data_12024 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignments of a cellulosomal double-dockerin from Clostridium thermocellum ; _BMRB_accession_number 12024 _BMRB_flat_file_name bmr12024.str _Entry_type original _Submission_date 2018-09-28 _Accession_date 2018-09-28 _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 Chen Chao . . 2 Yang Hongwu . . 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" 814 "13C chemical shifts" 615 "15N chemical shifts" 163 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-12-11 original BMRB . stop_ _Original_release_date 2018-09-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Resonance assignments of a cellulosomal double-dockerin from Clostridium thermocellum. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30377946 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen Chao . . 2 Yang Hongwu . . 3 Xuan Jinsong . . 4 Cui Qiu . . 5 Feng Yingang . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume . _Journal_issue . _Journal_ISSN 1874-2718 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'cellulosomal double-dockerin' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label protein $dDoc_0689 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_dDoc_0689 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common dDoc_0689 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 151 _Mol_residue_sequence ; MSVKIGDIDGNGEISSIDYA ILKSHLINSNLTFKQLAAAD VDGNGYVNSIDLAILQMYLL GKGGTSDIGKNRIYTYGDID NNGIVDENDYILICNHINGT GQLSDASLFAADADGNNVID QTDRILIEKYITGRITHLPV GNQLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 SER 3 3 VAL 4 4 LYS 5 5 ILE 6 6 GLY 7 7 ASP 8 8 ILE 9 9 ASP 10 10 GLY 11 11 ASN 12 12 GLY 13 13 GLU 14 14 ILE 15 15 SER 16 16 SER 17 17 ILE 18 18 ASP 19 19 TYR 20 20 ALA 21 21 ILE 22 22 LEU 23 23 LYS 24 24 SER 25 25 HIS 26 26 LEU 27 27 ILE 28 28 ASN 29 29 SER 30 30 ASN 31 31 LEU 32 32 THR 33 33 PHE 34 34 LYS 35 35 GLN 36 36 LEU 37 37 ALA 38 38 ALA 39 39 ALA 40 40 ASP 41 41 VAL 42 42 ASP 43 43 GLY 44 44 ASN 45 45 GLY 46 46 TYR 47 47 VAL 48 48 ASN 49 49 SER 50 50 ILE 51 51 ASP 52 52 LEU 53 53 ALA 54 54 ILE 55 55 LEU 56 56 GLN 57 57 MET 58 58 TYR 59 59 LEU 60 60 LEU 61 61 GLY 62 62 LYS 63 63 GLY 64 64 GLY 65 65 THR 66 66 SER 67 67 ASP 68 68 ILE 69 69 GLY 70 70 LYS 71 71 ASN 72 72 ARG 73 73 ILE 74 74 TYR 75 75 THR 76 76 TYR 77 77 GLY 78 78 ASP 79 79 ILE 80 80 ASP 81 81 ASN 82 82 ASN 83 83 GLY 84 84 ILE 85 85 VAL 86 86 ASP 87 87 GLU 88 88 ASN 89 89 ASP 90 90 TYR 91 91 ILE 92 92 LEU 93 93 ILE 94 94 CYS 95 95 ASN 96 96 HIS 97 97 ILE 98 98 ASN 99 99 GLY 100 100 THR 101 101 GLY 102 102 GLN 103 103 LEU 104 104 SER 105 105 ASP 106 106 ALA 107 107 SER 108 108 LEU 109 109 PHE 110 110 ALA 111 111 ALA 112 112 ASP 113 113 ALA 114 114 ASP 115 115 GLY 116 116 ASN 117 117 ASN 118 118 VAL 119 119 ILE 120 120 ASP 121 121 GLN 122 122 THR 123 123 ASP 124 124 ARG 125 125 ILE 126 126 LEU 127 127 ILE 128 128 GLU 129 129 LYS 130 130 TYR 131 131 ILE 132 132 THR 133 133 GLY 134 134 ARG 135 135 ILE 136 136 THR 137 137 HIS 138 138 LEU 139 139 PRO 140 140 VAL 141 141 GLY 142 142 ASN 143 143 GLN 144 144 LEU 145 145 GLU 146 146 HIS 147 147 HIS 148 148 HIS 149 149 HIS 150 150 HIS 151 151 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 A3DK52 . . . . . . GB ADU73768 . . . . . . 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 $dDoc_0689 'Clostridium thermocellum' 1515 Bacteria . Hungateiclostridium thermocellum DSM1313 Clo1313_0689 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 $dDoc_0689 '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 $dDoc_0689 0.6 mM '[U-13C; U-15N]' 'sodium acetate' 50 mM 'natural abundance' 'potassium chloride' 50 mM 'natural abundance' CaCl2 10 mM 'natural abundance' DTT 3 mM 'natural abundance' DSS 0.02 '% w/v' 'natural abundance' 'protease inhibitor cocktail (Roche)' 0.4 tablet/100mL 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % [U-2H] 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_NMR_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_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HBHANH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $sample_1 save_ save_3D_HA(CA)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HA(CA)NH' _Sample_label $sample_1 save_ save_3D_HA(CA)(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HA(CA)(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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' 120 . mM pH 4.9 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '2D 1H-13C HSQC aromatic' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HBHA(CO)NH' '3D HN(CA)CO' '3D HBHANH' '3D HA(CA)NH' '3D HA(CA)(CO)NH' '3D HCCH-TOCSY' '3D CCH-TOCSY' '3D HCCH-COSY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D 1H-15N NOESY' 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 protein _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 SER HA H 4.4510 0.02 1 2 2 2 SER HB2 H 3.9230 0.02 2 3 2 2 SER HB3 H 3.7860 0.02 2 4 2 2 SER C C 170.2470 0.3 1 5 2 2 SER CA C 57.4570 0.3 1 6 2 2 SER CB C 63.5250 0.3 1 7 3 3 VAL H H 8.8280 0.02 1 8 3 3 VAL HA H 4.1460 0.02 1 9 3 3 VAL HB H 1.9690 0.02 1 10 3 3 VAL HG1 H 0.6350 0.02 2 11 3 3 VAL HG2 H 0.6160 0.02 2 12 3 3 VAL C C 173.4720 0.3 1 13 3 3 VAL CA C 61.5650 0.3 1 14 3 3 VAL CB C 34.5600 0.3 1 15 3 3 VAL CG1 C 20.8700 0.3 2 16 3 3 VAL CG2 C 21.3600 0.3 2 17 3 3 VAL N N 120.0940 0.2 1 18 4 4 LYS H H 8.6070 0.02 1 19 4 4 LYS HA H 4.7280 0.02 1 20 4 4 LYS HB2 H 1.6280 0.02 2 21 4 4 LYS HB3 H 1.8150 0.02 2 22 4 4 LYS HD2 H 1.5520 0.02 2 23 4 4 LYS HD3 H 1.4300 0.02 2 24 4 4 LYS HE2 H 2.9390 0.02 2 25 4 4 LYS HE3 H 2.9390 0.02 2 26 4 4 LYS HG2 H 0.9790 0.02 2 27 4 4 LYS HG3 H 1.0700 0.02 2 28 4 4 LYS C C 175.7470 0.3 1 29 4 4 LYS CA C 55.1170 0.3 1 30 4 4 LYS CB C 32.2480 0.3 1 31 4 4 LYS CD C 29.0470 0.3 1 32 4 4 LYS CE C 41.3200 0.3 1 33 4 4 LYS CG C 24.4500 0.3 1 34 4 4 LYS N N 129.2310 0.2 1 35 5 5 ILE H H 8.9360 0.02 1 36 5 5 ILE HA H 3.6180 0.02 1 37 5 5 ILE HB H 2.2140 0.02 1 38 5 5 ILE HD1 H 0.7470 0.02 1 39 5 5 ILE HG12 H 1.4540 0.02 2 40 5 5 ILE HG13 H 1.3190 0.02 2 41 5 5 ILE HG2 H 0.7140 0.02 1 42 5 5 ILE C C 177.3230 0.3 1 43 5 5 ILE CA C 62.8370 0.3 1 44 5 5 ILE CB C 34.8570 0.3 1 45 5 5 ILE CD1 C 11.6810 0.3 1 46 5 5 ILE CG1 C 27.4250 0.3 1 47 5 5 ILE CG2 C 18.8230 0.3 1 48 5 5 ILE N N 129.4910 0.2 1 49 6 6 GLY H H 9.5480 0.02 1 50 6 6 GLY HA2 H 3.0590 0.02 2 51 6 6 GLY HA3 H 4.1370 0.02 2 52 6 6 GLY C C 170.9890 0.3 1 53 6 6 GLY CA C 45.0610 0.3 1 54 6 6 GLY N N 116.4520 0.2 1 55 7 7 ASP H H 7.8840 0.02 1 56 7 7 ASP HA H 4.7720 0.02 1 57 7 7 ASP HB2 H 1.7220 0.02 2 58 7 7 ASP HB3 H 3.0020 0.02 2 59 7 7 ASP C C 176.3320 0.3 1 60 7 7 ASP CA C 51.7310 0.3 1 61 7 7 ASP CB C 39.2430 0.3 1 62 7 7 ASP N N 117.5580 0.2 1 63 8 8 ILE H H 7.9750 0.02 1 64 8 8 ILE HA H 3.4670 0.02 1 65 8 8 ILE HB H 1.8070 0.02 1 66 8 8 ILE HD1 H 0.9070 0.02 1 67 8 8 ILE HG12 H 1.5500 0.02 2 68 8 8 ILE HG13 H 1.5500 0.02 2 69 8 8 ILE HG2 H 0.9070 0.02 1 70 8 8 ILE C C 177.5250 0.3 1 71 8 8 ILE CA C 64.2470 0.3 1 72 8 8 ILE CB C 39.0140 0.3 1 73 8 8 ILE CD1 C 13.6650 0.3 1 74 8 8 ILE CG1 C 29.2800 0.3 1 75 8 8 ILE CG2 C 19.8900 0.3 1 76 8 8 ILE N N 125.5840 0.2 1 77 9 9 ASP H H 8.6070 0.02 1 78 9 9 ASP HA H 4.4600 0.02 1 79 9 9 ASP HB2 H 2.3780 0.02 2 80 9 9 ASP HB3 H 2.9930 0.02 2 81 9 9 ASP C C 178.0740 0.3 1 82 9 9 ASP CA C 53.7360 0.3 1 83 9 9 ASP CB C 39.3650 0.3 1 84 9 9 ASP N N 116.0470 0.2 1 85 10 10 GLY H H 