 53.5000 0.3 1 1199 107 107 LEU CB C 45.4190 0.3 1 1200 107 107 LEU CG C 28.2000 0.3 1 1201 107 107 LEU CD1 C 25.4200 0.3 2 1202 107 107 LEU CD2 C 25.7900 0.3 2 1203 107 107 LEU N N 130.3220 0.2 1 1204 108 108 VAL H H 8.5870 0.02 1 1205 108 108 VAL HA H 4.8970 0.02 1 1206 108 108 VAL HB H 1.6350 0.02 1 1207 108 108 VAL HG1 H 0.6440 0.02 2 1208 108 108 VAL HG2 H 0.0200 0.02 2 1209 108 108 VAL C C 174.3710 0.3 1 1210 108 108 VAL CA C 60.1380 0.3 1 1211 108 108 VAL CB C 32.0500 0.3 1 1212 108 108 VAL CG1 C 20.9990 0.3 2 1213 108 108 VAL CG2 C 20.9990 0.3 2 1214 108 108 VAL N N 127.2170 0.2 1 1215 109 109 THR H H 9.1290 0.02 1 1216 109 109 THR HA H 4.8650 0.02 1 1217 109 109 THR HB H 4.0540 0.02 1 1218 109 109 THR HG2 H 1.0810 0.02 1 1219 109 109 THR C C 171.0490 0.3 1 1220 109 109 THR CA C 60.6680 0.3 1 1221 109 109 THR CB C 68.7160 0.3 1 1222 109 109 THR CG2 C 20.3000 0.3 1 1223 109 109 THR N N 120.7910 0.2 1 1224 110 110 GLY H H 7.8540 0.02 1 1225 110 110 GLY HA2 H 3.5170 0.02 2 1226 110 110 GLY HA3 H 4.6570 0.02 2 1227 110 110 GLY C C 174.5590 0.3 1 1228 110 110 GLY CA C 44.9000 0.3 1 1229 110 110 GLY N N 111.5200 0.2 1 1230 111 111 ASP H H 9.0440 0.02 1 1231 111 111 ASP HA H 4.4060 0.02 1 1232 111 111 ASP HB2 H 2.9320 0.02 2 1233 111 111 ASP HB3 H 2.2760 0.02 2 1234 111 111 ASP C C 177.0080 0.3 1 1235 111 111 ASP CA C 54.6220 0.3 1 1236 111 111 ASP CB C 41.6890 0.3 1 1237 111 111 ASP N N 124.8700 0.2 1 1238 112 112 ARG H H 8.9080 0.02 1 1239 112 112 ARG HA H 3.9160 0.02 1 1240 112 112 ARG HB2 H 1.8630 0.02 2 1241 112 112 ARG HB3 H 1.8950 0.02 2 1242 112 112 ARG HG2 H 1.7450 0.02 2 1243 112 112 ARG HG3 H 1.6470 0.02 2 1244 112 112 ARG HD2 H 3.1910 0.02 2 1245 112 112 ARG HD3 H 3.1910 0.02 2 1246 112 112 ARG HE H 7.3600 0.02 1 1247 112 112 ARG C C 177.2670 0.3 1 1248 112 112 ARG CA C 59.3230 0.3 1 1249 112 112 ARG CB C 29.8820 0.3 1 1250 112 112 ARG CG C 26.8200 0.3 1 1251 112 112 ARG CD C 43.0900 0.3 1 1252 112 112 ARG N N 129.5110 0.2 1 1253 112 112 ARG NE N 84.2300 0.2 1 1254 113 113 ASP H H 8.3730 0.02 1 1255 113 113 ASP HA H 4.3040 0.02 1 1256 113 113 ASP HB2 H 2.4580 0.02 2 1257 113 113 ASP HB3 H 2.5050 0.02 2 1258 113 113 ASP C C 179.3440 0.3 1 1259 113 113 ASP CA C 57.2940 0.3 1 1260 113 113 ASP