data_18188 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; CohA2 ; _BMRB_accession_number 18188 _BMRB_flat_file_name bmr18188.str _Entry_type original _Submission_date 2012-01-09 _Accession_date 2012-01-09 _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 Feng Yingang . . 2 Cui Zhenling . . 3 Li Yifei . . 4 Cui Qiu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 810 "13C chemical shifts" 640 "15N chemical shifts" 151 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-03-25 update BMRB 'update entry citation' 2012-03-27 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Resonance assignments of cohesin and dockerin domains from Clostridium acetobutylicum ATCC824.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22446850 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cui Zhenling . . 2 Li Yifei . . 3 Xiao Yan . . 4 Feng Yingang . . 5 Cui Qui . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 73 _Page_last 76 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CohA2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CohA2 $CohA2 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_CohA2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CohA2 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 155 _Mol_residue_sequence ; GSASVKNETVKLSVGTVSGN PGDTVKVPVTISQVSTPVGL ICMDISYDASKFTVKDVLPN TDLVKDTDNYSFIVNTSTPG KISITFTDPTLANYPISVDG ILAYLDFIINSNATAGDSAL TVDPATLIVADENDKDIKDA ASNGKITVTGSAPTS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 GLY 2 -2 SER 3 -1 ALA 4 0 SER 5 1 VAL 6 2 LYS 7 3 ASN 8 4 GLU 9 5 THR 10 6 VAL 11 7 LYS 12 8 LEU 13 9 SER 14 10 VAL 15 11 GLY 16 12 THR 17 13 VAL 18 14 SER 19 15 GLY 20 16 ASN 21 17 PRO 22 18 GLY 23 19 ASP 24 20 THR 25 21 VAL 26 22 LYS 27 23 VAL 28 24 PRO 29 25 VAL 30 26 THR 31 27 ILE 32 28 SER 33 29 GLN 34 30 VAL 35 31 SER 36 32 THR 37 33 PRO 38 34 VAL 39 35 GLY 40 36 LEU 41 37 ILE 42 38 CYS 43 39 MET 44 40 ASP 45 41 ILE 46 42 SER 47 43 TYR 48 44 ASP 49 45 ALA 50 46 SER 51 47 LYS 52 48 PHE 53 49 THR 54 50 VAL 55 51 LYS 56 52 ASP 57 53 VAL 58 54 LEU 59 55 PRO 60 56 ASN 61 57 THR 62 58 ASP 63 59 LEU 64 60 VAL 65 61 LYS 66 62 ASP 67 63 THR 68 64 ASP 69 65 ASN 70 66 TYR 71 67 SER 72 68 PHE 73 69 ILE 74 70 VAL 75 71 ASN 76 72 THR 77 73 SER 78 74 THR 79 75 PRO 80 76 GLY 81 77 LYS 82 78 ILE 83 79 SER 84 80 ILE 85 81 THR 86 82 PHE 87 83 THR 88 84 ASP 89 85 PRO 90 86 THR 91 87 LEU 92 88 ALA 93 89 ASN 94 90 TYR 95 91 PRO 96 92 ILE 97 93 SER 98 94 VAL 99 95 ASP 100 96 GLY 101 97 ILE 102 98 LEU 103 99 ALA 104 100 TYR 105 101 LEU 106 102 ASP 107 103 PHE 108 104 ILE 109 105 ILE 110 106 ASN 111 107 SER 112 108 ASN 113 109 ALA 114 110 THR 115 111 ALA 116 112 GLY 117 113 ASP 118 114 SER 119 115 ALA 120 116 LEU 121 117 THR 122 118 VAL 123 119 ASP 124 120 PRO 125 121 ALA 126 122 THR 127 123 LEU 128 124 ILE 129 125 VAL 130 126 ALA 131 127 ASP 132 128 GLU 133 129 ASN 134 130 ASP 135 131 LYS 136 132 ASP 137 133 ILE 138 134 LYS 139 135 ASP 140 136 ALA 141 137 ALA 142 138 SER 143 139 ASN 144 140 GLY 145 141 LYS 146 142 ILE 147 143 THR 148 144 VAL 149 145 THR 150 146 GLY 151 147 SER 152 148 ALA 153 149 PRO 154 150 THR 155 151 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $CohA2 'Clostridium acetobutylicum' 1488 Bacteria . Clostridium acetobutylicum ATCC824 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 $CohA2 'recombinant technology' . Escherichia coli . pET28aNS 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 $CohA2 0.6 mM '[U-100% 13C; U-100% 15N]' 'sodium acetate' 20 mM 'natural abundance' 'potassium chloride' 100 mM 'natural abundance' 'calcium chloride' 1 mM 'natural abundance' 'sodium azide' 0.01 '% w/v' 'natural abundance' DSS 0.05 '% w/v' 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' 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 'data analysis' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _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_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 121 . mM pH 4.8 . 