7.3240 0.02 1 86 10 10 GLY HA2 H 3.6620 0.02 2 87 10 10 GLY HA3 H 3.8730 0.02 2 88 10 10 GLY C C 174.9810 0.3 1 89 10 10 GLY CA C 47.2710 0.3 1 90 10 10 GLY N N 108.7270 0.2 1 91 11 11 ASN H H 8.2920 0.02 1 92 11 11 ASN HA H 4.6000 0.02 1 93 11 11 ASN HB2 H 2.5850 0.02 2 94 11 11 ASN HB3 H 3.2990 0.02 2 95 11 11 ASN HD21 H 8.0560 0.02 2 96 11 11 ASN HD22 H 7.1310 0.02 2 97 11 11 ASN C C 176.3560 0.3 1 98 11 11 ASN CA C 52.7440 0.3 1 99 11 11 ASN CB C 38.1640 0.3 1 100 11 11 ASN N N 120.3320 0.2 1 101 11 11 ASN ND2 N 117.5900 0.2 1 102 12 12 GLY H H 10.6010 0.02 1 103 12 12 GLY HA2 H 3.3240 0.02 2 104 12 12 GLY HA3 H 4.2990 0.02 2 105 12 12 GLY C C 173.1440 0.3 1 106 12 12 GLY CA C 45.4830 0.3 1 107 12 12 GLY N N 113.6610 0.2 1 108 13 13 GLU H H 7.6060 0.02 1 109 13 13 GLU HA H 4.7720 0.02 1 110 13 13 GLU HB2 H 1.8160 0.02 2 111 13 13 GLU HB3 H 1.9750 0.02 2 112 13 13 GLU HG2 H 2.1190 0.02 2 113 13 13 GLU HG3 H 2.1190 0.02 2 114 13 13 GLU C C 174.8630 0.3 1 115 13 13 GLU CA C 53.4530 0.3 1 116 13 13 GLU CB C 33.0710 0.3 1 117 13 13 GLU CG C 34.9570 0.3 1 118 13 13 GLU N N 117.8630 0.2 1 119 14 14 ILE H H 9.4230 0.02 1 120 14 14 ILE HA H 4.8170 0.02 1 121 14 14 ILE HB H 2.0280 0.02 1 122 14 14 ILE HD1 H 0.5570 0.02 1 123 14 14 ILE HG12 H 1.0260 0.02 2 124 14 14 ILE HG13 H 1.2250 0.02 2 125 14 14 ILE HG2 H 0.8160 0.02 1 126 14 14 ILE C C 175.1710 0.3 1 127 14 14 ILE CA C 60.2140 0.3 1 128 14 14 ILE CB C 35.8950 0.3 1 129 14 14 ILE CD1 C 12.2960 0.3 1 130 14 14 ILE CG1 C 27.8090 0.3 1 131 14 14 ILE CG2 C 18.4390 0.3 1 132 14 14 ILE N N 128.4560 0.2 1 133 15 15 SER H H 10.4190 0.02 1 134 15 15 SER HA H 5.1320 0.02 1 135 15 15 SER HB2 H 4.4510 0.02 2 136 15 15 SER HB3 H 3.7850 0.02 2 137 15 15 SER C C 175.0990 0.3 1 138 15 15 SER CA C 56.9250 0.3 1 139 15 15 SER CB C 69.0420 0.3 1 140 15 15 SER N N 126.0780 0.2 1 141 16 16 SER H H 9.2120 0.02 1 142 16 16 SER HA H 4.0850 0.02 1 143 16 16 SER HB2 H 4.0170 0.02 2 144 16 16 SER HB3 H 4.0170 0.02 2 145 16 16 SER C C 176.4600 0.3 1 146 16 16 SER CA C 61.9290 0.3 1 147 16 16 SER CB C 62.4370 0.3 1 148 16 16 SER N N 115.8590 0.2 1 149 17 17 ILE H H 8.0930 0.02 1 150 17 17 ILE HA H 3.9870 0.02 1 151 17 17 ILE HB H 1.6810 0.02 1 152 17 17 ILE HD1 H 0.8610 0.02 1 153 17 17 ILE HG12 H 1.3120 0.02 2 154 17 17 ILE HG13 H 1.5730 0.02 2 155 17 17 ILE HG2 H 0.9330 0.02 1 156 17 17 ILE C C 177.5490 0.3 1 157 17 17 ILE CA C 64.2650 0.3 1 158 17 17 ILE CB C 37.4110 0.3 1 159 17 17 ILE CD1 C 11.8350 0.3 1 160 17 17 ILE CG1 C 28.5000 0.3 1 161 17 17 ILE CG2 C 17.7480 0.3 1 162 17 17 ILE N N 124.5580 0.2 1 163 18 18 ASP H H 7.3980 0.02 1 164 18 18 ASP HA H 4.2900 0.02 1 165 18 18 ASP HB2 H 3.0690 0.02 2 166 18 18 ASP HB3 H 3.3340 0.02 2 167 18 18 ASP C C 177.1900 0.3 1 168 18 18 ASP CA C 59.1700 0.3 1 169 18 18 ASP CB C 41.5310 0.3 1 170 18 18 ASP N N 118.6200 0.2 1 171 19 19 TYR H H 6.9500 0.02 1 172 19 19 TYR HA H 3.9210 0.02 1 173 19 19 TYR HB2 H 3.3310 0.02 2 174 19 19 TYR HB3 H 2.8320 0.02 2 175 19 19 TYR HD1 H 6.9920 0.02 3 176 19 19 TYR HD2 H 6.9920 0.02 3 177 19 19 TYR C C 175.3550 0.3 1 178 19 19 TYR CA C 61.8620 0.3 1 179 19 19 TYR CB C 38.6640 0.3 1 180 19 19 TYR CD1 C 132.7310 0.3 3 181 19 19 TYR CD2 C 132.7310 0.3 3 182 19 19 TYR N N 116.1260 0.2 1 183 20 20 ALA H H 8.2610 0.02 1 184 20 20 ALA HA H 3.9520 0.02 1 185 20 20 ALA HB H 1.6590 0.02 1 186 20 20 ALA C C 181.3110 0.3 1 187 20 20 ALA CA C 55.5500 0.3 1 188 20 20 ALA CB C 18.1730 0.3 1 189 20 20 ALA N N 122.2390 0.2 1 190 21 21 ILE H H 8.3840 0.02 1 191 21 21 ILE HA H 3.8000 0.02 1 192 21 21 ILE HB H 1.8920 0.02 1 193 21 21 ILE HD1 H 0.8050 0.02 1 194 21 21 ILE HG12 H 1.1000 0.02 2 195 21 21 ILE HG13 H 1.1000 0.02 2 196 21 21 ILE HG2 H 0.9940 0.02 1 197 21 21 ILE C C 179.1830 0.3 1 198 21 21 ILE CA C 65.2700 0.3 1 199 21 21 ILE CB C 38.3140 0.3 1 200 21 21 ILE CD1 C 15.0720 0.3 1 201 21 21 ILE CG1 C 28.8070 0.3 1 202 21 21 ILE CG2 C 17.5500 0.3 1 203 21 21 ILE N N 118.7160 0.2 1 204 22 22 LEU H H 7.7970 0.02 1 205 22 22 LEU HA H 4.0370 0.02 1 206 22 22 LEU HB2 H 1.8480 0.02 2 207 22 22 LEU HB3 H 1.3960 0.02 2 208 22 22 LEU HD1 H 0.9200 0.02 2 209 22 22 LEU HD2 H 0.8670 0.02 2 210 22 22 LEU C C 177.1270 0.3 1 211 22 22 LEU CA C 58.2830 0.3 1 212 22 22 LEU CB C 40.1200 0.3 1 213 22 22 LEU CD1 C 23.7110 0.3 2 214 22 22 LEU CD2 C 24.9000 0.3 2 215 22 22 LEU N N 123.1230 0.2 1 216 23 23 LYS H H 8.6550 0.02 1 217 23 23 LYS HA H 3.6230 0.02 1 218 23 23 LYS HB2 H 1.3330 0.02 2 219 23 23 LYS HB3 H 1.8130 0.02 2 220 23 23 LYS HD2 H 1.6620 0.02 2 221 23 23 LYS HD3 H 1.5590 0.02 2 222 23 23 LYS HE2 H 2.9860 0.02 2 223 23 23 LYS HE3 H 2.8630 0.02 2 224 23 23 LYS HG2 H 1.2890 0.02 2 225 23 23 LYS C C 178.8140 0.3 1 226 23 23 LYS CA C 60.3870 0.3 1 227 23 23 LYS CB C 32.3850 0.3 1 228 23 23 LYS CD C 29.2370 0.3 1 229 23 23 LYS CE C 42.3670 0.3 1 230 23 23 LYS CG C 24.6390 0.3 1 231 23 23 LYS N N 119.2150 0.2 1 232 24 24 SER H H 7.7510 0.02 1 233 24 24 SER HA H 4.2120 0.02 1 234 24 24 SER HB2 H 4.0450 0.02 2 235 24 24 SER HB3 H 4.0450 0.02 2 236 24 24 SER C C 176.8420 0.3 1 237 24 24 SER CA C 61.2330 0.3 1 238 24 24 SER CB C 63.0880 0.3 1 239 24 24 SER N N 111.3070 0.2 1 240 25 25 HIS HA H 4.7730 0.02 1 241 25 25 HIS HB2 H 1.9950 0.02 2 242 25 25 HIS HB3 H 1.9950 0.02 2 243 25 25 HIS CA C 55.6770 0.3 1 244 25 25 HIS CB C 30.9860 0.3 1 245 26 26 LEU H H 8.0240 0.02 1 246 26 26 LEU HA H 4.2110 0.02 1 247 26 26 LEU HB2 H 0.7610 0.02 2 248 26 26 LEU HB3 H 1.2050 0.02 2 249 26 26 LEU HD1 H 0.3870 0.02 2 250 26 26 LEU HD2 H 0.3870 0.02 2 251 26 26 LEU C C 177.9230 0.3 1 252 26 26 LEU CA C 51.7700 0.3 1 253 26 26 LEU CB C 45.2480 0.3 1 254 26 26 LEU CD1 C 25.3500 0.3 2 255 26 26 LEU CD2 C 25.3500 0.3 2 256 26 26 LEU N N 122.3630 0.2 1 257 27 27 ILE H H 7.2780 0.02 1 258 27 27 ILE HA H 3.9760 0.02 1 259 27 27 ILE HB H 1.9340 0.02 1 260 27 27 ILE HD1 H 0.8380 0.02 1 261 27 27 ILE HG12 H 1.1220 0.02 2 262 27 27 ILE HG13 H 1.6720 0.02 2 263 27 27 ILE HG2 H 0.9070 0.02 1 264 27 27 ILE C C 176.2950 0.3 1 265 27 27 ILE CA C 63.3660 0.3 1 266 27 27 ILE CB C 38.2170 0.3 1 267 27 27 ILE CD1 C 12.9140 0.3 1 268 27 27 ILE CG1 C 27.9220 0.3 1 269 27 27 ILE CG2 C 17.4170 0.3 1 270 27 27 ILE N N 118.6610 0.2 1 271 28 28 ASN H H 7.9550 0.02 1 272 28 28 ASN HA H 4.7580 0.02 1 273 28 28 ASN HB2 H 2.6680 0.02 2 274 28 28 ASN HB3 H 2.6680 0.02 2 275 28 28 ASN HD21 H 7.6240 0.02 2 276 28 28 ASN HD22 H 6.9020 0.02 2 277 28 28 ASN C C 173.4220 0.3 1 278 28 28 ASN CA C 53.5280 0.3 1 279 28 28 ASN CB C 40.7330 0.3 1 280 28 28 ASN N N 118.0430 0.2 1 281 28 28 ASN ND2 N 113.8960 0.2 1 282 31 31 LEU HA H 4.5340 0.02 1 283 31 31 LEU HB2 H 1.6420 0.02 2 284 31 31 LEU HB3 H 1.6420 0.02 2 285 31 31 LEU HD1 H 0.5840 0.02 2 286 31 31 LEU HD2 H 0.8120 0.02 2 287 31 31 LEU HG H 1.5520 0.02 1 288 31 31 LEU C C 178.2480 0.3 1 289 31 31 LEU CA C 55.3320 0.3 1 290 31 31 LEU CB C 41.7600 0.3 1 291 31 31 LEU CD1 C 22.4300 0.3 2 292 31 31 LEU CD2 C 25.2200 0.3 2 293 31 31 LEU CG C 25.7000 0.3 1 294 32 32 THR H H 8.7780 0.02 1 295 32 32 THR HA H 4.2650 0.02 1 296 32 32 THR HB H 4.5850 0.02 1 297 32 32 THR HG2 H 1.2300 0.02 1 298 32 32 THR C C 175.2740 0.3 1 299 32 32 THR CA C 61.0600 0.3 1 300 32 32 THR CB C 70.5490 0.3 1 301 32 32 THR CG2 C 21.5300 0.3 1 302 32 32 THR N N 112.0400 0.2 1 303 33 33 PHE H H 8.7230 0.02 1 304 33 33 PHE HA H 4.6610 0.02 1 305 33 33 PHE HB2 H 3.6530 0.02 2 306 33 33 PHE HB3 H 3.0840 0.02 2 307 33 33 PHE HD1 H 7.2230 0.02 3 308 33 33 PHE HD2 