CB C 39.4700 0.3 1 1261 113 113 ASP N N 117.8620 0.2 1 1262 114 114 PHE H H 7.5040 0.02 1 1263 114 114 PHE HA H 4.7030 0.02 1 1264 114 114 PHE HB2 H 3.2290 0.02 2 1265 114 114 PHE HB3 H 3.2290 0.02 2 1266 114 114 PHE HD1 H 7.1900 0.02 3 1267 114 114 PHE HD2 H 7.1900 0.02 3 1268 114 114 PHE HE1 H 7.4500 0.02 3 1269 114 114 PHE HE2 H 7.4500 0.02 3 1270 114 114 PHE C C 179.2760 0.3 1 1271 114 114 PHE CA C 57.5000 0.3 1 1272 114 114 PHE CB C 37.9000 0.3 1 1273 114 114 PHE CD1 C 130.0000 0.3 3 1274 114 114 PHE CD2 C 130.0000 0.3 3 1275 114 114 PHE CE1 C 132.1000 0.3 3 1276 114 114 PHE CE2 C 132.1000 0.3 3 1277 114 114 PHE N N 116.3410 0.2 1 1278 115 115 LEU H H 8.3780 0.02 1 1279 115 115 LEU HA H 3.9040 0.02 1 1280 115 115 LEU HB2 H 1.6230 0.02 2 1281 115 115 LEU HB3 H 1.7490 0.02 2 1282 115 115 LEU HG H 1.4880 0.02 1 1283 115 115 LEU HD1 H 0.7640 0.02 2 1284 115 115 LEU HD2 H 0.8690 0.02 2 1285 115 115 LEU C C 178.6080 0.3 1 1286 115 115 LEU CA C 58.6590 0.3 1 1287 115 115 LEU CB C 42.2000 0.3 1 1288 115 115 LEU CG C 26.9340 0.3 1 1289 115 115 LEU CD1 C 25.2700 0.3 2 1290 115 115 LEU CD2 C 22.6500 0.3 2 1291 115 115 LEU N N 121.7510 0.2 1 1292 116 116 GLU H H 7.9870 0.02 1 1293 116 116 GLU HA H 4.5320 0.02 1 1294 116 116 GLU HB2 H 1.9650 0.02 2 1295 116 116 GLU HB3 H 2.3530 0.02 2 1296 116 116 GLU HG2 H 2.2990 0.02 2 1297 116 116 GLU HG3 H 2.4030 0.02 2 1298 116 116 GLU C C 176.8900 0.3 1 1299 116 116 GLU CA C 55.7610 0.3 1 1300 116 116 GLU CB C 28.7290 0.3 1 1301 116 116 GLU CG C 36.4490 0.3 1 1302 116 116 GLU N N 115.1690 0.2 1 1303 117 117 SER H H 7.4400 0.02 1 1304 117 117 SER HA H 4.2010 0.02 1 1305 117 117 SER HB2 H 3.9840 0.02 2 1306 117 117 SER HB3 H 4.4560 0.02 2 1307 117 117 SER C C 175.7510 0.3 1 1308 117 117 SER CA C 61.0180 0.3 1 1309 117 117 SER CB C 64.5550 0.3 1 1310 117 117 SER N N 114.7120 0.2 1 1311 118 118 GLY H H 8.5320 0.02 1 1312 118 118 GLY HA2 H 4.1700 0.02 2 1313 118 118 GLY HA3 H 3.7460 0.02 2 1314 118 118 GLY C C 174.1650 0.3 1 1315 118 118 GLY CA C 45.5160 0.3 1 1316 118 118 GLY N N 110.9460 0.2 1 1317 119 119 ILE H H 7.6590 0.02 1 1318 119 119 ILE HA H 3.9960 0.02 1 1319 119 119 ILE HB H 1.8630 0.02 1 1320 119 119 ILE HG12 H 1.2220 0.02 2 1321 119 119 ILE HG13 H 1.4580 0.02 