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' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' 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 CohA2 _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 -3 1 GLY HA2 H 3.9110 0.02 2 2 -3 1 GLY HA3 H 3.9110 0.02 2 3 -3 1 GLY C C 170.3610 0.3 1 4 -3 1 GLY CA C 43.4870 0.3 1 5 -2 2 SER H H 8.6870 0.02 1 6 -2 2 SER HA H 4.5100 0.02 1 7 -2 2 SER HB2 H 3.8850 0.02 2 8 -2 2 SER HB3 H 3.8850 0.02 2 9 -2 2 SER C C 174.3350 0.3 1 10 -2 2 SER CA C 58.4270 0.3 1 11 -2 2 SER CB C 64.1130 0.3 1 12 -2 2 SER N N 116.0500 0.2 1 13 -1 3 ALA H H 8.5400 0.02 1 14 -1 3 ALA HA H 4.3990 0.02 1 15 -1 3 ALA HB H 1.4150 0.02 1 16 -1 3 ALA C C 177.8290 0.3 1 17 -1 3 ALA CA C 52.6780 0.3 1 18 -1 3 ALA CB C 19.2930 0.3 1 19 -1 3 ALA N N 126.2110 0.2 1 20 0 4 SER H H 8.3060 0.02 1 21 0 4 SER HA H 4.4620 0.02 1 22 0 4 SER HB2 H 3.8540 0.02 2 23 0 4 SER HB3 H 3.8540 0.02 2 24 0 4 SER C C 174.5900 0.3 1 25 0 4 SER CA C 58.2700 0.3 1 26 0 4 SER CB C 63.9300 0.3 1 27 0 4 SER N N 115.4550 0.2 1 28 1 5 VAL H H 8.1470 0.02 1 29 1 5 VAL HA H 4.1420 0.02 1 30 1 5 VAL HB H 2.0870 0.02 1 31 1 5 VAL HG1 H 0.9270 0.02 2 32 1 5 VAL HG2 H 0.9270 0.02 2 33 1 5 VAL C C 176.1160 0.3 1 34 1 5 VAL CA C 62.3390 0.3 1 35 1 5 VAL CB C 32.6400 0.3 1 36 1 5 VAL CG1 C 20.8520 0.3 2 37 1 5 VAL CG2 C 20.8520 0.3 2 38 1 5 VAL N N 122.1400 0.2 1 39 2 6 LYS H H 8.3940 0.02 1 40 2 6 LYS HA H 4.3050 0.02 1 41 2 6 LYS HB2 H 1.7480 0.02 2 42 2 6 LYS HB3 H 1.7810 0.02 2 43 2 6 LYS HG2 H 1.3750 0.02 2 44 2 6 LYS HG3 H 1.4240 0.02 2 45 2 6 LYS HD2 H 1.6660 0.02 2 46 2 6 LYS HD3 H 1.6660 0.02 2 47 2 6 LYS HE2 H 2.9810 0.02 2 48 2 6 LYS HE3 H 2.9810 0.02 2 49 2 6 LYS C C 176.1520 0.3 1 50 2 6 LYS CA C 56.4190 0.3 1 51 2 6 LYS CB C 32.9890 0.3 1 52 2 6 LYS CG C 24.7640 0.3 1 53 2 6 LYS CD C 29.0620 0.3 1 54 2 6 LYS CE C 42.2050 0.3 1 55 2 6 LYS N N 124.9520 0.2 1 56 3 7 ASN H H 8.4780 0.02 1 57 3 7 ASN HA H 4.7060 0.02 1 58 3 7 ASN HB2 H 2.7100 0.02 2 59 3 7 ASN HB3 H 2.8260 0.02 2 60 3 7 ASN HD21 H 7.6010 0.02 2 61 3 7 ASN HD22 H 6.9080 0.02 2 62 3 7 ASN C C 174.9160 0.3 1 63 3 7 ASN CA C 53.1360 0.3 1 64 3 7 ASN CB C 38.8200 0.3 1 65 3 7 ASN N N 120.3500 0.2 1 66 3 7 ASN ND2 N 112.8100 0.2 1 67 4 8 GLU H H 8.4320 0.02 1 68 4 8 GLU HA H 4.3660 0.02 1 69 4 8 GLU HB2 H 1.9430 0.02 2 70 4 8 GLU HB3 H 2.0830 0.02 2 71 4 8 GLU HG2 H 2.2540 0.02 2 72 4 8 GLU HG3 H 2.3120 0.02 2 73 4 8 GLU C C 176.0930 0.3 1 74 4 8 GLU CA C 56.3100 0.3 1 75 4 8 GLU CB C 30.3770 0.3 1 76 4 8 GLU CG C 35.4770 0.3 1 77 4 8 GLU N N 121.9460 0.2 1 78 5 9 THR H H 8.2070 0.02 1 79 5 9 THR HA H 4.1450 0.02 1 80 5 9 THR HB H 3.8390 0.02 1 81 5 9 THR HG2 H 0.9120 0.02 1 82 5 9 THR CA C 62.4130 0.3 1 83 5 9 THR CB C 71.3000 0.3 1 84 5 9 THR N N 119.6400 0.2 1 85 7 11 LYS HA H 5.2350 0.02 1 86 7 11 LYS HB2 H 1.6100 0.02 2 87 7 11 LYS HB3 H 1.6100 0.02 2 88 7 11 LYS HG2 H 1.1140 0.02 2 89 7 11 LYS HG3 H 1.2620 0.02 2 90 7 11 LYS HD2 H 1.2520 0.02 2 91 7 11 LYS HD3 H 1.3400 0.02 2 92 7 11 LYS HE2 H 2.5180 0.02 2 93 7 11 LYS HE3 H 2.5950 0.02 2 94 7 11 LYS C C 175.7440 0.3 1 95 7 11 LYS CA C 54.6250 0.3 1 96 7 11 LYS CB C 34.5440 0.3 1 97 7 11 LYS CG C 23.9190 0.3 1 98 7 11 LYS CD C 28.9310 0.3 1 99 7 11 LYS CE C 40.4410 0.3 1 100 8 12 LEU H H 8.6370 0.02 1 101 8 12 LEU HA H 5.4170 0.02 1 102 8 12 LEU HB2 H 1.3350 0.02 2 103 8 12 LEU HB3 H 1.7350 0.02 2 104 8 12 LEU HG H 1.7140 0.02 1 105 8 12 LEU HD1 H 0.9020 0.02 2 106 8 12 LEU HD2 H 0.8830 0.02 2 107 8 12 LEU C C 175.9530 0.3 1 108 8 12 LEU CA C 52.2810 0.3 1 109 8 12 LEU CB C 43.6370 0.3 1 110 8 12 LEU CG C 28.5440 0.3 1 111 8 12 LEU CD1 C 25.7600 0.3 2 112 8 12 LEU CD2 C 24.4340 0.3 2 113 8 12 LEU N N 128.6390 0.2 1 114 9 13 SER H H 8.9100 0.02 1 115 9 13 SER HA H 5.4380 0.02 1 116 9 13 SER HB2 H 3.5670 0.02 2 117 9 13 SER HB3 H 3.6970 0.02 2 118 9 13 SER C C 173.1070 0.3 1 119 9 13 SER CA C 56.1900 0.3 1 120 9 13 SER CB C 64.8490 0.3 1 121 9 13 SER N N 115.2130 0.2 1 122 10 14 VAL H H 7.9570 0.02 1 123 10 14 VAL HA H 4.3280 0.02 1 124 10 14 VAL HB H 1.9880 0.02 1 125 10 14 VAL HG1 H 1.0660 0.02 2 126 10 14 VAL HG2 H 0.8510 0.02 2 127 10 14 VAL C C 175.4520 0.3 1 128 10 14 VAL CA C 61.7800 0.3 1 129 10 14 VAL CB C 32.0640 0.3 1 130 10 14 VAL CG1 C 23.3880 0.3 2 131 10 14 VAL CG2 C 22.4020 0.3 2 132 10 14 VAL N N 125.9190 0.2 1 