H 7.2230 0.02 3 309 33 33 PHE HE1 H 7.0430 0.02 3 310 33 33 PHE HE2 H 7.0430 0.02 3 311 33 33 PHE C C 179.7160 0.3 1 312 33 33 PHE CA C 57.8730 0.3 1 313 33 33 PHE CB C 35.4470 0.3 1 314 33 33 PHE CD1 C 130.1020 0.3 3 315 33 33 PHE CD2 C 130.1020 0.3 3 316 33 33 PHE CE1 C 131.0000 0.3 3 317 33 33 PHE CE2 C 131.0000 0.3 3 318 33 33 PHE N N 118.3130 0.2 1 319 34 34 LYS H H 8.8400 0.02 1 320 34 34 LYS HA H 2.8290 0.02 1 321 34 34 LYS HB2 H 1.3950 0.02 2 322 34 34 LYS HB3 H 1.3950 0.02 2 323 34 34 LYS HD2 H 1.5590 0.02 2 324 34 34 LYS HD3 H 1.6620 0.02 2 325 34 34 LYS HE2 H 2.9910 0.02 2 326 34 34 LYS HE3 H 2.8630 0.02 2 327 34 34 LYS HG2 H 1.0050 0.02 2 328 34 34 LYS HG3 H 1.0050 0.02 2 329 34 34 LYS C C 177.4260 0.3 1 330 34 34 LYS CA C 60.0460 0.3 1 331 34 34 LYS CB C 32.4580 0.3 1 332 34 34 LYS CD C 29.2350 0.3 1 333 34 34 LYS CE C 42.2730 0.3 1 334 34 34 LYS CG C 24.6390 0.3 1 335 34 34 LYS N N 122.4110 0.2 1 336 35 35 GLN H H 7.1840 0.02 1 337 35 35 GLN HA H 3.8440 0.02 1 338 35 35 GLN HB2 H 2.3530 0.02 2 339 35 35 GLN HB3 H 1.6440 0.02 2 340 35 35 GLN HE21 H 6.9750 0.02 2 341 35 35 GLN HE22 H 6.8130 0.02 2 342 35 35 GLN HG2 H 2.8270 0.02 2 343 35 35 GLN HG3 H 2.7830 0.02 2 344 35 35 GLN C C 178.1990 0.3 1 345 35 35 GLN CA C 58.9580 0.3 1 346 35 35 GLN CB C 30.2500 0.3 1 347 35 35 GLN CG C 34.6750 0.3 1 348 35 35 GLN N N 116.5470 0.2 1 349 35 35 GLN NE2 N 110.6130 0.2 1 350 36 36 LEU H H 8.4330 0.02 1 351 36 36 LEU HA H 3.6860 0.02 1 352 36 36 LEU HB2 H 1.0930 0.02 2 353 36 36 LEU HB3 H 1.0930 0.02 2 354 36 36 LEU HD1 H 0.6860 0.02 2 355 36 36 LEU HD2 H 0.9950 0.02 2 356 36 36 LEU HG H 1.6500 0.02 1 357 36 36 LEU C C 177.5180 0.3 1 358 36 36 LEU CA C 57.8150 0.3 1 359 36 36 LEU CB C 42.7370 0.3 1 360 36 36 LEU CD1 C 24.3300 0.3 2 361 36 36 LEU CD2 C 26.4000 0.3 2 362 36 36 LEU CG C 26.2340 0.3 1 363 36 36 LEU N N 119.1200 0.2 1 364 37 37 ALA H H 7.1720 0.02 1 365 37 37 ALA HA H 3.8660 0.02 1 366 37 37 ALA HB H 1.1840 0.02 1 367 37 37 ALA C C 179.8030 0.3 1 368 37 37 ALA CA C 55.2170 0.3 1 369 37 37 ALA CB C 17.1640 0.3 1 370 37 37 ALA N N 117.8690 0.2 1 371 38 38 ALA H H 7.2470 0.02 1 372 38 38 ALA HA H 3.7640 0.02 1 373 38 38 ALA HB H 1.2150 0.02 1 374 38 38 ALA C C 177.5830 0.3 1 375 38 38 ALA CA C 54.1710 0.3 1 376 38 38 ALA CB C 19.2160 0.3 1 377 38 38 ALA N N 117.5940 0.2 1 378 39 39 ALA H H 7.7850 0.02 1 379 39 39 ALA HA H 3.8580 0.02 1 380 39 39 ALA HB H 1.3560 0.02 1 381 39 39 ALA C C 175.6420 0.3 1 382 39 39 ALA CA C 52.4340 0.3 1 383 39 39 ALA CB C 20.6370 0.3 1 384 39 39 ALA N N 117.6490 0.2 1 385 40 40 ASP H H 6.7580 0.02 1 386 40 40 ASP HA H 4.8200 0.02 1 387 40 40 ASP HB2 H 2.6070 0.02 2 388 40 40 ASP HB3 H 2.4530 0.02 2 389 40 40 ASP C C 177.8960 0.3 1 390 40 40 ASP CA C 52.2840 0.3 1 391 40 40 ASP CB C 38.7900 0.3 1 392 40 40 ASP N N 114.8580 0.2 1 393 41 41 VAL H H 8.3920 0.02 1 394 41 41 VAL HA H 3.7490 0.02 1 395 41 41 VAL HB H 2.1150 0.02 1 396 41 41 VAL HG1 H 0.9070 0.02 2 397 41 41 VAL HG2 H 1.1320 0.02 2 398 41 41 VAL C C 176.9640 0.3 1 399 41 41 VAL CA C 64.1370 0.3 1 400 41 41 VAL CB C 31.2030 0.3 1 401 41 41 VAL CG1 C 21.5600 0.3 2 402 41 41 VAL CG2 C 21.5600 0.3 2 403 41 41 VAL N N 122.5550 0.2 1 404 42 42 ASP H H 8.2980 0.02 1 405 42 42 ASP HA H 4.5850 0.02 1 406 42 42 ASP HB2 H 3.0680 0.02 2 407 42 42 ASP HB3 H 2.4350 0.02 2 408 42 42 ASP C C 178.1930 0.3 1 409 42 42 ASP CA C 53.0020 0.3 1 410 42 42 ASP CB C 39.8000 0.3 1 411 42 42 ASP N N 117.1000 0.2 1 412 43 43 GLY H H 7.4130 0.02 1 413 43 43 GLY HA2 H 3.8850 0.02 2 414 43 43 GLY HA3 H 3.7300 0.02 2 415 43 43 GLY C C 174.9040 0.3 1 416 43 43 GLY CA C 47.2450 0.3 1 417 43 43 GLY N N 107.9940 0.2 1 418 44 44 ASN H H 8.1480 0.02 1 419 44 44 ASN HA H 4.6800 0.02 1 420 44 44 ASN HB2 H 2.7400 0.02 2 421 44 44 ASN HB3 H 3.4520 0.02 2 422 44 44 ASN HD21 H 8.0650 0.02 2 423 44 44 ASN HD22 H 7.0720 0.02 2 424 44 44 ASN C C 176.0120 0.3 1 425 44 44 ASN CA C 52.2950 0.3 1 426 44 44 ASN CB C 37.6100 0.3 1 427 44 44 ASN N N 118.8730 0.2 1 428 44 44 ASN ND2 N 116.5400 0.2 1 429 45 45 GLY H H 10.4060 0.02 1 430 45 45 GLY HA2 H 3.2670 0.02 2 431 45 45 GLY HA3 H 4.1300 0.02 2 432 45 45 GLY C C 172.6960 0.3 1 433 45 45 GLY CA C 45.5210 0.3 1 434 45 45 GLY N N 113.2720 0.2 1 435 46 46 TYR H H 7.4830 0.02 1 436 46 46 TYR HA H 4.8970 0.02 1 437 46 46 TYR HB2 H 2.4510 0.02 2 438 46 46 TYR HB3 H 3.0710 0.02 2 439 46 46 TYR HD1 H 7.1260 0.02 3 440 46 46 TYR HD2 H 7.1260 0.02 3 441 46 46 TYR HE1 H 6.8980 0.02 3 442 46 46 TYR HE2 H 6.8980 0.02 3 443 46 46 TYR C C 174.8290 0.3 1 444 46 46 TYR CA C 57.1130 0.3 1 445 46 46 TYR CB C 41.7000 0.3 1 446 46 46 TYR CD1 C 133.6670 0.3 3 447 46 46 TYR CD2 C 133.6670 0.3 3 448 46 46 TYR CE1 C 118.2180 0.3 3 449 46 46 TYR CE2 C 118.2180 0.3 3 450 46 46 TYR N N 117.7020 0.2 1 451 47 47 VAL H H 10.1350 0.02 1 452 47 47 VAL HA H 4.7420 0.02 1 453 47 47 VAL HB H 2.0540 0.02 1 454 47 47 VAL HG1 H 0.8390 0.02 2 455 47 47 VAL HG2 H 0.8100 0.02 2 456 47 47 VAL C C 175.3260 0.3 1 457 47 47 VAL CA C 62.5170 0.3 1 458 47 47 VAL CB C 31.2110 0.3 1 459 47 47 VAL CG1 C 23.2500 0.3 2 460 47 47 VAL CG2 C 22.4630 0.3 2 461 47 47 VAL N N 128.2490 0.2 1 462 48 48 ASN H H 10.1710 0.02 1 463 48 48 ASN HA H 4.9680 0.02 1 464 48 48 ASN HB2 H 3.4970 0.02 2 465 48 48 ASN HB3 H 3.0540 0.02 2 466 48 48 ASN HD21 H 7.9560 0.02 2 467 48 48 ASN HD22 H 7.0330 0.02 2 468 48 48 ASN C C 176.1190 0.3 1 469 48 48 ASN CA C 52.3080 0.3 1 470 48 48 ASN CB C 40.0320 0.3 1 471 48 48 ASN N N 127.7860 0.2 1 472 48 48 ASN ND2 N 113.6080 0.2 1 473 49 49 SER H H 8.6600 0.02 1 474 49 49 SER HA H 4.1370 0.02 1 475 49 49 SER HB2 H 4.0520 0.02 2 476 49 49 SER HB3 H 4.0520 0.02 2 477 49 49 SER C C 176.4180 0.3 1 478 49 49 SER CA C 61.5330 0.3 1 479 49 49 SER CB C 62.7510 0.3 1 480 49 49 SER N N 112.3960 0.2 1 481 50 50 ILE H H 8.0790 0.02 1 482 50 50 ILE HA H 3.9750 0.02 1 483 50 50 ILE HB H 2.0050 0.02 1 484 50 50 ILE HD1 H 0.8630 0.02 1 485 50 50 ILE HG12 H 1.2160 0.02 2 486 50 50 ILE HG13 H 1.5470 0.02 2 487 50 50 ILE HG2 H 1.0100 0.02 1 488 50 50 ILE C C 178.2230 0.3 1 489 50 50 ILE CA C 64.4540 0.3 1 490 50 50 ILE CB C 36.7960 0.3 1 491 50 50 ILE CD1 C 11.8830 0.3 1 492 50 50 ILE CG1 C 28.5780 0.3 1 493 50 50 ILE CG2 C 17.6980 0.3 1 494 50 50 ILE N N 125.8750 0.2 1 495 51 51 ASP H H 7.3080 0.02 1 496 51 51 ASP HA H 4.3660 0.02 1 497 51 51 ASP HB2 H 3.2640 0.02 2 498 51 51 ASP HB3 H 3.2640 0.02 2 499 51 51 ASP C C 177.7990 0.3 1 500 51 51 ASP CA C 58.7700 0.3 1 501 51 51 ASP CB C 41.3970 0.3 1 502 51 51 ASP N N 118.0900 0.2 1 503 52 52 LEU H H 7.0020 0.02 1 504 52 52 LEU HA H 4.0130 0.02 1 505 52 52 LEU HB2 H 1.2150 0.02 2 506 52 52 LEU HB3 H 2.1620 0.02 2 507 52 52 LEU HD1 H 0.8290 0.02 2 508 52 52 LEU HD2 H 0.8340 0.02 2 509 52 52 LEU HG H 1.7870 0.02 1 510 52 52 LEU C C 177.5430 0.3 1 511 52 52 LEU CA C 58.6740 0.3 1 512 52 52 LEU CB C 42.1850 0.3 1 513 52 52 LEU CD1 C 22.6690 0.3 2 514 52 52 LEU CD2 C 25.7600 0.3 2 515 52 52 LEU CG C 26.0000 0.3 1 516 52 52 LEU N N 116.5060 0.2 1 517 53 53 ALA H H 7.8970 0.02 1 518 53 53 ALA HA H 4.3430 0.02 1 519 53 53 ALA HB H 1.6610 0.02 1 520 53 53 ALA C C 180.8770 0.3 1 521 53 53 ALA CA C 55.2160 0.3 1 522 53 53 ALA CB C 18.1330 0.3 1 523 53 53 ALA N N 121.3190 0.2 1 524 54 54 ILE H H 8.3570 0.02 1 525 54 54 ILE HA H 3.8000 0.02 1 526 54 54 ILE HB H 1.8640 0.02 1 527 54 54 ILE HD1 H 0.9410 0.02 1 528 54 54 ILE HG12 H 1.1030 0.02 2 529 54 54 ILE HG13 H 1.1030 0.02 2 530 54 54 ILE HG2 H 0.9950 0.02 1 531 54 