2 1322 119 119 ILE HG2 H 0.9430 0.02 1 1323 119 119 ILE HD1 H 0.8670 0.02 1 1324 119 119 ILE C C 176.8420 0.3 1 1325 119 119 ILE CA C 61.8410 0.3 1 1326 119 119 ILE CB C 37.7350 0.3 1 1327 119 119 ILE CG1 C 28.5910 0.3 1 1328 119 119 ILE CG2 C 17.7440 0.3 1 1329 119 119 ILE CD1 C 12.6520 0.3 1 1330 119 119 ILE N N 122.7330 0.2 1 1331 120 120 THR H H 8.5750 0.02 1 1332 120 120 THR HA H 4.4600 0.02 1 1333 120 120 THR HB H 4.3880 0.02 1 1334 120 120 THR HG2 H 1.1820 0.02 1 1335 120 120 THR C C 173.7930 0.3 1 1336 120 120 THR CA C 61.9210 0.3 1 1337 120 120 THR CB C 69.9000 0.3 1 1338 120 120 THR CG2 C 21.5070 0.3 1 1339 120 120 THR N N 115.4600 0.2 1 1340 121 121 ASN H H 6.8740 0.02 1 1341 121 121 ASN HA H 4.6690 0.02 1 1342 121 121 ASN HB2 H 2.6620 0.02 2 1343 121 121 ASN HB3 H 2.7810 0.02 2 1344 121 121 ASN HD21 H 7.5400 0.02 2 1345 121 121 ASN HD22 H 6.8190 0.02 2 1346 121 121 ASN C C 172.1840 0.3 1 1347 121 121 ASN CA C 51.2100 0.3 1 1348 121 121 ASN CB C 40.6840 0.3 1 1349 121 121 ASN N N 120.5030 0.2 1 1350 121 121 ASN ND2 N 111.5900 0.2 1 1351 122 122 PRO HA H 4.5320 0.02 1 1352 122 122 PRO HB2 H 1.4590 0.02 2 1353 122 122 PRO HB3 H 1.9770 0.02 2 1354 122 122 PRO HG2 H 1.3330 0.02 2 1355 122 122 PRO HG3 H 1.3120 0.02 2 1356 122 122 PRO HD2 H 3.3630 0.02 2 1357 122 122 PRO HD3 H 3.2230 0.02 2 1358 122 122 PRO C C 173.3840 0.3 1 1359 122 122 PRO CA C 62.3570 0.3 1 1360 122 122 PRO CB C 33.3530 0.3 1 1361 122 122 PRO CG C 24.6740 0.3 1 1362 122 122 PRO CD C 49.9100 0.3 1 1363 123 123 LYS H H 7.4270 0.02 1 1364 123 123 LYS HA H 4.1670 0.02 1 1365 123 123 LYS HB2 H 1.8140 0.02 2 1366 123 123 LYS HB3 H 1.8140 0.02 2 1367 123 123 LYS HG2 H 1.4690 0.02 2 1368 123 123 LYS HG3 H 1.5800 0.02 2 1369 123 123 LYS HD2 H 1.7050 0.02 2 1370 123 123 LYS HD3 H 1.7050 0.02 2 1371 123 123 LYS HE2 H 3.0120 0.02 2 1372 123 123 LYS HE3 H 3.0660 0.02 2 1373 123 123 LYS C C 175.6730 0.3 1 1374 123 123 LYS CA C 56.7060 0.3 1 1375 123 123 LYS CB C 32.9200 0.3 1 1376 123 123 LYS CG C 25.0800 0.3 1 1377 123 123 LYS CD C 29.2600 0.3 1 1378 123 123 LYS CE C 42.2300 0.3 1 1379 123 123 LYS N N 116.4580 0.2 1 1380 124 124 ILE H H 8.7790 0.02 1 1381 124 124 ILE HA H 4.8850 0.02 1 1382 124 124 ILE HB H 1.8140 0.02 1 1383 124 124 ILE