133 11 15 GLY H H 8.2210 0.02 1 134 11 15 GLY HA2 H 3.6590 0.02 2 135 11 15 GLY HA3 H 4.2700 0.02 2 136 11 15 GLY C C 170.3830 0.3 1 137 11 15 GLY CA C 45.4040 0.3 1 138 11 15 GLY N N 111.8040 0.2 1 139 12 16 THR H H 7.8660 0.02 1 140 12 16 THR HA H 5.7060 0.02 1 141 12 16 THR HB H 3.9940 0.02 1 142 12 16 THR HG2 H 1.1340 0.02 1 143 12 16 THR C C 174.4180 0.3 1 144 12 16 THR CA C 60.5020 0.3 1 145 12 16 THR CB C 72.2200 0.3 1 146 12 16 THR CG2 C 21.2590 0.3 1 147 12 16 THR N N 110.3040 0.2 1 148 13 17 VAL H H 8.1710 0.02 1 149 13 17 VAL HA H 4.7670 0.02 1 150 13 17 VAL HB H 2.2570 0.02 1 151 13 17 VAL HG1 H 0.9120 0.02 2 152 13 17 VAL HG2 H 0.9910 0.02 2 153 13 17 VAL C C 173.1470 0.3 1 154 13 17 VAL CA C 59.9660 0.3 1 155 13 17 VAL CB C 36.3050 0.3 1 156 13 17 VAL CG1 C 21.5480 0.3 2 157 13 17 VAL CG2 C 21.5480 0.3 2 158 13 17 VAL N N 119.8560 0.2 1 159 14 18 SER H H 8.2560 0.02 1 160 14 18 SER HA H 5.8620 0.02 1 161 14 18 SER HB2 H 3.7350 0.02 2 162 14 18 SER HB3 H 3.7350 0.02 2 163 14 18 SER C C 173.3780 0.3 1 164 14 18 SER CA C 56.4310 0.3 1 165 14 18 SER CB C 66.2610 0.3 1 166 14 18 SER N N 116.6770 0.2 1 167 15 19 GLY H H 8.5350 0.02 1 168 15 19 GLY HA2 H 3.6440 0.02 2 169 15 19 GLY HA3 H 4.2700 0.02 2 170 15 19 GLY C C 170.5630 0.3 1 171 15 19 GLY CA C 45.6220 0.3 1 172 15 19 GLY N N 106.4450 0.2 1 173 16 20 ASN H H 8.8580 0.02 1 174 16 20 ASN HA H 5.3490 0.02 1 175 16 20 ASN HB2 H 2.5140 0.02 2 176 16 20 ASN HB3 H 2.6740 0.02 2 177 16 20 ASN HD21 H 7.8960 0.02 2 178 16 20 ASN HD22 H 6.9030 0.02 2 179 16 20 ASN C C 173.1260 0.3 1 180 16 20 ASN CA C 50.8080 0.3 1 181 16 20 ASN CB C 38.2170 0.3 1 182 16 20 ASN N N 118.5730 0.2 1 183 16 20 ASN ND2 N 115.4740 0.2 1 184 17 21 PRO HA H 3.9930 0.02 1 185 17 21 PRO HB2 H 1.8600 0.02 2 186 17 21 PRO HB3 H 2.5830 0.02 2 187 17 21 PRO HG2 H 1.8280 0.02 2 188 17 21 PRO HG3 H 2.2440 0.02 2 189 17 21 PRO HD2 H 4.0590 0.02 2 190 17 21 PRO HD3 H 3.5300 0.02 2 191 17 21 PRO C C 177.0250 0.3 1 192 17 21 PRO CA C 65.1080 0.3 1 193 17 21 PRO CB C 31.6690 0.3 1 194 17 21 PRO CG C 28.7300 0.3 1 195 17 21 PRO CD C 50.5520 0.3 1 196 18 22 GLY H H 7.9300 0.02 1 197 18 22 GLY HA2 H 3.7430 0.02 2 198 18 22 GLY HA3 H 4.4440 0.02 2 199 18 22 GLY C C 174.5490 0.3 1 200 18 22 GLY CA C 45.2490 0.3 1 201 18 22 GLY N N 115.0570 0.2 1 202 19 23 ASP H H 8.3300 0.02 1 203 19 23 ASP HA H 4.7460 0.02 1 204 19 23 ASP HB2 H 2.6520 0.02 2 205 19 23 ASP HB3 H 2.9970 0.02 2 206 19 23 ASP C C 175.6750 0.3 1 207 19 23 ASP CA C 54.9200 0.3 1 208 19 23 ASP CB C 41.6260 0.3 1 209 19 23 ASP N N 121.1980 0.2 1 210 20 24 THR H H 8.4820 0.02 1 211 20 24 THR HA H 5.3930 0.02 1 212 20 24 THR HB H 3.9970 0.02 1 213 20 24 THR HG2 H 1.0110 0.02 1 214 20 24 THR C C 175.1110 0.3 1 215 20 24 THR CA C 61.8150 0.3 1 216 20 24 THR CB C 69.5490 0.3 1 217 20 24 THR CG2 C 20.7090 0.3 1 218 20 24 THR N N 115.5820 0.2 1 219 21 25 VAL H H 9.5050 0.02 1 220 21 25 VAL HA H 4.8250 0.02 1 221 21 25 VAL HB H 2.0670 0.02 1 222 21 25 VAL HG1 H 0.7360 0.02 2 223 21 25 VAL HG2 H 0.8260 0.02 2 224 21 25 VAL C C 172.8330 0.3 1 225 21 25 VAL CA C 58.7730 0.3 1 226 21 25 VAL CB C 34.8710 0.3 1 227 21 25 VAL CG1 C 18.6220 0.3 2 228 21 25 VAL CG2 C 22.4090 0.3 2 229 21 25 VAL N N 120.0980 0.2 1 230 22 26 LYS H H 8.3940 0.02 1 231 22 26 LYS HA H 5.2300 0.02 1 232 22 26 LYS HB2 H 1.6110 0.02 2 233 22 26 LYS HB3 H 1.6110 0.02 2 234 22 26 LYS HG2 H 1.1130 0.02 2 235 22 26 LYS HG3 H 1.2590 0.02 2 236 22 26 LYS HD2 H 1.3390 0.02 2 237 22 26 LYS HD3 H 1.3390 0.02 2 238 22 26 LYS HE2 H 2.5160 0.02 2 239 22 26 LYS HE3 H 2.5990 0.02 2 240 22 26 LYS C C 175.2890 0.3 1 241 22 26 LYS CA C 54.6820 0.3 1 242 22 26 LYS CB C 34.4350 0.3 1 243 22 26 LYS CG C 23.9490 0.3 1 244 22 26 LYS CD C 28.8170 0.3 1 245 22 26 LYS CE C 40.5200 0.3 1 246 22 26 LYS N N 124.1450 0.2 1 247 23 27 VAL H H 9.6070 0.02 1 248 23 27 VAL HA H 4.5800 0.02 1 249 23 27 VAL HB H 2.2300 0.02 1 250 23 27 VAL HG1 H 0.8650 0.02 2 251 23 27 VAL HG2 H 0.8650 0.02 2 252 23 27 VAL C C 174.5100 0.3 1 253 23 27 VAL CA C 59.0290 0.3 1 254 23 27 VAL CB C 35.1910 0.3 1 255 23 27 VAL CG1 C 21.3120 0.3 2 256 23 27 VAL CG2 C 21.3120 0.3 2 257 23 27 VAL N N 126.4950 