54 ILE C C 179.0170 0.3 1 532 54 54 ILE CA C 65.5960 0.3 1 533 54 54 ILE CB C 38.4720 0.3 1 534 54 54 ILE CD1 C 15.0720 0.3 1 535 54 54 ILE CG1 C 29.2350 0.3 1 536 54 54 ILE CG2 C 17.8860 0.3 1 537 54 54 ILE N N 120.6240 0.2 1 538 55 55 LEU H H 8.3020 0.02 1 539 55 55 LEU HA H 4.2570 0.02 1 540 55 55 LEU HB2 H 1.5980 0.02 2 541 55 55 LEU HB3 H 2.3820 0.02 2 542 55 55 LEU HD1 H 1.0290 0.02 2 543 55 55 LEU HD2 H 0.9950 0.02 2 544 55 55 LEU HG H 1.8480 0.02 1 545 55 55 LEU C C 178.0650 0.3 1 546 55 55 LEU CA C 58.3670 0.3 1 547 55 55 LEU CB C 42.2780 0.3 1 548 55 55 LEU CD1 C 23.7010 0.3 2 549 55 55 LEU CD2 C 26.4000 0.3 2 550 55 55 LEU CG C 27.9220 0.3 1 551 55 55 LEU N N 122.5200 0.2 1 552 56 56 GLN H H 8.7990 0.02 1 553 56 56 GLN HA H 3.7850 0.02 1 554 56 56 GLN HB2 H 2.3960 0.02 2 555 56 56 GLN HB3 H 2.3960 0.02 2 556 56 56 GLN HE21 H 7.1520 0.02 2 557 56 56 GLN HE22 H 6.7550 0.02 2 558 56 56 GLN HG2 H 2.0930 0.02 2 559 56 56 GLN HG3 H 2.0930 0.02 2 560 56 56 GLN C C 178.2790 0.3 1 561 56 56 GLN CA C 59.6160 0.3 1 562 56 56 GLN CB C 28.5910 0.3 1 563 56 56 GLN CG C 33.4560 0.3 1 564 56 56 GLN N N 119.2420 0.2 1 565 56 56 GLN NE2 N 110.9140 0.2 1 566 57 57 MET H H 8.1440 0.02 1 567 57 57 MET HA H 4.0300 0.02 1 568 57 57 MET HB2 H 1.9900 0.02 2 569 57 57 MET HB3 H 2.3710 0.02 2 570 57 57 MET HE H 2.0710 0.02 1 571 57 57 MET HG2 H 2.8250 0.02 2 572 57 57 MET HG3 H 2.6790 0.02 2 573 57 57 MET C C 178.7780 0.3 1 574 57 57 MET CA C 58.8520 0.3 1 575 57 57 MET CB C 32.4330 0.3 1 576 57 57 MET CE C 17.5000 0.3 1 577 57 57 MET CG C 32.4330 0.3 1 578 57 57 MET N N 116.9670 0.2 1 579 58 58 TYR H H 8.3620 0.02 1 580 58 58 TYR HA H 4.1240 0.02 1 581 58 58 TYR HB2 H 3.1460 0.02 2 582 58 58 TYR HB3 H 3.4240 0.02 2 583 58 58 TYR HD1 H 6.9610 0.02 3 584 58 58 TYR HD2 H 6.9610 0.02 3 585 58 58 TYR HE1 H 6.7290 0.02 3 586 58 58 TYR HE2 H 6.7290 0.02 3 587 58 58 TYR C C 180.0920 0.3 1 588 58 58 TYR CA C 61.6080 0.3 1 589 58 58 TYR CB C 38.5640 0.3 1 590 58 58 TYR CD1 C 133.1100 0.3 3 591 58 58 TYR CD2 C 133.1100 0.3 3 592 58 58 TYR CE1 C 118.5890 0.3 3 593 58 58 TYR CE2 C 118.5890 0.3 3 594 58 58 TYR N N 121.0650 0.2 1 595 59 59 LEU H H 8.3310 0.02 1 596 59 59 LEU HA H 3.9870 0.02 1 597 59 59 LEU HB2 H 1.4810 0.02 2 598 59 59 LEU HB3 H 1.9950 0.02 2 599 59 59 LEU HD1 H 0.9260 0.02 2 600 59 59 LEU HD2 H 0.8630 0.02 2 601 59 59 LEU HG H 2.0330 0.02 1 602 59 59 LEU C C 178.4870 0.3 1 603 59 59 LEU CA C 57.3300 0.3 1 604 59 59 LEU CB C 41.2740 0.3 1 605 59 59 LEU CD1 C 22.3880 0.3 2 606 59 59 LEU CD2 C 26.8900 0.3 2 607 59 59 LEU CG C 26.8900 0.3 1 608 59 59 LEU N N 122.2490 0.2 1 609 60 60 LEU H H 7.6720 0.02 1 610 60 60 LEU HA H 4.3410 0.02 1 611 60 60 LEU HB2 H 1.7780 0.02 2 612 60 60 LEU HB3 H 1.6530 0.02 2 613 60 60 LEU HD1 H 0.8130 0.02 2 614 60 60 LEU HD2 H 0.8350 0.02 2 615 60 60 LEU HG H 1.7800 0.02 1 616 60 60 LEU C C 177.4890 0.3 1 617 60 60 LEU CA C 54.8880 0.3 1 618 60 60 LEU CB C 42.6280 0.3 1 619 60 60 LEU CD1 C 22.2000 0.3 2 620 60 60 LEU CD2 C 25.4830 0.3 2 621 60 60 LEU CG C 25.4830 0.3 1 622 60 60 LEU N N 117.9480 0.2 1 623 61 61 GLY H H 7.7770 0.02 1 624 61 61 GLY HA2 H 3.8350 0.02 2 625 61 61 GLY HA3 H 4.0850 0.02 2 626 61 61 GLY C C 175.2510 0.3 1 627 61 61 GLY CA C 46.1810 0.3 1 628 61 61 GLY N N 107.8100 0.2 1 629 62 62 LYS H H 7.9770 0.02 1 630 62 62 LYS HA H 4.5460 0.02 1 631 62 62 LYS HB2 H 1.5830 0.02 2 632 62 62 LYS HB3 H 2.0280 0.02 2 633 62 62 LYS HD2 H 1.6680 0.02 2 634 62 62 LYS HD3 H 1.6310 0.02 2 635 62 62 LYS HE2 H 3.0000 0.02 2 636 62 62 LYS HE3 H 2.9540 0.02 2 637 62 62 LYS HG2 H 1.3530 0.02 2 638 62 62 LYS HG3 H 1.2900 0.02 2 639 62 62 LYS C C 176.3250 0.3 1 640 62 62 LYS CA C 54.8340 0.3 1 641 62 62 LYS CB C 33.1010 0.3 1 642 62 62 LYS CD C 28.8600 0.3 1 643 62 62 LYS CE C 42.2730 0.3 1 644 62 62 LYS CG C 24.9200 0.3 1 645 62 62 LYS N N 118.9710 0.2 1 646 63 63 GLY H H 8.4730 0.02 1 647 63 63 GLY HA2 H 3.8740 0.02 2 648 63 63 GLY HA3 H 4.1000 0.02 2 649 63 63 GLY C C 174.7520 0.3 1 650 63 63 GLY CA C 45.5900 0.3 1 651 63 63 GLY N N 108.9490 0.2 1 652 64 64 GLY H H 8.4370 0.02 1 653 64 64 GLY HA2 H 4.1000 0.02 2 654 64 64 GLY HA3 H 4.1000 0.02 2 655 64 64 GLY C C 174.5710 0.3 1 656 64 64 GLY CA C 45.4190 0.3 1 657 64 64 GLY N N 109.3920 0.2 1 658 65 65 THR H H 8.3040 0.02 1 659 65 65 THR HA H 4.4920 0.02 1 660 65 65 THR HB H 4.3120 0.02 1 661 65 65 THR HG2 H 1.2270 0.02 1 662 65 65 THR C C 174.5440 0.3 1 663 65 65 THR CA C 62.0350 0.3 1 664 65 65 THR CB C 69.2520 0.3 1 665 65 65 THR CG2 C 21.6700 0.3 1 666 65 65 THR N N 114.9710 0.2 1 667 66 66 SER H H 8.3280 0.02 1 668 66 66 SER HA H 4.5880 0.02 1 669 66 66 SER HB2 H 3.9680 0.02 2 670 66 66 SER HB3 H 3.9680 0.02 2 671 66 66 SER C C 173.9270 0.3 1 672 66 66 SER CA C 58.9410 0.3 1 673 66 66 SER CB C 65.4090 0.3 1 674 66 66 SER N N 119.8430 0.2 1 675 67 67 ASP H H 8.8180 0.02 1 676 67 67 ASP HA H 4.6870 0.02 1 677 67 67 ASP HB2 H 2.5440 0.02 2 678 67 67 ASP HB3 H 2.9430 0.02 2 679 67 67 ASP C C 175.2880 0.3 1 680 67 67 ASP CA C 54.1390 0.3 1 681 67 67 ASP CB C 40.8480 0.3 1 682 67 67 ASP N N 118.6810 0.2 1 683 68 68 ILE H H 7.6690 0.02 1 684 68 68 ILE HA H 3.1150 0.02 1 685 68 68 ILE HB H 1.1210 0.02 1 686 68 68 ILE HD1 H 0.7450 0.02 1 687 68 68 ILE HG12 H 0.5730 0.02 2 688 68 68 ILE HG13 H 1.5910 0.02 2 689 68 68 ILE HG2 H -0.0050 0.02 1 690 68 68 ILE C C 177.0590 0.3 1 691 68 68 ILE CA C 64.3660 0.3 1 692 68 68 ILE CB C 36.8130 0.3 1 693 68 68 ILE CD1 C 15.0900 0.3 1 694 68 68 ILE CG1 C 30.4540 0.3 1 695 68 68 ILE CG2 C 16.8400 0.3 1 696 68 68 ILE N N 118.8800 0.2 1 697 69 69 GLY H H 9.1630 0.02 1 698 69 69 GLY HA2 H 3.1390 0.02 2 699 69 69 GLY HA3 H 4.3950 0.02 2 700 69 69 GLY C C 174.0430 0.3 1 701 69 69 GLY CA C 44.8600 0.3 1 702 69 69 GLY N N 115.1410 0.2 1 703 70 70 LYS H H 8.0730 0.02 1 704 70 70 LYS HA H 4.3510 0.02 1 705 70 70 LYS HB2 H 1.9430 0.02 2 706 70 70 LYS HB3 H 1.8430 0.02 2 707 70 70 LYS HD2 H 1.6830 0.02 2 708 70 70 LYS HD3 H 1.5590 0.02 2 709 70 70 LYS HE2 H 3.0400 0.02 2 710 70 70 LYS HE3 H 3.0400 0.02 2 711 70 70 LYS HG2 H 1.3330 0.02 2 712 70 70 LYS HG3 H 1.3330 0.02 2 713 70 70 LYS C C 175.1180 0.3 1 714 70 70 LYS CA C 56.0430 0.3 1 715 70 70 LYS CB C 33.3660 0.3 1 716 70 70 LYS CD C 29.5160 0.3 1 717 70 70 LYS CE C 42.4600 0.3 1 718 70 70 LYS CG C 25.8580 0.3 1 719 70 70 LYS N N 121.1190 0.2 1 720 71 71 ASN H H 8.5560 0.02 1 721 71 71 ASN HA H 5.3080 0.02 1 722 71 71 ASN HB2 H 2.4610 0.02 2 723 71 71 ASN HB3 H 2.6610 0.02 2 724 71 71 ASN HD21 H 7.4420 0.02 2 725 71 71 ASN HD22 H 6.8740 0.02 2 726 71 71 ASN C C 175.2690 0.3 1 727 71 71 ASN CA C 52.5270 0.3 1 728 71 71 ASN CB C 39.3100 0.3 1 729 71 71 ASN N N 118.6450 0.2 1 730 71 71 ASN ND2 N 112.6600 0.2 1 731 72 72 ARG H H 9.0110 0.02 1 732 72 72 ARG HA H 4.4310 0.02 1 733 72 72 ARG HB2 H 1.6670 0.02 2 734 72 72 ARG HB3 H 1.5930 0.02 2 735 72 72 ARG HD2 H 3.1380 0.02 2 736 72 72 ARG HD3 H 3.0380 0.02 2 737 72 72 ARG HE H 7.1710 0.02 1 738 72 72 ARG HG2 H 1.5000 0.02 2 739 72 72 ARG HG3 H 1.4020 0.02 2 740 72 72 ARG C C 175.2040 0.3 1 741 72 72 ARG CA C 55.3980 0.3 1 742 72 72 ARG CB C 32.2870 0.3 1 743 72 72 ARG CD C 43.6800 0.3 1 744 72 72 ARG CG C 27.0780 0.3 1 745 72 72 ARG N N 125.5800 0.2 1 746 72 72 ARG NE N 85.0400 0.2 1 747 73 73 ILE H H 8.6030 0.02 1 748 73 73 ILE HA H 3.9850 0.02 1 749 73 73 ILE HB H 1.7300 0.02 1 750 73 73 ILE HD1 H 0.8140 0.02 1 751 73 73 ILE HG12 H 1.1770 0.02 2 752 73 73 ILE HG13 H 1.5000 0.02 2 753 73 73 ILE HG2 H 0.7690 