HG12 H 1.7510 0.02 2 1384 124 124 ILE HG13 H 0.6670 0.02 2 1385 124 124 ILE HG2 H 0.7030 0.02 1 1386 124 124 ILE HD1 H 0.6930 0.02 1 1387 124 124 ILE C C 176.2510 0.3 1 1388 124 124 ILE CA C 61.1670 0.3 1 1389 124 124 ILE CB C 37.7470 0.3 1 1390 124 124 ILE CG1 C 27.2620 0.3 1 1391 124 124 ILE CG2 C 18.8860 0.3 1 1392 124 124 ILE CD1 C 14.8500 0.3 1 1393 124 124 ILE N N 128.7990 0.2 1 1394 125 125 VAL H H 8.7560 0.02 1 1395 125 125 VAL HA H 4.9760 0.02 1 1396 125 125 VAL HB H 2.5290 0.02 1 1397 125 125 VAL HG1 H 0.8890 0.02 2 1398 125 125 VAL HG2 H 0.8180 0.02 2 1399 125 125 VAL C C 174.3860 0.3 1 1400 125 125 VAL CA C 58.4670 0.3 1 1401 125 125 VAL CB C 36.5350 0.3 1 1402 125 125 VAL CG1 C 22.5660 0.3 2 1403 125 125 VAL CG2 C 19.8450 0.3 2 1404 125 125 VAL N N 119.6490 0.2 1 1405 126 126 THR H H 8.2890 0.02 1 1406 126 126 THR HA H 5.0900 0.02 1 1407 126 126 THR HB H 4.7940 0.02 1 1408 126 126 THR HG2 H 1.4850 0.02 1 1409 126 126 THR C C 176.5660 0.3 1 1410 126 126 THR CA C 60.2380 0.3 1 1411 126 126 THR CB C 72.0390 0.3 1 1412 126 126 THR CG2 C 22.9170 0.3 1 1413 126 126 THR N N 109.6590 0.2 1 1414 127 127 ALA H H 8.8120 0.02 1 1415 127 127 ALA HA H 3.7900 0.02 1 1416 127 127 ALA HB H 1.3070 0.02 1 1417 127 127 ALA C C 178.5400 0.3 1 1418 127 127 ALA CA C 56.1420 0.3 1 1419 127 127 ALA CB C 18.2260 0.3 1 1420 127 127 ALA N N 122.1100 0.2 1 1421 128 128 ALA H H 8.3790 0.02 1 1422 128 128 ALA HA H 3.9390 0.02 1 1423 128 128 ALA HB H 1.4400 0.02 1 1424 128 128 ALA C C 181.0240 0.3 1 1425 128 128 ALA CA C 55.5190 0.3 1 1426 128 128 ALA CB C 18.3880 0.3 1 1427 128 128 ALA N N 117.0180 0.2 1 1428 129 129 GLU H H 7.7100 0.02 1 1429 129 129 GLU HA H 3.9730 0.02 1 1430 129 129 GLU HB2 H 1.9880 0.02 2 1431 129 129 GLU HB3 H 2.3760 0.02 2 1432 129 129 GLU HG2 H 2.2980 0.02 2 1433 129 129 GLU HG3 H 2.2980 0.02 2 1434 129 129 GLU C C 180.1540 0.3 1 1435 129 129 GLU CA C 58.7630 0.3 1 1436 129 129 GLU CB C 30.4240 0.3 1 1437 129 129 GLU CG C 37.0610 0.3 1 1438 129 129 GLU N N 118.2810 0.2 1 1439 130 130 PHE H H 8.9210 0.02 1 1440 130 130 PHE HA H 4.3930 0.02 1 1441 130 130 PHE HB2 H 3.1860 0.02 2 1442 130 130 PHE HB3 H 3.3340 0.02 2 1443 130 130 PHE HD1 H 7.1400 0.02 3 1444 130 130 PHE HD2 H 7.1400 0.02 3 1445 130 