0.2 1 258 24 28 PRO HA H 4.8360 0.02 1 259 24 28 PRO HB2 H 1.7540 0.02 2 260 24 28 PRO HB3 H 2.0930 0.02 2 261 24 28 PRO HG2 H 2.1950 0.02 2 262 24 28 PRO HG3 H 2.2400 0.02 2 263 24 28 PRO HD2 H 3.7600 0.02 2 264 24 28 PRO HD3 H 4.1090 0.02 2 265 24 28 PRO C C 176.1880 0.3 1 266 24 28 PRO CA C 62.3150 0.3 1 267 24 28 PRO CB C 32.5790 0.3 1 268 24 28 PRO CG C 27.1710 0.3 1 269 24 28 PRO CD C 51.3120 0.3 1 270 25 29 VAL H H 8.5770 0.02 1 271 25 29 VAL HA H 4.8660 0.02 1 272 25 29 VAL HB H 1.8100 0.02 1 273 25 29 VAL HG1 H 0.8030 0.02 2 274 25 29 VAL HG2 H 0.8030 0.02 2 275 25 29 VAL C C 175.8110 0.3 1 276 25 29 VAL CA C 61.1890 0.3 1 277 25 29 VAL CB C 33.3650 0.3 1 278 25 29 VAL CG1 C 20.8100 0.3 2 279 25 29 VAL CG2 C 20.8100 0.3 2 280 25 29 VAL N N 122.3450 0.2 1 281 26 30 THR H H 9.3400 0.02 1 282 26 30 THR HA H 4.8500 0.02 1 283 26 30 THR HB H 3.9910 0.02 1 284 26 30 THR HG2 H 1.0120 0.02 1 285 26 30 THR C C 172.6910 0.3 1 286 26 30 THR CA C 61.5120 0.3 1 287 26 30 THR CB C 71.1030 0.3 1 288 26 30 THR CG2 C 21.1170 0.3 1 289 26 30 THR N N 121.2070 0.2 1 290 27 31 ILE H H 9.3560 0.02 1 291 27 31 ILE HA H 5.4880 0.02 1 292 27 31 ILE HB H 1.4410 0.02 1 293 27 31 ILE HG12 H 0.9590 0.02 2 294 27 31 ILE HG13 H 0.9590 0.02 2 295 27 31 ILE HG2 H 0.9400 0.02 1 296 27 31 ILE HD1 H 0.7640 0.02 1 297 27 31 ILE C C 172.8970 0.3 1 298 27 31 ILE CA C 58.9520 0.3 1 299 27 31 ILE CB C 42.9050 0.3 1 300 27 31 ILE CG1 C 29.0170 0.3 1 301 27 31 ILE CG2 C 15.2370 0.3 1 302 27 31 ILE CD1 C 14.0570 0.3 1 303 27 31 ILE N N 124.6800 0.2 1 304 28 32 SER H H 9.1510 0.02 1 305 28 32 SER HA H 4.7620 0.02 1 306 28 32 SER HB2 H 3.7440 0.02 2 307 28 32 SER HB3 H 3.8000 0.02 2 308 28 32 SER C C 172.3300 0.3 1 309 28 32 SER CA C 56.4570 0.3 1 310 28 32 SER CB C 66.8130 0.3 1 311 28 32 SER N N 121.0300 0.2 1 312 29 33 GLN H H 9.0920 0.02 1 313 29 33 GLN HA H 3.7980 0.02 1 314 29 33 GLN HB2 H 2.6950 0.02 2 315 29 33 GLN HB3 H 2.2160 0.02 2 316 29 33 GLN HG2 H 2.2970 0.02 2 317 29 33 GLN HG3 H 2.2970 0.02 2 318 29 33 GLN HE21 H 7.9320 0.02 2 319 29 33 GLN HE22 H 7.0360 0.02 2 320 29 33 GLN C C 175.0750 0.3 1 321 29 33 GLN CA C 56.8440 0.3 1 322 29 33 GLN CB C 25.3900 0.3 1 323 29 33 GLN CG C 35.3680 0.3 1 324 29 33 GLN N N 113.8290 0.2 1 325 29 33 GLN NE2 N 112.9800 0.2 1 326 30 34 VAL H H 8.8520 0.02 1 327 30 34 VAL HA H 3.7010 0.02 1 328 30 34 VAL HB H 1.7000 0.02 1 329 30 34 VAL HG1 H 0.6500 0.02 2 330 30 34 VAL HG2 H 0.5950 0.02 2 331 30 34 VAL C C 177.4640 0.3 1 332 30 34 VAL CA C 63.8930 0.3 1 333 30 34 VAL CB C 31.4410 0.3 1 334 30 34 VAL CG1 C 23.1540 0.3 2 335 30 34 VAL CG2 C 21.2610 0.3 2 336 30 34 VAL N N 119.7470 0.2 1 337 31 35 SER H H 9.3020 0.02 1 338 31 35 SER HA H 4.4590 0.02 1 339 31 35 SER HB2 H 3.8420 0.02 2 340 31 35 SER HB3 H 3.8110 0.02 2 341 31 35 SER C C 173.8720 0.3 1 342 31 35 SER CA C 58.3340 0.3 1 343 31 35 SER CB C 64.0010 0.3 1 344 31 35 SER N N 124.1260 0.2 1 345 32 36 THR H H 8.5440 0.02 1 346 32 36 THR HA H 4.4520 0.02 1 347 32 36 THR HB H 3.9960 0.02 1 348 32 36 THR HG2 H 1.1520 0.02 1 349 32 36 THR CA C 61.6570 0.3 1 350 32 36 THR CB C 64.7200 0.3 1 351 32 36 THR CG2 C 21.4440 0.3 1 352 32 36 THR N N 123.4000 0.2 1 353 33 37 PRO HA H 4.2330 0.02 1 354 33 37 PRO HB2 H 1.7480 0.02 2 355 33 37 PRO HB3 H 2.0990 0.02 2 356 33 37 PRO HG2 H 2.2100 0.02 2 357 33 37 PRO HG3 H 2.2100 0.02 2 358 33 37 PRO HD2 H 3.7650 0.02 2 359 33 37 PRO HD3 H 4.1310 0.02 2 360 33 37 PRO C C 176.3690 0.3 1 361 33 37 PRO CA C 64.2000 0.3 1 362 33 37 PRO CB C 32.3490 0.3 1 363 33 37 PRO CG C 27.1560 0.3 1 364 33 37 PRO CD C 51.4710 0.3 1 365 34 38 VAL H H 8.7250 0.02 1 366 34 38 VAL HA H 3.8840 0.02 1 367 34 38 VAL HB H 2.2300 0.02 1 368 34 38 VAL HG1 H 1.0140 0.02 2 369 34 38 VAL HG2 H 1.1050 0.02 2 370 34 38 VAL C C 175.9840 0.3 1 371 34 38 VAL CA C 63.3530 0.3 1 372 34 38 VAL CB C 34.2840 0.3 1 373 34 38 VAL CG1 C 21.6910 0.3 2 374 34 38 VAL CG2 C 23.0560 0.3 2 375 34 38 VAL N N 126.5350 0.2 1 376 35 39 GLY H H 9.1690 0.02 1 377 35 39 GLY HA2 H 3.3110 0.02 2 378 35 39 GLY HA3 H 4.5460 0.02 2 379 35 39 GLY C C 172.0590 0.3 1 380 35 39 GLY CA C 45.0800 0.3 1 381 35 39 GLY N N 112.1360 0.2 1 382 36 40 