0.02 1 754 73 73 ILE C C 175.5170 0.3 1 755 73 73 ILE CA C 61.5510 0.3 1 756 73 73 ILE CB C 37.6170 0.3 1 757 73 73 ILE CD1 C 12.4400 0.3 1 758 73 73 ILE CG1 C 27.6400 0.3 1 759 73 73 ILE CG2 C 17.5200 0.3 1 760 73 73 ILE N N 127.5020 0.2 1 761 74 74 TYR H H 8.0960 0.02 1 762 74 74 TYR HA H 4.4920 0.02 1 763 74 74 TYR HB2 H 2.5460 0.02 2 764 74 74 TYR HB3 H 2.5960 0.02 2 765 74 74 TYR HD1 H 6.8840 0.02 3 766 74 74 TYR HD2 H 6.8840 0.02 3 767 74 74 TYR HE1 H 6.6120 0.02 3 768 74 74 TYR HE2 H 6.6120 0.02 3 769 74 74 TYR C C 174.8920 0.3 1 770 74 74 TYR CA C 57.7810 0.3 1 771 74 74 TYR CB C 41.8510 0.3 1 772 74 74 TYR CD1 C 132.6720 0.3 3 773 74 74 TYR CD2 C 132.6720 0.3 3 774 74 74 TYR CE1 C 118.1870 0.3 3 775 74 74 TYR CE2 C 118.1870 0.3 3 776 74 74 TYR N N 125.9740 0.2 1 777 75 75 THR H H 8.9630 0.02 1 778 75 75 THR HA H 4.2000 0.02 1 779 75 75 THR HB H 4.0060 0.02 1 780 75 75 THR HG2 H 1.0590 0.02 1 781 75 75 THR C C 174.1440 0.3 1 782 75 75 THR CA C 61.5720 0.3 1 783 75 75 THR CB C 69.9380 0.3 1 784 75 75 THR CG2 C 20.7800 0.3 1 785 75 75 THR N N 121.6300 0.2 1 786 76 76 TYR H H 8.0400 0.02 1 787 76 76 TYR HA H 4.0000 0.02 1 788 76 76 TYR HB2 H 2.7160 0.02 2 789 76 76 TYR HB3 H 2.5640 0.02 2 790 76 76 TYR HD1 H 6.8390 0.02 3 791 76 76 TYR HD2 H 6.8390 0.02 3 792 76 76 TYR HE1 H 6.3900 0.02 3 793 76 76 TYR HE2 H 6.3900 0.02 3 794 76 76 TYR C C 175.6660 0.3 1 795 76 76 TYR CA C 60.6480 0.3 1 796 76 76 TYR CB C 37.4290 0.3 1 797 76 76 TYR CD1 C 132.6720 0.3 3 798 76 76 TYR CD2 C 132.6720 0.3 3 799 76 76 TYR CE1 C 119.0920 0.3 3 800 76 76 TYR CE2 C 119.0920 0.3 3 801 76 76 TYR N N 127.3000 0.2 1 802 77 77 GLY H H 9.1740 0.02 1 803 77 77 GLY HA2 H 3.2770 0.02 2 804 77 77 GLY HA3 H 4.1150 0.02 2 805 77 77 GLY C C 171.0930 0.3 1 806 77 77 GLY CA C 45.2790 0.3 1 807 77 77 GLY N N 111.2850 0.2 1 808 78 78 ASP H H 7.9190 0.02 1 809 78 78 ASP HA H 4.8020 0.02 1 810 78 78 ASP HB2 H 3.1800 0.02 2 811 78 78 ASP HB3 H 3.1800 0.02 2 812 78 78 ASP C C 176.3370 0.3 1 813 78 78 ASP CA C 51.9140 0.3 1 814 78 78 ASP CB C 39.4200 0.3 1 815 78 78 ASP N N 117.4260 0.2 1 816 79 79 ILE H H 8.2790 0.02 1 817 79 79 ILE HA H 3.4840 0.02 1 818 79 79 ILE HB H 1.8010 0.02 1 819 79 79 ILE HD1 H 0.9070 0.02 1 820 79 79 ILE HG12 H 1.7270 0.02 2 821 79 79 ILE HG13 H 1.6760 0.02 2 822 79 79 ILE HG2 H 0.9070 0.02 1 823 79 79 ILE C C 177.1010 0.3 1 824 79 79 ILE CA C 64.3940 0.3 1 825 79 79 ILE CB C 39.0270 0.3 1 826 79 79 ILE CD1 C 13.5710 0.3 1 827 79 79 ILE CG1 C 29.2100 0.3 1 828 79 79 ILE CG2 C 19.9700 0.3 1 829 79 79 ILE N N 127.0910 0.2 1 830 80 80 ASP H H 8.1910 0.02 1 831 80 80 ASP HA H 4.3620 0.02 1 832 80 80 ASP HB2 H 2.3000 0.02 2 833 80 80 ASP HB3 H 3.0070 0.02 2 834 80 80 ASP C C 176.3100 0.3 1 835 80 80 ASP CA C 53.4050 0.3 1 836 80 80 ASP CB C 39.2060 0.3 1 837 80 80 ASP N N 116.2980 0.2 1 838 81 81 ASN H H 7.3680 0.02 1 839 81 81 ASN HA H 4.4000 0.02 1 840 81 81 ASN HB2 H 2.4610 0.02 2 841 81 81 ASN HB3 H 3.1160 0.02 2 842 81 81 ASN HD21 H 7.4760 0.02 2 843 81 81 ASN HD22 H 6.6570 0.02 2 844 81 81 ASN C C 174.7360 0.3 1 845 81 81 ASN CA C 54.5140 0.3 1 846 81 81 ASN CB C 37.6040 0.3 1 847 81 81 ASN N N 115.4020 0.2 1 848 81 81 ASN ND2 N 112.2400 0.2 1 849 82 82 ASN H H 8.6330 0.02 1 850 82 82 ASN HA H 4.8040 0.02 1 851 82 82 ASN HB2 H 2.5840 0.02 2 852 82 82 ASN HB3 H 3.2570 0.02 2 853 82 82 ASN HD21 H 7.8720 0.02 2 854 82 82 ASN HD22 H 7.1910 0.02 2 855 82 82 ASN C C 176.9690 0.3 1 856 82 82 ASN CA C 52.1750 0.3 1 857 82 82 ASN CB C 38.0970 0.3 1 858 82 82 ASN N N 117.9860 0.2 1 859 82 82 ASN ND2 N 116.4560 0.2 1 860 83 83 GLY H H 10.3960 0.02 1 861 83 83 GLY HA2 H 3.4610 0.02 2 862 83 83 GLY HA3 H 4.1920 0.02 2 863 83 83 GLY C C 173.3010 0.3 1 864 83 83 GLY CA C 45.3900 0.3 1 865 83 83 GLY N N 112.9490 0.2 1 866 84 84 ILE H H 7.4170 0.02 1 867 84 84 ILE HA H 4.5390 0.02 1 868 84 84 ILE HB H 1.6380 0.02 1 869 84 84 ILE HD1 H 0.8430 0.02 1 870 84 84 ILE HG12 H 1.3040 0.02 2 871 84 84 ILE HG13 H 0.9150 0.02 2 872 84 84 ILE HG2 H 0.8200 0.02 1 873 84 84 ILE C C 174.1010 0.3 1 874 84 84 ILE CA C 59.1020 0.3 1 875 84 84 ILE CB C 42.3660 0.3 1 876 84 84 ILE CD1 C 13.7590 0.3 1 877 84 84 ILE CG1 C 26.9840 0.3 1 878 84 84 ILE CG2 C 17.5100 0.3 1 879 84 84 ILE N N 117.3300 0.2 1 880 85 85 VAL H H 8.9050 0.02 1 881 85 85 VAL HA H 4.8640 0.02 1 882 85 85 VAL HB H 2.0920 0.02 1 883 85 85 VAL HG1 H 0.8050 0.02 2 884 85 85 VAL HG2 H 0.9790 0.02 2 885 85 85 VAL C C 174.7120 0.3 1 886 85 85 VAL CA C 61.5220 0.3 1 887 85 85 VAL CB C 30.6640 0.3 1 888 85 85 VAL CG1 C 21.1000 0.3 2 889 85 85 VAL CG2 C 20.5100 0.3 2 890 85 85 VAL N N 130.6570 0.2 1 891 86 86 ASP H H 10.3450 0.02 1 892 86 86 ASP HA H 4.7620 0.02 1 893 86 86 ASP HB2 H 3.2680 0.02 2 894 86 86 ASP HB3 H 3.2680 0.02 2 895 86 86 ASP C C 176.7320 0.3 1 896 86 86 ASP CA C 52.7690 0.3 1 897 86 86 ASP CB C 42.7760 0.3 1 898 86 86 ASP N N 130.1800 0.2 1 899 87 87 GLU H H 8.6830 0.02 1 900 87 87 GLU HA H 4.1400 0.02 1 901 87 87 GLU HB2 H 2.1670 0.02 2 902 87 87 GLU HB3 H 2.0690 0.02 2 903 87 87 GLU HG2 H 2.5350 0.02 2 904 87 87 GLU HG3 H 2.4610 0.02 2 905 87 87 GLU C C 177.8100 0.3 1 906 87 87 GLU CA C 58.9100 0.3 1 907 87 87 GLU CB C 28.8140 0.3 1 908 87 87 GLU CG C 34.3940 0.3 1 909 87 87 GLU N N 116.2830 0.2 1 910 88 88 ASN H H 8.4700 0.02 1 911 88 88 ASN HA H 4.6000 0.02 1 912 88 88 ASN HB2 H 2.6530 0.02 2 913 88 88 ASN HB3 H 2.8350 0.02 2 914 88 88 ASN HD21 H 8.0950 0.02 2 915 88 88 ASN HD22 H 7.0840 0.02 2 916 88 88 ASN C C 178.2700 0.3 1 917 88 88 ASN CA C 56.9590 0.3 1 918 88 88 ASN CB C 38.4080 0.3 1 919 88 88 ASN N N 117.4970 0.2 1 920 88 88 ASN ND2 N 115.9640 0.2 1 921 89 89 ASP H H 7.6400 0.02 1 922 89 89 ASP HA H 4.4160 0.02 1 923 89 89 ASP HB2 H 3.2460 0.02 2 924 89 89 ASP HB3 H 3.2460 0.02 2 925 89 89 ASP C C 177.3870 0.3 1 926 89 89 ASP CA C 58.6030 0.3 1 927 89 89 ASP CB C 42.0150 0.3 1 928 89 89 ASP N N 118.3790 0.2 1 929 90 90 TYR H H 7.4840 0.02 1 930 90 90 TYR HA H 4.1850 0.02 1 931 90 90 TYR HB2 H 2.9270 0.02 2 932 90 90 TYR HB3 H 3.3420 0.02 2 933 90 90 TYR HD1 H 6.9860 0.02 3 934 90 90 TYR HD2 H 6.9860 0.02 3 935 90 90 TYR HE1 H 6.7410 0.02 3 936 90 90 TYR HE2 H 6.7410 0.02 3 937 90 90 TYR C C 177.4000 0.3 1 938 90 90 TYR CA C 61.2570 0.3 1 939 90 90 TYR CB C 38.6520 0.3 1 940 90 90 TYR CD1 C 132.1600 0.3 3 941 90 90 TYR CD2 C 132.1600 0.3 3 942 90 90 TYR CE1 C 118.5000 0.3 3 943 90 90 TYR CE2 C 118.5000 0.3 3 944 90 90 TYR N N 117.6960 0.2 1 945 91 91 ILE H H 8.6890 0.02 1 946 91 91 ILE HA H 3.5150 0.02 1 947 91 91 ILE HB H 1.9460 0.02 1 948 91 91 ILE HD1 H 0.9410 0.02 1 949 91 91 ILE HG12 H 1.8660 0.02 2 950 91 91 ILE HG13 H 1.3230 0.02 2 951 91 91 ILE HG2 H 0.9100 0.02 1 952 91 91 ILE C C 177.8120 0.3 1 953 91 91 ILE CA C 65.1550 0.3 1 954 91 91 ILE CB C 38.0100 0.3 1 955 91 91 ILE CD1 C 13.1000 0.3 1 956 91 91 ILE CG1 C 29.2350 0.3 1 957 91 91 ILE CG2 C 17.4700 0.3 1 958 91 91 ILE N N 121.6690 0.2 1 959 92 92 LEU H H 7.5320 0.02 1 960 92 92 LEU HA H 4.0460 0.02 1 961 92 92 LEU HB2 H 1.2920 0.02 2 962 92 92 LEU HB3 H 2.1230 0.02 2 963 92 92 LEU HD1 H 0.8880 0.02 2 964 92 92 LEU HD2 H 0.8880 0.02 2 965 92 92 LEU HG H 2.0030 0.02 1 966 92 92 LEU C C 180.8380 0.3 1 967 92 92 LEU CA C 58.3610 0.3 1 968 92 92 LEU CB C 41.4120 0.3 1 969 92 92 LEU CD1 C 22.6690 0.3 2 970 92 92 LEU CD2 C 26.0460 0.3 2 971 92 92 LEU CG C 26.0460 0.3 1 972 92 92 LEU N N 117.7950 0.2 1 973 93 93 ILE H H 7.8760 0.02 1 974 93 93 ILE HA H 4.0150 0.02 1 975 93 93 ILE HB H 1.8140 