130 PHE HE1 H 7.3350 0.02 3 1446 130 130 PHE HE2 H 7.3350 0.02 3 1447 130 130 PHE HZ H 6.8650 0.02 1 1448 130 130 PHE C C 177.8280 0.3 1 1449 130 130 PHE CA C 60.1650 0.3 1 1450 130 130 PHE CB C 39.2060 0.3 1 1451 130 130 PHE CD1 C 131.1000 0.3 3 1452 130 130 PHE CD2 C 131.1000 0.3 3 1453 130 130 PHE CE1 C 131.2000 0.3 3 1454 130 130 PHE CE2 C 131.2000 0.3 3 1455 130 130 PHE CZ C 129.0000 0.3 1 1456 130 130 PHE N N 120.9320 0.2 1 1457 131 131 LEU H H 7.8340 0.02 1 1458 131 131 LEU HA H 3.6080 0.02 1 1459 131 131 LEU HB2 H 1.5410 0.02 2 1460 131 131 LEU HB3 H 1.8740 0.02 2 1461 131 131 LEU HG H 1.9470 0.02 1 1462 131 131 LEU HD1 H 0.7520 0.02 2 1463 131 131 LEU HD2 H 0.9960 0.02 2 1464 131 131 LEU C C 178.0780 0.3 1 1465 131 131 LEU CA C 57.5350 0.3 1 1466 131 131 LEU CB C 41.5440 0.3 1 1467 131 131 LEU CG C 26.6000 0.3 1 1468 131 131 LEU CD1 C 22.3450 0.3 2 1469 131 131 LEU CD2 C 26.3000 0.3 2 1470 131 131 LEU N N 116.8680 0.2 1 1471 132 132 GLN H H 7.2740 0.02 1 1472 132 132 GLN HA H 4.2010 0.02 1 1473 132 132 GLN HB2 H 2.0340 0.02 2 1474 132 132 GLN HB3 H 2.2280 0.02 2 1475 132 132 GLN HG2 H 2.3840 0.02 2 1476 132 132 GLN HG3 H 2.4400 0.02 2 1477 132 132 GLN HE21 H 7.4290 0.02 2 1478 132 132 GLN HE22 H 6.7710 0.02 2 1479 132 132 GLN C C 176.6010 0.3 1 1480 132 132 GLN CA C 56.3190 0.3 1 1481 132 132 GLN CB C 29.1850 0.3 1 1482 132 132 GLN CG C 33.7420 0.3 1 1483 132 132 GLN N N 115.6000 0.2 1 1484 132 132 GLN NE2 N 111.6900 0.2 1 1485 133 133 MET H H 7.4620 0.02 1 1486 133 133 MET HA H 4.1050 0.02 1 1487 133 133 MET HB2 H 2.0590 0.02 2 1488 133 133 MET HB3 H 2.0590 0.02 2 1489 133 133 MET HG2 H 2.7000 0.02 2 1490 133 133 MET HG3 H 2.5440 0.02 2 1491 133 133 MET HE H 2.0960 0.02 1 1492 133 133 MET C C 176.4200 0.3 1 1493 133 133 MET CA C 57.5840 0.3 1 1494 133 133 MET CB C 33.6220 0.3 1 1495 133 133 MET CG C 31.6600 0.3 1 1496 133 133 MET CE C 17.1600 0.3 1 1497 133 133 MET N N 119.6920 0.2 1 1498 134 134 GLU H H 8.3610 0.02 1 1499 134 134 GLU HA H 4.1740 0.02 1 1500 134 134 GLU HB2 H 1.8130 0.02 2 1501 134 134 GLU HB3 H 1.9900 0.02 2 1502 134 134 GLU HG2 H 2.0710 0.02 2 1503 134 134 GLU HG3 H 2.0710 0.02 2 1504 134 134 GLU C C 176.5620 0.3 1 1505 134 134 GLU CA C 56.6500 0.3 1 1506 134 134 GLU CB C 