LEU H H 7.7900 0.02 1 383 36 40 LEU HA H 5.4000 0.02 1 384 36 40 LEU HB2 H 1.5850 0.02 2 385 36 40 LEU HB3 H 1.6590 0.02 2 386 36 40 LEU HG H 1.4760 0.02 1 387 36 40 LEU HD1 H 0.7800 0.02 2 388 36 40 LEU HD2 H 0.9170 0.02 2 389 36 40 LEU C C 175.2070 0.3 1 390 36 40 LEU CA C 55.0940 0.3 1 391 36 40 LEU CB C 45.7180 0.3 1 392 36 40 LEU CG C 27.6340 0.3 1 393 36 40 LEU CD1 C 26.0500 0.3 2 394 36 40 LEU CD2 C 24.4340 0.3 2 395 36 40 LEU N N 123.5670 0.2 1 396 37 41 ILE H H 9.6670 0.02 1 397 37 41 ILE HA H 5.1950 0.02 1 398 37 41 ILE HB H 1.7340 0.02 1 399 37 41 ILE HG12 H 1.1480 0.02 2 400 37 41 ILE HG13 H 1.8670 0.02 2 401 37 41 ILE HG2 H 0.8250 0.02 1 402 37 41 ILE HD1 H 0.8100 0.02 1 403 37 41 ILE C C 175.2770 0.3 1 404 37 41 ILE CA C 60.6580 0.3 1 405 37 41 ILE CB C 44.1980 0.3 1 406 37 41 ILE CG1 C 28.6850 0.3 1 407 37 41 ILE CG2 C 16.9030 0.3 1 408 37 41 ILE CD1 C 16.0250 0.3 1 409 37 41 ILE N N 125.0460 0.2 1 410 38 42 CYS H H 9.5160 0.02 1 411 38 42 CYS HA H 5.4290 0.02 1 412 38 42 CYS HB2 H 2.7240 0.02 2 413 38 42 CYS HB3 H 3.1280 0.02 2 414 38 42 CYS C C 173.0900 0.3 1 415 38 42 CYS CA C 57.4610 0.3 1 416 38 42 CYS CB C 30.2660 0.3 1 417 38 42 CYS N N 125.1340 0.2 1 418 39 43 MET H H 8.8000 0.02 1 419 39 43 MET HA H 4.9850 0.02 1 420 39 43 MET HB2 H 1.7580 0.02 2 421 39 43 MET HB3 H 1.7580 0.02 2 422 39 43 MET HG2 H 2.2190 0.02 2 423 39 43 MET HG3 H 2.2190 0.02 2 424 39 43 MET HE H 0.8710 0.02 1 425 39 43 MET C C 172.4130 0.3 1 426 39 43 MET CA C 54.6250 0.3 1 427 39 43 MET CB C 37.7480 0.3 1 428 39 43 MET CG C 30.9310 0.3 1 429 39 43 MET CE C 21.6390 0.3 1 430 39 43 MET N N 119.4400 0.2 1 431 40 44 ASP H H 9.7060 0.02 1 432 40 44 ASP HA H 5.8180 0.02 1 433 40 44 ASP HB2 H 2.4740 0.02 2 434 40 44 ASP HB3 H 2.5830 0.02 2 435 40 44 ASP C C 175.2420 0.3 1 436 40 44 ASP CA C 52.9270 0.3 1 437 40 44 ASP CB C 44.4450 0.3 1 438 40 44 ASP N N 123.9840 0.2 1 439 41 45 ILE H H 9.5620 0.02 1 440 41 45 ILE HA H 5.0080 0.02 1 441 41 45 ILE HB H 1.6910 0.02 1 442 41 45 ILE HG12 H 0.8400 0.02 2 443 41 45 ILE HG13 H 1.5410 0.02 2 444 41 45 ILE HG2 H 0.8090 0.02 1 445 41 45 ILE HD1 H 0.8420 0.02 1 446 41 45 ILE C C 175.6420 0.3 1 447 41 45 ILE CA C 59.4050 0.3 1 448 41 45 ILE CB C 41.9600 0.3 1 449 41 45 ILE CG1 C 28.7850 0.3 1 450 41 45 ILE CG2 C 17.5010 0.3 1 451 41 45 ILE CD1 C 15.6130 0.3 1 452 41 45 ILE N N 123.0060 0.2 1 453 42 46 SER H H 9.4900 0.02 1 454 42 46 SER HA H 5.6570 0.02 1 455 42 46 SER HB2 H 3.8810 0.02 2 456 42 46 SER HB3 H 3.8810 0.02 2 457 42 46 SER C C 172.6850 0.3 1 458 42 46 SER CA C 57.2530 0.3 1 459 42 46 SER CB C 65.4080 0.3 1 460 42 46 SER N N 124.1100 0.2 1 461 43 47 TYR H H 8.2700 0.02 1 462 43 47 TYR HA H 4.9910 0.02 1 463 43 47 TYR HB2 H 2.6250 0.02 2 464 43 47 TYR HB3 H 2.6250 0.02 2 465 43 47 TYR HD1 H 7.0830 0.02 3 466 43 47 TYR HE1 H 6.9040 0.02 3 467 43 47 TYR HD2 H 7.0830 0.02 3 468 43 47 TYR HE2 H 6.9040 0.02 3 469 43 47 TYR C C 173.2580 0.3 1 470 43 47 TYR CA C 54.6670 0.3 1 471 43 47 TYR CB C 42.4360 0.3 1 472 43 47 TYR CD1 C 133.2800 0.3 3 473 43 47 TYR CE1 C 118.5300 0.3 3 474 43 47 TYR CD2 C 133.2800 0.3 3 475 43 47 TYR CE2 C 118.5300 0.3 3 476 43 47 TYR N N 117.5350 0.2 1 477 44 48 ASP H H 9.4890 0.02 1 478 44 48 ASP HA H 4.5830 0.02 1 479 44 48 ASP HB2 H 2.6970 0.02 2 480 44 48 ASP HB3 H 3.0010 0.02 2 481 44 48 ASP C C 176.7390 0.3 1 482 44 48 ASP CA C 53.1900 0.3 1 483 44 48 ASP CB C 39.7100 0.3 1 484 44 48 ASP N N 118.7610 0.2 1 485 45 49 ALA H H 8.7270 0.02 1 486 45 49 ALA HA H 4.9660 0.02 1 487 45 49 ALA HB H 1.3880 0.02 1 488 45 49 ALA C C 178.1170 0.3 1 489 45 49 ALA CA C 53.2340 0.3 1 490 45 49 ALA CB C 18.0050 0.3 1 491 45 49 ALA N N 131.5220 0.2 1 492 46 50 SER H H 8.7350 0.02 1 493 46 50 SER HA H 4.3770 0.02 1 494 46 50 SER HB2 H 3.8760 0.02 2 495 46 50 SER HB3 H 3.9460 0.02 2 496 46 50 SER C C 175.5060 0.3 1 497 46 50 SER CA C 60.2510 0.3 1 498 46 50 SER CB C 63.2510 0.3 1 499 46 50 SER N N 113.8280 0.2 1 500 47 51 LYS H H 7.1300 0.02 1 501 47 51 LYS HA H 4.0320 0.02 1 502 47 51 LYS HB2 H 0.5590 0.02 2 503 47 51 LYS HB3 H 0.5590 0.02 2 504 47 51 LYS HG2 H 0.8880 0.02 2 505 47 51 LYS HG3 H 1.1170 0.02 2 506 47 51 LYS HD2 H 1.2690 