0.02 1 976 93 93 ILE HD1 H 0.9440 0.02 1 977 93 93 ILE HG12 H 1.4670 0.02 2 978 93 93 ILE HG13 H 1.2210 0.02 2 979 93 93 ILE HG2 H 1.1230 0.02 1 980 93 93 ILE C C 176.9090 0.3 1 981 93 93 ILE CA C 65.3000 0.3 1 982 93 93 ILE CB C 37.3130 0.3 1 983 93 93 ILE CD1 C 15.6300 0.3 1 984 93 93 ILE CG1 C 30.9230 0.3 1 985 93 93 ILE CG2 C 16.3500 0.3 1 986 93 93 ILE N N 119.2960 0.2 1 987 94 94 CYS H H 8.1070 0.02 1 988 94 94 CYS HA H 3.8250 0.02 1 989 94 94 CYS HB2 H 2.4460 0.02 2 990 94 94 CYS HB3 H 2.8690 0.02 2 991 94 94 CYS C C 177.0540 0.3 1 992 94 94 CYS CA C 64.6660 0.3 1 993 94 94 CYS CB C 26.2580 0.3 1 994 94 94 CYS N N 122.2300 0.2 1 995 95 95 ASN H H 8.4470 0.02 1 996 95 95 ASN HA H 4.4160 0.02 1 997 95 95 ASN HB2 H 2.5840 0.02 2 998 95 95 ASN HB3 H 2.8650 0.02 2 999 95 95 ASN HD21 H 7.6530 0.02 2 1000 95 95 ASN HD22 H 6.7130 0.02 2 1001 95 95 ASN C C 177.1260 0.3 1 1002 95 95 ASN CA C 54.9410 0.3 1 1003 95 95 ASN CB C 36.7590 0.3 1 1004 95 95 ASN N N 118.4890 0.2 1 1005 95 95 ASN ND2 N 110.2290 0.2 1 1006 96 96 HIS H H 7.4990 0.02 1 1007 96 96 HIS HA H 4.3540 0.02 1 1008 96 96 HIS HB2 H 3.3140 0.02 2 1009 96 96 HIS HB3 H 3.0980 0.02 2 1010 96 96 HIS C C 179.6220 0.3 1 1011 96 96 HIS CA C 60.0640 0.3 1 1012 96 96 HIS CB C 31.7060 0.3 1 1013 96 96 HIS N N 121.3190 0.2 1 1014 97 97 ILE H H 8.2080 0.02 1 1015 97 97 ILE HA H 3.7380 0.02 1 1016 97 97 ILE HB H 1.8690 0.02 1 1017 97 97 ILE HD1 H 0.7530 0.02 1 1018 97 97 ILE HG12 H 1.8000 0.02 2 1019 97 97 ILE HG13 H 1.0900 0.02 2 1020 97 97 ILE HG2 H 0.9420 0.02 1 1021 97 97 ILE C C 177.8860 0.3 1 1022 97 97 ILE CA C 64.6420 0.3 1 1023 97 97 ILE CB C 38.3430 0.3 1 1024 97 97 ILE CD1 C 15.2590 0.3 1 1025 97 97 ILE CG1 C 30.0790 0.3 1 1026 97 97 ILE CG2 C 17.0410 0.3 1 1027 97 97 ILE N N 120.7090 0.2 1 1028 98 98 ASN H H 8.3320 0.02 1 1029 98 98 ASN HA H 4.6390 0.02 1 1030 98 98 ASN HB2 H 2.9460 0.02 2 1031 98 98 ASN HB3 H 2.9460 0.02 2 1032 98 98 ASN HD21 H 7.3670 0.02 2 1033 98 98 ASN HD22 H 6.4630 0.02 2 1034 98 98 ASN C C 176.0620 0.3 1 1035 98 98 ASN CA C 53.3610 0.3 1 1036 98 98 ASN CB C 38.3110 0.3 1 1037 98 98 ASN N N 115.6360 0.2 1 1038 98 98 ASN ND2 N 109.6080 0.2 1 1039 99 99 GLY H H 7.6370 0.02 1 1040 99 99 GLY HA2 H 3.8620 0.02 2 1041 99 99 GLY HA3 H 4.1700 0.02 2 1042 99 99 GLY C C 175.0430 0.3 1 1043 99 99 GLY CA C 46.0150 0.3 1 1044 99 99 GLY N N 107.7840 0.2 1 1045 100 100 THR H H 8.4470 0.02 1 1046 100 100 THR HA H 4.3610 0.02 1 1047 100 100 THR HB H 4.3190 0.02 1 1048 100 100 THR HG2 H 1.0850 0.02 1 1049 100 100 THR C C 174.9050 0.3 1 1050 100 100 THR CA C 61.8470 0.3 1 1051 100 100 THR CB C 68.9430 0.3 1 1052 100 100 THR CG2 C 21.6640 0.3 1 1053 100 100 THR N N 112.0540 0.2 1 1054 101 101 GLY H H 7.5340 0.02 1 1055 101 101 GLY HA2 H 3.6310 0.02 2 1056 101 101 GLY HA3 H 4.0770 0.02 2 1057 101 101 GLY C C 171.9830 0.3 1 1058 101 101 GLY CA C 45.9920 0.3 1 1059 101 101 GLY N N 110.8170 0.2 1 1060 102 102 GLN H H 8.5210 0.02 1 1061 102 102 GLN HA H 4.7540 0.02 1 1062 102 102 GLN HB2 H 2.0000 0.02 2 1063 102 102 GLN HB3 H 2.0000 0.02 2 1064 102 102 GLN HE21 H 7.6180 0.02 2 1065 102 102 GLN HE22 H 6.8470 0.02 2 1066 102 102 GLN HG2 H 2.4530 0.02 2 1067 102 102 GLN HG3 H 2.3940 0.02 2 1068 102 102 GLN C C 177.1850 0.3 1 1069 102 102 GLN CA C 55.6550 0.3 1 1070 102 102 GLN CB C 30.4540 0.3 1 1071 102 102 GLN CG C 33.8310 0.3 1 1072 102 102 GLN N N 124.1150 0.2 1 1073 102 102 GLN NE2 N 112.1140 0.2 1 1074 103 103 LEU H H 11.0600 0.02 1 1075 103 103 LEU HA H 4.2540 0.02 1 1076 103 103 LEU HB2 H 1.3040 0.02 2 1077 103 103 LEU HB3 H 1.1960 0.02 2 1078 103 103 LEU HD1 H 0.7510 0.02 2 1079 103 103 LEU HD2 H 0.2170 0.02 2 1080 103 103 LEU HG H 1.6580 0.02 1 1081 103 103 LEU C C 177.1680 0.3 1 1082 103 103 LEU CA C 54.9430 0.3 1 1083 103 103 LEU CB C 41.4720 0.3 1 1084 103 103 LEU CD1 C 23.9700 0.3 2 1085 103 103 LEU CD2 C 25.8200 0.3 2 1086 103 103 LEU CG C 26.5340 0.3 1 1087 103 103 LEU N N 131.2720 0.2 1 1088 104 104 SER H H 8.5680 0.02 1 1089 104 104 SER HA H 4.0220 0.02 1 1090 104 104 SER HB2 H 3.4150 0.02 2 1091 104 104 SER HB3 H 3.6690 0.02 2 1092 104 104 SER C C 174.4460 0.3 1 1093 104 104 SER CA C 57.6990 0.3 1 1094 104 104 SER CB C 62.8050 0.3 1 1095 104 104 SER N N 117.6030 0.2 1 1096 105 105 ASP H H 6.7030 0.02 1 1097 105 105 ASP HA H 4.2730 0.02 1 1098 105 105 ASP HB2 H 2.6260 0.02 2 1099 105 105 ASP HB3 H 2.7200 0.02 2 1100 105 105 ASP C C 177.5080 0.3 1 1101 105 105 ASP CA C 57.4120 0.3 1 1102 105 105 ASP CB C 41.6810 0.3 1 1103 105 105 ASP N N 120.0900 0.2 1 1104 106 106 ALA H H 8.1430 0.02 1 1105 106 106 ALA HA H 3.9540 0.02 1 1106 106 106 ALA HB H 1.3760 0.02 1 1107 106 106 ALA C C 176.9610 0.3 1 1108 106 106 ALA CA C 53.2940 0.3 1 1109 106 106 ALA CB C 19.4580 0.3 1 1110 106 106 ALA N N 116.3940 0.2 1 1111 107 107 SER H H 7.7190 0.02 1 1112 107 107 SER HA H 4.6850 0.02 1 1113 107 107 SER HB2 H 3.9540 0.02 2 1114 107 107 SER HB3 H 3.8070 0.02 2 1115 107 107 SER C C 174.5000 0.3 1 1116 107 107 SER CA C 59.6280 0.3 1 1117 107 107 SER CB C 64.9590 0.3 1 1118 107 107 SER N N 113.4420 0.2 1 1119 108 108 LEU H H 6.7740 0.02 1 1120 108 108 LEU HA H 3.2690 0.02 1 1121 108 108 LEU HB2 H 1.2350 0.02 2 1122 108 108 LEU HB3 H 1.2350 0.02 2 1123 108 108 LEU HD1 H 0.1910 0.02 2 1124 108 108 LEU HD2 H 0.2020 0.02 2 1125 108 108 LEU HG H 0.7550 0.02 1 1126 108 108 LEU C C 178.0440 0.3 1 1127 108 108 LEU CA C 58.2170 0.3 1 1128 108 108 LEU CB C 39.3660 0.3 1 1129 108 108 LEU CD1 C 23.3260 0.3 2 1130 108 108 LEU CD2 C 23.0250 0.3 2 1131 108 108 LEU CG C 25.7650 0.3 1 1132 108 108 LEU N N 122.7980 0.2 1 1133 109 109 PHE H H 8.7560 0.02 1 1134 109 109 PHE HA H 4.2730 0.02 1 1135 109 109 PHE HB2 H 2.8390 0.02 2 1136 109 109 PHE HB3 H 2.8390 0.02 2 1137 109 109 PHE HD1 H 7.0300 0.02 3 1138 109 109 PHE HD2 H 7.0300 0.02 3 1139 109 109 PHE HE1 H 6.5650 0.02 3 1140 109 109 PHE HE2 H 6.5650 0.02 3 1141 109 109 PHE HZ H 7.0270 0.02 1 1142 109 109 PHE C C 176.7020 0.3 1 1143 109 109 PHE CA C 60.0200 0.3 1 1144 109 109 PHE CB C 38.9050 0.3 1 1145 109 109 PHE CD1 C 131.2560 0.3 3 1146 109 109 PHE CD2 C 131.2560 0.3 3 1147 109 109 PHE CE1 C 130.5120 0.3 3 1148 109 109 PHE CE2 C 130.5120 0.3 3 1149 109 109 PHE CZ C 130.7000 0.3 1 1150 109 109 PHE N N 116.2660 0.2 1 1151 110 110 ALA H H 7.4240 0.02 1 1152 110 110 ALA HA H 3.7770 0.02 1 1153 110 110 ALA HB H 1.3530 0.02 1 1154 110 110 ALA C C 178.1060 0.3 1 1155 110 110 ALA CA C 54.0250 0.3 1 1156 110 110 ALA CB C 19.2400 0.3 1 1157 110 110 ALA N N 117.6290 0.2 1 1158 111 111 ALA H H 7.2990 0.02 1 1159 111 111 ALA HA H 3.8380 0.02 1 1160 111 111 ALA HB H 1.1450 0.02 1 1161 111 111 ALA C C 174.6730 0.3 1 1162 111 111 ALA CA C 52.8180 0.3 1 1163 111 111 ALA CB C 20.0100 0.3 1 1164 111 111 ALA N N 118.0110 0.2 1 1165 112 112 ASP H H 6.9390 0.02 1 1166 112 112 ASP HA H 4.6770 0.02 1 1167 112 112 ASP HB2 H 2.7840 0.02 2 1168 112 112 ASP HB3 H 3.1380 0.02 2 1169 112 112 ASP C C 176.8030 0.3 1 1170 112 112 ASP CA C 52.7940 0.3 1 1171 112 112 ASP CB C 39.2950 0.3 1 1172 112 112 ASP N N 113.2360 0.2 1 1173 113 113 ALA H H 8.3130 0.02 1 1174 113 113 ALA HA H 3.7690 0.02 1 1175 113 113 ALA HB H 1.4920 0.02 1 1176 113 113 ALA C C 175.9200 0.3 1 1177 113 113 ALA CA C 54.2940 0.3 1 1178 113 113 ALA CB C 20.8550 0.3 1 1179 113 113 ALA N N 131.8000 0.2 1 1180 114 114 ASP H H 7.9820 0.02 1 1181 114 114 ASP HA H 4.4620 0.02 1 1182 114 114 ASP HB2 H 2.1610 0.02 2 1183 114 114 ASP HB3 H 2.9540 0.02 2 1184 114 114 ASP C C 178.3330 