30.0060 0.3 1 1507 134 134 GLU CG C 36.1170 0.3 1 1508 134 134 GLU N N 122.1970 0.2 1 1509 135 135 LEU H H 8.0810 0.02 1 1510 135 135 LEU HA H 4.2120 0.02 1 1511 135 135 LEU HB2 H 1.5140 0.02 2 1512 135 135 LEU HB3 H 1.6350 0.02 2 1513 135 135 LEU HG H 1.6000 0.02 1 1514 135 135 LEU HD1 H 0.8870 0.02 2 1515 135 135 LEU HD2 H 0.8340 0.02 2 1516 135 135 LEU C C 177.5230 0.3 1 1517 135 135 LEU CA C 55.7600 0.3 1 1518 135 135 LEU CB C 42.2000 0.3 1 1519 135 135 LEU CG C 27.0000 0.3 1 1520 135 135 LEU CD1 C 25.1300 0.3 2 1521 135 135 LEU CD2 C 23.6650 0.3 2 1522 135 135 LEU N N 122.4560 0.2 1 1523 136 136 GLU H H 8.1140 0.02 1 1524 136 136 GLU HA H 4.1550 0.02 1 1525 136 136 GLU HB2 H 1.8970 0.02 2 1526 136 136 GLU HB3 H 1.8970 0.02 2 1527 136 136 GLU HG2 H 2.1440 0.02 2 1528 136 136 GLU HG3 H 2.2060 0.02 2 1529 136 136 GLU C C 176.2240 0.3 1 1530 136 136 GLU CA C 56.6380 0.3 1 1531 136 136 GLU CB C 30.4100 0.3 1 1532 136 136 GLU CG C 36.1170 0.3 1 1533 136 136 GLU N N 119.8470 0.2 1 1534 137 137 HIS H H 8.3200 0.02 1 1535 137 137 HIS HA H 4.5790 0.02 1 1536 137 137 HIS HB2 H 3.0600 0.02 2 1537 137 137 HIS HB3 H 3.1070 0.02 2 1538 137 137 HIS C C 174.6100 0.3 1 1539 137 137 HIS CA C 55.7500 0.3 1 1540 137 137 HIS CB C 29.3100 0.3 1 1541 137 137 HIS N N 119.1030 0.2 1 1542 138 138 HIS H H 8.4030 0.02 1 1543 138 138 HIS HA H 4.5960 0.02 1 1544 138 138 HIS HB2 H 3.1360 0.02 2 1545 138 138 HIS HB3 H 3.0530 0.02 2 1546 138 138 HIS HD2 H 7.1070 0.02 1 1547 138 138 HIS HE1 H 8.3260 0.02 1 1548 138 138 HIS C C 174.4800 0.3 1 1549 138 138 HIS CA C 55.6500 0.3 1 1550 138 138 HIS CB C 29.5300 0.3 1 1551 138 138 HIS CD2 C 119.8000 0.3 1 1552 138 138 HIS CE1 C 136.9500 0.3 1 1553 138 138 HIS N N 119.5560 0.2 1 1554 141 141 HIS HA H 4.6330 0.02 1 1555 141 141 HIS HB2 H 3.1850 0.02 2 1556 141 141 HIS HB3 H 3.1850 0.02 2 1557 141 141 HIS C C 173.7500 0.3 1 1558 141 141 HIS CA C 55.8600 0.3 1 1559 141 141 HIS CB C 29.6600 0.3 1 1560 142 142 HIS H H 8.2640 0.02 1 1561 142 142 HIS HA H 4.4470 0.02 1 1562 142 142 HIS HB2 H 3.1110 0.02 2 1563 142 142 HIS HB3 H 3.2270 0.02 2 1564 142 142 HIS C C 178.9600 0.3 1 1565 142 142 HIS CA C 57.2500 0.3 1 1566 142 142 HIS CB C 29.7800 0.3 1 1567 142 142 HIS N N 125.3340 0.2 1 stop_ save_