0.02 2 507 47 51 LYS HD3 H 1.4450 0.02 2 508 47 51 LYS HE2 H 2.8290 0.02 2 509 47 51 LYS HE3 H 2.8290 0.02 2 510 47 51 LYS C C 173.9820 0.3 1 511 47 51 LYS CA C 57.9490 0.3 1 512 47 51 LYS CB C 35.4460 0.3 1 513 47 51 LYS CG C 26.4000 0.3 1 514 47 51 LYS CD C 29.7750 0.3 1 515 47 51 LYS CE C 42.3520 0.3 1 516 47 51 LYS N N 121.1560 0.2 1 517 48 52 PHE H H 7.6490 0.02 1 518 48 52 PHE HA H 5.6690 0.02 1 519 48 52 PHE HB2 H 2.5290 0.02 2 520 48 52 PHE HB3 H 2.9000 0.02 2 521 48 52 PHE HD1 H 6.5450 0.02 3 522 48 52 PHE HD2 H 6.5450 0.02 3 523 48 52 PHE HE1 H 6.1040 0.02 3 524 48 52 PHE HE2 H 6.1040 0.02 3 525 48 52 PHE HZ H 6.3650 0.02 1 526 48 52 PHE C C 174.6860 0.3 1 527 48 52 PHE CA C 54.6250 0.3 1 528 48 52 PHE CB C 43.4430 0.3 1 529 48 52 PHE CD1 C 131.0300 0.3 3 530 48 52 PHE CD2 C 131.0300 0.3 3 531 48 52 PHE CE1 C 131.0300 0.3 3 532 48 52 PHE CE2 C 131.0300 0.3 3 533 48 52 PHE CZ C 128.0300 0.3 1 534 48 52 PHE N N 115.4610 0.2 1 535 49 53 THR H H 8.9140 0.02 1 536 49 53 THR HA H 4.9220 0.02 1 537 49 53 THR HB H 4.0090 0.02 1 538 49 53 THR HG2 H 1.0210 0.02 1 539 49 53 THR C C 174.4770 0.3 1 540 49 53 THR CA C 60.7860 0.3 1 541 49 53 THR CB C 71.9720 0.3 1 542 49 53 THR CG2 C 22.0750 0.3 1 543 49 53 THR N N 115.5980 0.2 1 544 50 54 VAL H H 9.0850 0.02 1 545 50 54 VAL HA H 3.6190 0.02 1 546 50 54 VAL HB H 1.8530 0.02 1 547 50 54 VAL HG1 H 0.5000 0.02 2 548 50 54 VAL HG2 H 0.6260 0.02 2 549 50 54 VAL C C 174.6570 0.3 1 550 50 54 VAL CA C 63.5600 0.3 1 551 50 54 VAL CB C 32.0760 0.3 1 552 50 54 VAL CG1 C 22.6740 0.3 2 553 50 54 VAL CG2 C 20.6880 0.3 2 554 50 54 VAL N N 127.1280 0.2 1 555 51 55 LYS H H 9.1730 0.02 1 556 51 55 LYS HA H 4.3000 0.02 1 557 51 55 LYS HB2 H 1.4770 0.02 2 558 51 55 LYS HB3 H 1.4770 0.02 2 559 51 55 LYS HG2 H 1.2910 0.02 2 560 51 55 LYS HG3 H 1.2910 0.02 2 561 51 55 LYS HD2 H 1.4560 0.02 2 562 51 55 LYS HD3 H 1.5890 0.02 2 563 51 55 LYS HE2 H 2.9320 0.02 2 564 51 55 LYS HE3 H 2.9320 0.02 2 565 51 55 LYS C C 176.0680 0.3 1 566 51 55 LYS CA C 57.4380 0.3 1 567 51 55 LYS CB C 33.9980 0.3 1 568 51 55 LYS CG C 24.8150 0.3 1 569 51 55 LYS CD C 29.7140 0.3 1 570 51 55 LYS CE C 42.1110 0.3 1 571 51 55 LYS N N 131.1490 0.2 1 572 52 56 ASP H H 7.7670 0.02 1 573 52 56 ASP HA H 4.4820 0.02 1 574 52 56 ASP HB2 H 2.6210 0.02 2 575 52 56 ASP HB3 H 2.9830 0.02 2 576 52 56 ASP C C 172.8900 0.3 1 577 52 56 ASP CA C 53.4000 0.3 1 578 52 56 ASP CB C 42.1910 0.3 1 579 52 56 ASP N N 112.1690 0.2 1 580 53 57 VAL H H 8.1230 0.02 1 581 53 57 VAL HA H 4.7480 0.02 1 582 53 57 VAL HB H 2.0460 0.02 1 583 53 57 VAL HG1 H 0.7390 0.02 2 584 53 57 VAL HG2 H 0.7960 0.02 2 585 53 57 VAL C C 174.5800 0.3 1 586 53 57 VAL CA C 62.2160 0.3 1 587 53 57 VAL CB C 33.9720 0.3 1 588 53 57 VAL CG1 C 20.9860 0.3 2 589 53 57 VAL CG2 C 20.9860 0.3 2 590 53 57 VAL N N 117.6000 0.2 1 591 54 58 LEU H H 8.8110 0.02 1 592 54 58 LEU HA H 5.1360 0.02 1 593 54 58 LEU HB2 H 1.5450 0.02 2 594 54 58 LEU HB3 H 1.6400 0.02 2 595 54 58 LEU HG H 1.6390 0.02 1 596 54 58 LEU HD1 H 0.7980 0.02 2 597 54 58 LEU HD2 H 0.8860 0.02 2 598 54 58 LEU CA C 50.8670 0.3 1 599 54 58 LEU CB C 44.2870 0.3 1 600 54 58 LEU CG C 25.9390 0.3 1 601 54 58 LEU CD1 C 25.9390 0.3 2 602 54 58 LEU CD2 C 22.9210 0.3 2 603 54 58 LEU N N 126.6510 0.2 1 604 55 59 PRO HA H 4.0350 0.02 1 605 55 59 PRO HB2 H 0.1160 0.02 2 606 55 59 PRO HB3 H 0.9290 0.02 2 607 55 59 PRO HG2 H 1.7180 0.02 2 608 55 59 PRO HG3 H 1.8540 0.02 2 609 55 59 PRO HD2 H 3.6520 0.02 2 610 55 59 PRO HD3 H 3.8420 0.02 2 611 55 59 PRO C C 175.8770 0.3 1 612 55 59 PRO CA C 61.5330 0.3 1 613 55 59 PRO CB C 29.9940 0.3 1 614 55 59 PRO CG C 25.8550 0.3 1 615 55 59 PRO CD C 49.8110 0.3 1 616 56 60 ASN H H 7.5830 0.02 1 617 56 60 ASN HA H 4.9580 0.02 1 618 56 60 ASN HB2 H 2.0840 0.02 2 619 56 60 ASN HB3 H 3.2400 0.02 2 620 56 60 ASN HD21 H 7.3520 0.02 2 621 56 60 ASN HD22 H 8.8220 0.02 2 622 56 60 ASN C C 177.2390 0.3 1 623 56 60 ASN CA C 51.3620 0.3 1 624 56 60 ASN CB C 37.1590 0.3 1 625 56 60 ASN N N 117.0100 0.2 1 626 56 60 ASN ND2 N 114.0620 0.2 1 627 57 61 THR H H 8.5810 0.02 1 628 57 61 THR HA H 4.5590 0.02 1 629 57 61 THR HB H 4.5730 0.02 1 630 57 61 THR HG2 H 1.1950 0.02 1 631 