0.3 1 1185 114 114 ASP CA C 52.1450 0.3 1 1186 114 114 ASP CB C 39.9310 0.3 1 1187 114 114 ASP N N 110.9960 0.2 1 1188 115 115 GLY H H 7.4450 0.02 1 1189 115 115 GLY HA2 H 3.7620 0.02 2 1190 115 115 GLY HA3 H 3.7620 0.02 2 1191 115 115 GLY C C 174.2510 0.3 1 1192 115 115 GLY CA C 47.9750 0.3 1 1193 115 115 GLY N N 108.5740 0.2 1 1194 116 116 ASN H H 8.0510 0.02 1 1195 116 116 ASN HA H 4.6710 0.02 1 1196 116 116 ASN HB2 H 3.2400 0.02 2 1197 116 116 ASN HB3 H 2.4900 0.02 2 1198 116 116 ASN HD21 H 7.7070 0.02 2 1199 116 116 ASN HD22 H 7.2290 0.02 2 1200 116 116 ASN C C 176.0610 0.3 1 1201 116 116 ASN CA C 52.0650 0.3 1 1202 116 116 ASN CB C 37.9580 0.3 1 1203 116 116 ASN N N 118.6740 0.2 1 1204 116 116 ASN ND2 N 114.8660 0.2 1 1205 117 117 ASN H H 10.9120 0.02 1 1206 117 117 ASN HA H 3.1070 0.02 1 1207 117 117 ASN HB2 H 2.6530 0.02 2 1208 117 117 ASN HB3 H 2.4380 0.02 2 1209 117 117 ASN HD21 H 7.2990 0.02 2 1210 117 117 ASN HD22 H 6.7700 0.02 2 1211 117 117 ASN C C 173.2120 0.3 1 1212 117 117 ASN CA C 55.5050 0.3 1 1213 117 117 ASN CB C 38.2190 0.3 1 1214 117 117 ASN N N 119.5940 0.2 1 1215 117 117 ASN ND2 N 114.6900 0.2 1 1216 118 118 VAL H H 7.4480 0.02 1 1217 118 118 VAL HA H 4.3230 0.02 1 1218 118 118 VAL HB H 1.8460 0.02 1 1219 118 118 VAL HG1 H 0.8630 0.02 2 1220 118 118 VAL HG2 H 0.8630 0.02 2 1221 118 118 VAL C C 174.8020 0.3 1 1222 118 118 VAL CA C 61.4170 0.3 1 1223 118 118 VAL CB C 36.3230 0.3 1 1224 118 118 VAL CG1 C 21.1680 0.3 2 1225 118 118 VAL CG2 C 21.1680 0.3 2 1226 118 118 VAL N N 115.0020 0.2 1 1227 119 119 ILE H H 9.3320 0.02 1 1228 119 119 ILE HA H 5.3000 0.02 1 1229 119 119 ILE HB H 2.1850 0.02 1 1230 119 119 ILE HD1 H 0.5810 0.02 1 1231 119 119 ILE HG12 H 1.5280 0.02 2 1232 119 119 ILE HG13 H 0.8340 0.02 2 1233 119 119 ILE HG2 H 0.7710 0.02 1 1234 119 119 ILE C C 175.2120 0.3 1 1235 119 119 ILE CA C 57.6150 0.3 1 1236 119 119 ILE CB C 34.7730 0.3 1 1237 119 119 ILE CD1 C 10.0900 0.3 1 1238 119 119 ILE CG1 C 26.7030 0.3 1 1239 119 119 ILE CG2 C 17.3700 0.3 1 1240 119 119 ILE N N 129.6830 0.2 1 1241 120 120 ASP H H 10.1500 0.02 1 1242 120 120 ASP HA H 4.7460 0.02 1 1243 120 120 ASP HB2 H 2.7000 0.02 2 1244 120 120 ASP HB3 H 3.3080 0.02 2 1245 120 120 ASP C C 176.6350 0.3 1 1246 120 120 ASP CA C 52.8270 0.3 1 1247 120 120 ASP CB C 42.4770 0.3 1 1248 120 120 ASP N N 130.8910 0.2 1 1249 121 121 GLN H H 8.2900 0.02 1 1250 121 121 GLN HA H 4.0620 0.02 1 1251 121 121 GLN HB2 H 2.2660 0.02 2 1252 121 121 GLN HB3 H 2.1530 0.02 2 1253 121 121 GLN HE21 H 7.5620 0.02 2 1254 121 121 GLN HE22 H 6.9990 0.02 2 1255 121 121 GLN HG2 H 2.5760 0.02 2 1256 121 121 GLN HG3 H 2.5150 0.02 2 1257 121 121 GLN C C 177.5100 0.3 1 1258 121 121 GLN CA C 58.8600 0.3 1 1259 121 121 GLN CB C 28.3150 0.3 1 1260 121 121 GLN CG C 32.7990 0.3 1 1261 121 121 GLN N N 113.8060 0.2 1 1262 121 121 GLN NE2 N 112.2110 0.2 1 1263 122 122 THR H H 8.2350 0.02 1 1264 122 122 THR HA H 3.9220 0.02 1 1265 122 122 THR HB H 4.2410 0.02 1 1266 122 122 THR HG2 H 1.2160 0.02 1 1267 122 122 THR C C 176.2660 0.3 1 1268 122 122 THR CA C 67.2170 0.3 1 1269 122 122 THR CB C 67.7670 0.3 1 1270 122 122 THR CG2 C 22.6000 0.3 1 1271 122 122 THR N N 117.1150 0.2 1 1272 123 123 ASP H H 7.5030 0.02 1 1273 123 123 ASP HA H 4.3820 0.02 1 1274 123 123 ASP HB2 H 3.0470 0.02 2 1275 123 123 ASP HB3 H 3.2480 0.02 2 1276 123 123 ASP C C 177.3850 0.3 1 1277 123 123 ASP CA C 59.3070 0.3 1 1278 123 123 ASP CB C 41.8300 0.3 1 1279 123 123 ASP N N 119.3450 0.2 1 1280 124 124 ARG H H 7.1290 0.02 1 1281 124 124 ARG HA H 3.8930 0.02 1 1282 124 124 ARG HB2 H 1.5860 0.02 2 1283 124 124 ARG HB3 H 1.5860 0.02 2 1284 124 124 ARG HD2 H 3.0460 0.02 2 1285 124 124 ARG HD3 H 3.0460 0.02 2 1286 124 124 ARG HE H 7.4300 0.02 1 1287 124 124 ARG HG2 H 1.8490 0.02 2 1288 124 124 ARG HG3 H 1.8110 0.02 2 1289 124 124 ARG C C 177.4720 0.3 1 1290 124 124 ARG CA C 60.4480 0.3 1 1291 124 124 ARG CB C 29.9880 0.3 1 1292 124 124 ARG CD C 43.7740 0.3 1 1293 124 124 ARG CG C 27.0900 0.3 1 1294 124 124 ARG N N 117.1560 0.2 1 1295 124 124 ARG NE N 82.8800 0.2 1 1296 125 125 ILE H H 8.4560 0.02 1 1297 125 125 ILE HA H 3.7930 0.02 1 1298 125 125 ILE HB H 1.9490 0.02 1 1299 125 125 ILE HD1 H 0.6860 0.02 1 1300 125 125 ILE HG12 H 1.2190 0.02 2 1301 125 125 ILE HG13 H 1.6530 0.02 2 1302 125 125 ILE HG2 H 0.9950 0.02 1 1303 125 125 ILE CA C 64.8800 0.3 1 1304 125 125 ILE CB C 38.3000 0.3 1 1305 125 125 ILE CD1 C 14.7800 0.3 1 1306 125 125 ILE CG1 C 28.2400 0.3 1 1307 125 125 ILE CG2 C 17.4300 0.3 1 1308 125 125 ILE N N 119.8020 0.2 1 1309 126 126 LEU HA H 4.0050 0.02 1 1310 126 126 LEU HB2 H 2.0700 0.02 2 1311 126 126 LEU HB3 H 2.1400 0.02 2 1312 126 126 LEU HD1 H 0.8250 0.02 2 1313 126 126 LEU HD2 H 0.8300 0.02 2 1314 126 126 LEU HG H 1.7800 0.02 1 1315 126 126 LEU C C 179.1140 0.3 1 1316 126 126 LEU CA C 58.4110 0.3 1 1317 126 126 LEU CB C 42.3700 0.3 1 1318 126 126 LEU CD1 C 22.3500 0.3 2 1319 126 126 LEU CD2 C 25.5000 0.3 2 1320 126 126 LEU CG C 25.9000 0.3 1 1321 127 127 ILE H H 8.1820 0.02 1 1322 127 127 ILE HA H 3.7950 0.02 1 1323 127 127 ILE HB H 2.1930 0.02 1 1324 127 127 ILE HD1 H 1.0050 0.02 1 1325 127 127 ILE HG12 H 1.2210 0.02 2 1326 127 127 ILE HG13 H 1.2210 0.02 2 1327 127 127 ILE HG2 H 1.0690 0.02 1 1328 127 127 ILE C C 177.6120 0.3 1 1329 127 127 ILE CA C 66.1420 0.3 1 1330 127 127 ILE CB C 37.2110 0.3 1 1331 127 127 ILE CD1 C 13.1000 0.3 1 1332 127 127 ILE CG1 C 30.2670 0.3 1 1333 127 127 ILE CG2 C 17.2290 0.3 1 1334 127 127 ILE N N 118.7270 0.2 1 1335 128 128 GLU H H 8.5280 0.02 1 1336 128 128 GLU HA H 3.6440 0.02 1 1337 128 128 GLU HB2 H 2.2030 0.02 2 1338 128 128 GLU HB3 H 2.2030 0.02 2 1339 128 128 GLU HG2 H 2.0240 0.02 2 1340 128 128 GLU HG3 H 2.0240 0.02 2 1341 128 128 GLU C C 179.8320 0.3 1 1342 128 128 GLU CA C 59.8090 0.3 1 1343 128 128 GLU CB C 29.2300 0.3 1 1344 128 128 GLU CG C 34.5810 0.3 1 1345 128 128 GLU N N 121.1970 0.2 1 1346 129 129 LYS H H 8.6940 0.02 1 1347 129 129 LYS HA H 3.8330 0.02 1 1348 129 129 LYS HB2 H 2.0300 0.02 2 1349 129 129 LYS HB3 H 1.5900 0.02 2 1350 129 129 LYS HD2 H 1.5650 0.02 2 1351 129 129 LYS HD3 H 1.5650 0.02 2 1352 129 129 LYS HE2 H 2.8620 0.02 2 1353 129 129 LYS HE3 H 2.8620 0.02 2 1354 129 129 LYS HG2 H 1.0160 0.02 2 1355 129 129 LYS HG3 H 0.4150 0.02 2 1356 129 129 LYS C C 177.9990 0.3 1 1357 129 129 LYS CA C 59.9830 0.3 1 1358 129 129 LYS CB C 32.8860 0.3 1 1359 129 129 LYS CD C 29.8000 0.3 1 1360 129 129 LYS CE C 42.2600 0.3 1 1361 129 129 LYS CG C 24.8400 0.3 1 1362 129 129 LYS N N 119.5010 0.2 1 1363 130 130 TYR H H 8.3700 0.02 1 1364 130 130 TYR HA H 4.4810 0.02 1 1365 130 130 TYR HB2 H 3.0920 0.02 2 1366 130 130 TYR HB3 H 3.1930 0.02 2 1367 130 130 TYR HD1 H 6.8870 0.02 3 1368 130 130 TYR HD2 H 6.8870 0.02 3 1369 130 130 TYR HE1 H 6.8240 0.02 3 1370 130 130 TYR HE2 H 6.8240 0.02 3 1371 130 130 TYR C C 179.2880 0.3 1 1372 130 130 TYR CA C 60.2760 0.3 1 1373 130 130 TYR CB C 39.3640 0.3 1 1374 130 130 TYR CD1 C 132.0160 0.3 3 1375 130 130 TYR CD2 C 132.0160 0.3 3 1376 130 130 TYR CE1 C 118.3740 0.3 3 1377 130 130 TYR CE2 C 118.3740 0.3 3 1378 130 130 TYR N N 121.4770 0.2 1 1379 131 131 ILE H H 8.6780 0.02 1 1380 131 131 ILE HA H 3.8310 0.02 1 1381 131 131 ILE HB H 1.9340 0.02 1 1382 131 131 ILE HD1 H 0.9420 0.02 1 1383 131 131 ILE HG12 H 1.6640 0.02 2 1384 131 131 ILE HG13 H 1.1080 0.02 2 1385 131 131 ILE HG2 H 0.9070 0.02 1 1386 131 131 ILE C C 178.0080 0.3 1 1387 131 131 ILE CA C 65.1510 0.3 1 1388 131 131 ILE CB C 