57 61 THR C C 174.7130 0.3 1 632 57 61 THR CA C 64.0010 0.3 1 633 57 61 THR CB C 67.8790 0.3 1 634 57 61 THR CG2 C 21.7890 0.3 1 635 57 61 THR N N 119.5640 0.2 1 636 58 62 ASP H H 7.6030 0.02 1 637 58 62 ASP HA H 4.4550 0.02 1 638 58 62 ASP HB2 H 2.6990 0.02 2 639 58 62 ASP HB3 H 2.6540 0.02 2 640 58 62 ASP C C 175.8710 0.3 1 641 58 62 ASP CA C 56.4480 0.3 1 642 58 62 ASP CB C 40.0420 0.3 1 643 58 62 ASP N N 119.5580 0.2 1 644 59 63 LEU H H 7.0650 0.02 1 645 59 63 LEU HA H 4.3610 0.02 1 646 59 63 LEU HB2 H 1.6140 0.02 2 647 59 63 LEU HB3 H 1.3250 0.02 2 648 59 63 LEU HG H 1.4630 0.02 1 649 59 63 LEU HD1 H 0.5470 0.02 2 650 59 63 LEU HD2 H 0.7100 0.02 2 651 59 63 LEU C C 175.7860 0.3 1 652 59 63 LEU CA C 56.5000 0.3 1 653 59 63 LEU CB C 45.9050 0.3 1 654 59 63 LEU CG C 28.9830 0.3 1 655 59 63 LEU CD1 C 24.9090 0.3 2 656 59 63 LEU CD2 C 23.6680 0.3 2 657 59 63 LEU N N 119.4670 0.2 1 658 60 64 VAL H H 8.3630 0.02 1 659 60 64 VAL HA H 3.6260 0.02 1 660 60 64 VAL HB H 1.5910 0.02 1 661 60 64 VAL HG1 H 0.8280 0.02 2 662 60 64 VAL HG2 H 0.7440 0.02 2 663 60 64 VAL C C 174.0420 0.3 1 664 60 64 VAL CA C 62.0920 0.3 1 665 60 64 VAL CB C 31.1850 0.3 1 666 60 64 VAL CG1 C 21.5200 0.3 2 667 60 64 VAL CG2 C 21.5200 0.3 2 668 60 64 VAL N N 120.2190 0.2 1 669 61 65 LYS H H 8.5930 0.02 1 670 61 65 LYS HA H 4.5380 0.02 1 671 61 65 LYS HB2 H 1.7540 0.02 2 672 61 65 LYS HB3 H 1.8130 0.02 2 673 61 65 LYS HG2 H 1.3800 0.02 2 674 61 65 LYS HG3 H 1.4810 0.02 2 675 61 65 LYS HD2 H 1.6800 0.02 2 676 61 65 LYS HD3 H 1.5820 0.02 2 677 61 65 LYS HE2 H 2.8870 0.02 2 678 61 65 LYS HE3 H 2.9940 0.02 2 679 61 65 LYS C C 176.9190 0.3 1 680 61 65 LYS CA C 53.4950 0.3 1 681 61 65 LYS CB C 33.7000 0.3 1 682 61 65 LYS CG C 24.6860 0.3 1 683 61 65 LYS CD C 28.1470 0.3 1 684 61 65 LYS CE C 42.6660 0.3 1 685 61 65 LYS N N 124.5930 0.2 1 686 62 66 ASP H H 8.8360 0.02 1 687 62 66 ASP HA H 4.3530 0.02 1 688 62 66 ASP HB2 H 1.2020 0.02 2 689 62 66 ASP HB3 H 3.0250 0.02 2 690 62 66 ASP C C 177.5850 0.3 1 691 62 66 ASP CA C 53.6880 0.3 1 692 62 66 ASP CB C 38.1910 0.3 1 693 62 66 ASP N N 117.1210 0.2 1 694 63 67 THR H H 7.9930 0.02 1 695 63 67 THR HA H 4.3210 0.02 1 696 63 67 THR HB H 4.3960 0.02 1 697 63 67 THR HG2 H 1.0470 0.02 1 698 63 67 THR C C 178.0530 0.3 1 699 63 67 THR CA C 64.4700 0.3 1 700 63 67 THR CB C 68.6900 0.3 1 701 63 67 THR CG2 C 22.7240 0.3 1 702 63 67 THR N N 109.2570 0.2 1 703 64 68 ASP H H 9.0090 0.02 1 704 64 68 ASP HA H 4.3900 0.02 1 705 64 68 ASP HB2 H 2.5460 0.02 2 706 64 68 ASP HB3 H 2.6510 0.02 2 707 64 68 ASP C C 175.7220 0.3 1 708 64 68 ASP CA C 55.4560 0.3 1 709 64 68 ASP CB C 39.4480 0.3 1 710 64 68 ASP N N 121.7600 0.2 1 711 65 69 ASN H H 7.5150 0.02 1 712 65 69 ASN HA H 4.7470 0.02 1 713 65 69 ASN HB2 H 2.2430 0.02 2 714 65 69 ASN HB3 H 2.8940 0.02 2 715 65 69 ASN HD21 H 7.4950 0.02 2 716 65 69 ASN HD22 H 6.9080 0.02 2 717 65 69 ASN C C 173.9540 0.3 1 718 65 69 ASN CA C 52.6550 0.3 1 719 65 69 ASN CB C 38.7310 0.3 1 720 65 69 ASN N N 116.8890 0.2 1 721 65 69 ASN ND2 N 114.6170 0.2 1 722 66 70 TYR H H 7.2620 0.02 1 723 66 70 TYR HA H 4.3540 0.02 1 724 66 70 TYR HB2 H 3.1650 0.02 2 725 66 70 TYR HB3 H 3.1650 0.02 2 726 66 70 TYR HD1 H 7.0630 0.02 3 727 66 70 TYR HE1 H 6.9110 0.02 3 728 66 70 TYR C C 174.9710 0.3 1 729 66 70 TYR CA C 59.3930 0.3 1 730 66 70 TYR CB C 33.9980 0.3 1 731 66 70 TYR CD1 C 133.2800 0.3 3 732 66 70 TYR CE1 C 118.2790 0.3 3 733 66 70 TYR N N 110.2360 0.2 1 734 67 71 SER H H 7.1230 0.02 1 735 67 71 SER HA H 4.7540 0.02 1 736 67 71 SER HB2 H 3.6640 0.02 2 737 67 71 SER HB3 H 3.6640 0.02 2 738 67 71 SER C C 174.5990 0.3 1 739 67 71 SER CA C 58.6000 0.3 1 740 67 71 SER CB C 64.9400 0.3 1 741 67 71 SER N N 111.5580 0.2 1 742 68 72 PHE H H 8.1560 0.02 1 743 68 72 PHE HA H 5.4930 0.02 1 744 68 72 PHE HB2 H 2.7000 0.02 2 745 68 72 PHE HB3 H 3.2450 0.02 2 746 68 72 PHE HD1 H 7.2760 0.02 3 747 68 72 PHE HD2 H 7.2760 0.02 3 748 68 72 PHE HE1 H 6.8910 0.02 3 749 68 72 PHE HE2 H 6.8910 0.02 3 750 68 72 PHE HZ H 7.0630 0.02 1 751 68 72 PHE C C 173.8940 0.3 1 752 68 72 PHE CA C 57.6000 0.3 1 753 68 72 PHE CB C 41.9520 0.3 1 754 68 72 PHE CD1 C 132.1550 0.3 3 755 68 72 PHE CD2 C 