38.2040 0.3 1 1389 131 131 ILE CD1 C 13.0700 0.3 1 1390 131 131 ILE CG1 C 28.0160 0.3 1 1391 131 131 ILE CG2 C 17.3230 0.3 1 1392 131 131 ILE N N 117.4400 0.2 1 1393 132 132 THR H H 7.6800 0.02 1 1394 132 132 THR HA H 4.3020 0.02 1 1395 132 132 THR HB H 4.4420 0.02 1 1396 132 132 THR HG2 H 1.2210 0.02 1 1397 132 132 THR C C 175.5640 0.3 1 1398 132 132 THR CA C 62.4640 0.3 1 1399 132 132 THR CB C 70.1280 0.3 1 1400 132 132 THR CG2 C 21.7000 0.3 1 1401 132 132 THR N N 108.7270 0.2 1 1402 133 133 GLY H H 7.6810 0.02 1 1403 133 133 GLY HA2 H 4.0630 0.02 2 1404 133 133 GLY HA3 H 3.8600 0.02 2 1405 133 133 GLY C C 174.8760 0.3 1 1406 133 133 GLY CA C 46.1810 0.3 1 1407 133 133 GLY N N 109.6490 0.2 1 1408 134 134 ARG HA H 4.2260 0.02 1 1409 134 134 ARG HB2 H 1.9850 0.02 2 1410 134 134 ARG HB3 H 1.6700 0.02 2 1411 134 134 ARG HD2 H 3.1650 0.02 2 1412 134 134 ARG HD3 H 3.1650 0.02 2 1413 134 134 ARG HE H 7.1080 0.02 1 1414 134 134 ARG HG2 H 1.7010 0.02 2 1415 134 134 ARG HG3 H 1.7010 0.02 2 1416 134 134 ARG C C 177.0530 0.3 1 1417 134 134 ARG CA C 57.3800 0.3 1 1418 134 134 ARG CB C 30.5480 0.3 1 1419 134 134 ARG CD C 43.2630 0.3 1 1420 134 134 ARG CG C 27.3500 0.3 1 1421 134 134 ARG NE N 84.8100 0.2 1 1422 135 135 ILE H H 7.3620 0.02 1 1423 135 135 ILE HA H 4.6070 0.02 1 1424 135 135 ILE HB H 1.9760 0.02 1 1425 135 135 ILE HD1 H 0.9260 0.02 1 1426 135 135 ILE HG12 H 1.2860 0.02 2 1427 135 135 ILE HG13 H 0.8640 0.02 2 1428 135 135 ILE HG2 H 0.8860 0.02 1 1429 135 135 ILE C C 175.8520 0.3 1 1430 135 135 ILE CA C 60.2750 0.3 1 1431 135 135 ILE CB C 40.4310 0.3 1 1432 135 135 ILE CD1 C 13.4630 0.3 1 1433 135 135 ILE CG1 C 24.9320 0.3 1 1434 135 135 ILE CG2 C 17.6980 0.3 1 1435 135 135 ILE N N 111.9830 0.2 1 1436 136 136 THR H H 8.6920 0.02 1 1437 136 136 THR HA H 4.2960 0.02 1 1438 136 136 THR HB H 4.4410 0.02 1 1439 136 136 THR HG2 H 1.2300 0.02 1 1440 136 136 THR C C 174.4470 0.3 1 1441 136 136 THR CA C 62.4600 0.3 1 1442 136 136 THR CB C 69.9860 0.3 1 1443 136 136 THR CG2 C 21.5770 0.3 1 1444 136 136 THR N N 112.6140 0.2 1 1445 137 137 HIS H H 7.6040 0.02 1 1446 137 137 HIS HA H 4.7960 0.02 1 1447 137 137 HIS HB2 H 3.0600 0.02 2 1448 137 137 HIS HB3 H 3.3730 0.02 2 1449 137 137 HIS HE1 H 7.8640 0.02 1 1450 137 137 HIS C C 173.2550 0.3 1 1451 137 137 HIS CA C 54.3590 0.3 1 1452 137 137 HIS CB C 30.2330 0.3 1 1453 137 137 HIS CE1 C 138.5800 0.3 1 1454 137 137 HIS N N 115.0190 0.2 1 1455 138 138 LEU H H 8.8420 0.02 1 1456 138 138 LEU HA H 4.4600 0.02 1 1457 138 138 LEU HB2 H 1.5050 0.02 2 1458 138 138 LEU HB3 H 1.5050 0.02 2 1459 138 138 LEU HD1 H 0.6420 0.02 2 1460 138 138 LEU HD2 H 0.7250 0.02 2 1461 138 138 LEU HG H 1.1860 0.02 1 1462 138 138 LEU C C 176.2660 0.3 1 1463 138 138 LEU CA C 53.0610 0.3 1 1464 138 138 LEU CB C 40.5140 0.3 1 1465 138 138 LEU CD1 C 25.3400 0.3 2 1466 138 138 LEU CD2 C 23.9820 0.3 2 1467 138 138 LEU CG C 26.7960 0.3 1 1468 138 138 LEU N N 123.3290 0.2 1 1469 139 139 PRO HA H 4.3950 0.02 1 1470 139 139 PRO HB2 H 2.2550 0.02 2 1471 139 139 PRO HB3 H 1.9900 0.02 2 1472 139 139 PRO HD2 H 3.6280 0.02 2 1473 139 139 PRO HD3 H 3.6280 0.02 2 1474 139 139 PRO HG2 H 2.0740 0.02 2 1475 139 139 PRO HG3 H 2.0740 0.02 2 1476 139 139 PRO C C 176.9500 0.3 1 1477 139 139 PRO CA C 64.6690 0.3 1 1478 139 139 PRO CB C 30.9790 0.3 1 1479 139 139 PRO CD C 50.3390 0.3 1 1480 139 139 PRO CG C 27.9220 0.3 1 1481 140 140 VAL H H 7.3890 0.02 1 1482 140 140 VAL HA H 3.8420 0.02 1 1483 140 140 VAL HB H 1.5440 0.02 1 1484 140 140 VAL HG1 H 0.3230 0.02 2 1485 140 140 VAL HG2 H 0.4260 0.02 2 1486 140 140 VAL C C 175.6420 0.3 1 1487 140 140 VAL CA C 62.2700 0.3 1 1488 140 140 VAL CB C 31.9510 0.3 1 1489 140 140 VAL CG1 C 20.1650 0.3 2 1490 140 140 VAL CG2 C 19.6700 0.3 2 1491 140 140 VAL N N 114.7140 0.2 1 1492 141 141 GLY H H 7.9190 0.02 1 1493 141 141 GLY HA2 H 4.0340 0.02 2 1494 141 141 GLY HA3 H 3.9350 0.02 2 1495 141 141 GLY C C 174.0340 0.3 1 1496 141 141 GLY CA C 45.2700 0.3 1 1497 141 141 GLY N N 109.2690 0.2 1 1498 142 142 ASN H H 8.1510 0.02 1 1499 142 142 ASN HA H 4.6480 0.02 1 1500 142 142 ASN HB2 H 2.8190 0.02 2 1501 142 142 ASN HB3 H 2.7330 0.02 2 1502 142 142 ASN HD21 H 7.5940 0.02 2 1503 142 142 ASN HD22 H 6.9010 0.02 2 1504 142 142 ASN C C 175.4560 0.3 1 1505 142 142 ASN CA C 53.2850 0.3 1 1506 142 142 ASN CB C 38.9890 0.3 1 1507 142 142 ASN N N 118.7810 0.2 1 1508 142 142 ASN ND2 N 112.5900 0.2 1 1509 143 143 GLN H H 8.4290 0.02 1 1510 143 143 GLN HA H 4.2490 0.02 1 1511 143 143 GLN HB2 H 1.9660 0.02 2 1512 143 143 GLN HB3 H 2.1010 0.02 2 1513 143 143 GLN HE21 H 7.4970 0.02 2 1514 143 143 GLN HE22 H 6.8570 0.02 2 1515 143 143 GLN HG2 H 2.3430 0.02 2 1516 143 143 GLN HG3 H 2.3430 0.02 2 1517 143 143 GLN C C 176.0280 0.3 1 1518 143 143 GLN CA C 56.2820 0.3 1 1519 143 143 GLN CB C 29.0900 0.3 1 1520 143 143 GLN CG C 33.8310 0.3 1 1521 143 143 GLN N N 120.6110 0.2 1 1522 143 143 GLN NE2 N 112.5100 0.2 1 1523 144 144 LEU H H 8.1850 0.02 1 1524 144 144 LEU HA H 4.2720 0.02 1 1525 144 144 LEU HB2 H 1.6130 0.02 2 1526 144 144 LEU HB3 H 1.5100 0.02 2 1527 144 144 LEU HD1 H 0.9020 0.02 2 1528 144 144 LEU HD2 H 0.8330 0.02 2 1529 144 144 LEU HG H 1.5640 0.02 1 1530 144 144 LEU C C 177.3500 0.3 1 1531 144 144 LEU CA C 55.3900 0.3 1 1532 144 144 LEU CB C 42.1250 0.3 1 1533 144 144 LEU CD1 C 24.9700 0.3 2 1534 144 144 LEU CD2 C 23.4200 0.3 2 1535 144 144 LEU CG C 26.7960 0.3 1 1536 144 144 LEU N N 122.4180 0.2 1 1537 145 145 GLU H H 8.1700 0.02 1 1538 145 145 GLU HA H 4.1790 0.02 1 1539 145 145 GLU HB2 H 1.8950 0.02 2 1540 145 145 GLU HB3 H 1.8950 0.02 2 1541 145 145 GLU HG2 H 2.2010 0.02 2 1542 145 145 GLU HG3 H 2.2010 0.02 2 1543 145 145 GLU C C 176.2510 0.3 1 1544 145 145 GLU CA C 56.4150 0.3 1 1545 145 145 GLU CB C 30.2330 0.3 1 1546 145 145 GLU CG C 35.8950 0.3 1 1547 145 145 GLU N N 120.9690 0.2 1 1548 146 146 HIS H H 8.4720 0.02 1 1549 146 146 HIS HA H 4.6400 0.02 1 1550 146 146 HIS HB2 H 3.1310 0.02 2 1551 146 146 HIS HB3 H 3.1310 0.02 2 1552 146 146 HIS C C 174.2800 0.3 1 1553 146 146 HIS CA C 55.2400 0.3 1 1554 146 146 HIS CB C 29.2670 0.3 1 1555 146 146 HIS N N 119.4770 0.2 1 1556 147 147 HIS H H 8.5450 0.02 1 1557 147 147 HIS HA H 4.6710 0.02 1 1558 147 147 HIS HB2 H 3.1540 0.02 2 1559 147 147 HIS HB3 H 3.1540 0.02 2 1560 147 147 HIS C C 174.3150 0.3 1 1561 147 147 HIS CA C 55.3500 0.3 1 1562 147 147 HIS CB C 29.2340 0.3 1 1563 147 147 HIS N N 119.2960 0.2 1 1564 148 148 HIS H H 8.6460 0.02 1 1565 148 148 HIS HA H 4.6640 0.02 1 1566 148 148 HIS HB2 H 3.1700 0.02 2 1567 148 148 HIS HB3 H 3.1700 0.02 2 1568 148 148 HIS C C 174.1480 0.3 1 1569 148 148 HIS CA C 55.4700 0.3 1 1570 148 148 HIS CB C 29.4200 0.3 1 1571 148 148 HIS N N 119.8930 0.2 1 1572 149 149 HIS H H 8.6860 0.02 1 1573 149 149 HIS HA H 4.6680 0.02 1 1574 149 149 HIS HB2 H 3.1910 0.02 2 1575 149 149 HIS HB3 H 3.1910 0.02 2 1576 149 149 HIS CA C 55.4700 0.3 1 1577 149 149 HIS CB C 29.5000 0.3 1 1578 149 149 HIS N N 120.5940 0.2 1 1579 150 150 HIS H H 8.5790 0.02 1 1580 150 150 HIS HA H 4.6580 0.02 1 1581 150 150 HIS HB2 H 3.2170 0.02 2 1582 150 150 HIS HB3 H 3.2170 0.02 2 1583 150 150 HIS CA C 55.6400 0.3 1 1584 150 150 HIS CB C 29.5800 0.3 1 1585 150 150 HIS N N 120.7670 0.2 1 1586 151 151 HIS H H 8.4020 0.02 1 1587 151 151 HIS HA H 4.4680 0.02 1 1588 151 151 HIS HB2 H 3.2120 0.02 2 1589 151 151 HIS HB3 H 3.2120 0.02 2 1590 151 151 HIS CA C 57.2000 0.3 1 1591 151 151 HIS CB C 29.5400 0.3 1 1592 151 151 HIS N N 125.6930 0.2 1 stop_ save_