132.1550 0.3 3 756 68 72 PHE CE1 C 130.8500 0.3 3 757 68 72 PHE CE2 C 130.8500 0.3 3 758 68 72 PHE CZ C 132.9050 0.3 1 759 68 72 PHE N N 122.6810 0.2 1 760 69 73 ILE H H 8.9020 0.02 1 761 69 73 ILE HA H 4.3530 0.02 1 762 69 73 ILE HB H 1.6650 0.02 1 763 69 73 ILE HG12 H 1.0750 0.02 2 764 69 73 ILE HG13 H 1.3930 0.02 2 765 69 73 ILE HG2 H 0.4120 0.02 1 766 69 73 ILE HD1 H 0.8480 0.02 1 767 69 73 ILE C C 174.6230 0.3 1 768 69 73 ILE CA C 59.9980 0.3 1 769 69 73 ILE CB C 40.5610 0.3 1 770 69 73 ILE CG1 C 26.8040 0.3 1 771 69 73 ILE CG2 C 17.5720 0.3 1 772 69 73 ILE CD1 C 13.0580 0.3 1 773 69 73 ILE N N 129.0570 0.2 1 774 70 74 VAL H H 8.6570 0.02 1 775 70 74 VAL HA H 4.8820 0.02 1 776 70 74 VAL HB H 1.9160 0.02 1 777 70 74 VAL HG1 H 0.8220 0.02 2 778 70 74 VAL HG2 H 0.7530 0.02 2 779 70 74 VAL C C 175.0620 0.3 1 780 70 74 VAL CA C 59.5880 0.3 1 781 70 74 VAL CB C 34.6010 0.3 1 782 70 74 VAL CG1 C 21.9440 0.3 2 783 70 74 VAL CG2 C 21.9440 0.3 2 784 70 74 VAL N N 126.0190 0.2 1 785 71 75 ASN H H 9.1200 0.02 1 786 71 75 ASN HA H 5.2630 0.02 1 787 71 75 ASN HB2 H 2.7290 0.02 2 788 71 75 ASN HB3 H 3.0270 0.02 2 789 71 75 ASN HD21 H 7.7860 0.02 2 790 71 75 ASN HD22 H 7.0880 0.02 2 791 71 75 ASN C C 176.5520 0.3 1 792 71 75 ASN CA C 52.4780 0.3 1 793 71 75 ASN CB C 40.7950 0.3 1 794 71 75 ASN N N 125.0240 0.2 1 795 71 75 ASN ND2 N 113.5050 0.2 1 796 72 76 THR H H 9.3830 0.02 1 797 72 76 THR HA H 4.9110 0.02 1 798 72 76 THR HB H 4.7850 0.02 1 799 72 76 THR C C 175.6210 0.3 1 800 72 76 THR CA C 60.6840 0.3 1 801 72 76 THR CB C 68.2190 0.3 1 802 72 76 THR N N 118.4280 0.2 1 803 73 77 SER H H 8.4480 0.02 1 804 73 77 SER HA H 4.2740 0.02 1 805 73 77 SER HB2 H 4.0700 0.02 2 806 73 77 SER HB3 H 4.0700 0.02 2 807 73 77 SER C C 174.9820 0.3 1 808 73 77 SER CA C 61.5860 0.3 1 809 73 77 SER CB C 63.7710 0.3 1 810 73 77 SER N N 118.9540 0.2 1 811 74 78 THR H H 8.9570 0.02 1 812 74 78 THR HA H 4.6960 0.02 1 813 74 78 THR HB H 4.1300 0.02 1 814 74 78 THR HG2 H 1.1540 0.02 1 815 74 78 THR C C 171.8810 0.3 1 816 74 78 THR CA C 60.3230 0.3 1 817 74 78 THR CB C 69.5240 0.3 1 818 74 78 THR CG2 C 20.1930 0.3 1 819 74 78 THR N N 122.1890 0.2 1 820 75 79 PRO HA H 4.3410 0.02 1 821 75 79 PRO HB2 H 1.8720 0.02 2 822 75 79 PRO HB3 H 2.3900 0.02 2 823 75 79 PRO HG2 H 2.1750 0.02 2 824 75 79 PRO HG3 H 2.1750 0.02 2 825 75 79 PRO HD2 H 3.7670 0.02 2 826 75 79 PRO HD3 H 4.2440 0.02 2 827 75 79 PRO C C 178.0200 0.3 1 828 75 79 PRO CA C 63.8610 0.3 1 829 75 79 PRO CB C 31.7410 0.3 1 830 75 79 PRO CG C 27.7060 0.3 1 831 75 79 PRO CD C 51.2320 0.3 1 832 76 80 GLY H H 7.3990 0.02 1 833 76 80 GLY HA2 H 4.1350 0.02 2 834 76 80 GLY HA3 H 3.9920 0.02 2 835 76 80 GLY C C 173.1590 0.3 1 836 76 80 GLY CA C 45.2490 0.3 1 837 76 80 GLY N N 110.0780 0.2 1 838 77 81 LYS H H 8.1290 0.02 1 839 77 81 LYS HA H 5.2770 0.02 1 840 77 81 LYS HB2 H 1.6150 0.02 2 841 77 81 LYS HB3 H 1.6530 0.02 2 842 77 81 LYS HG2 H 1.1900 0.02 2 843 77 81 LYS HG3 H 1.2950 0.02 2 844 77 81 LYS HD2 H 1.5700 0.02 2 845 77 81 LYS HD3 H 1.5700 0.02 2 846 77 81 LYS HE2 H 2.8070 0.02 2 847 77 81 LYS HE3 H 2.8070 0.02 2 848 77 81 LYS C C 176.0020 0.3 1 849 77 81 LYS CA C 55.6120 0.3 1 850 77 81 LYS CB C 35.8640 0.3 1 851 77 81 LYS CG C 24.7930 0.3 1 852 77 81 LYS CD C 29.3220 0.3 1 853 77 81 LYS CE C 41.6200 0.3 1 854 77 81 LYS N N 121.0120 0.2 1 855 78 82 ILE H H 9.7800 0.02 1 856 78 82 ILE HA H 4.5500 0.02 1 857 78 82 ILE HB H 1.8990 0.02 1 858 78 82 ILE HG12 H 0.9670 0.02 2 859 78 82 ILE HG13 H 0.9670 0.02 2 860 78 82 ILE HG2 H 0.7880 0.02 1 861 78 82 ILE HD1 H 0.6730 0.02 1 862 78 82 ILE C C 174.7740 0.3 1 863 78 82 ILE CA C 60.6700 0.3 1 864 78 82 ILE CB C 41.7570 0.3 1 865 78 82 ILE CG1 C 27.9030 0.3 1 866 78 82 ILE CG2 C 17.7810 0.3 1 867 78 82 ILE CD1 C 15.5850 0.3 1 868 78 82 ILE N N 129.1830 0.2 1 869 79 83 SER H H 8.5650 0.02 1 870 79 83 SER HA H 5.7510 0.02 1 871 79 83 SER HB2 H 3.7050 0.02 2 872 79 83 SER HB3 H 4.0260 0.02 2 873 79 83 SER C C 173.8720 0.3 1 874 79 83 SER CA C 57.4740 0.3 1 875 79 83 SER CB C 64.6380 0.3 1 876 79 83 SER N N 123.0990 0.2 1 877 80 84 ILE H H 9.2410 0.02 1 878 80 84 ILE HA H 4.3730 0.02 1 879 80 84 ILE HB H 1.4640 0.02 1 880 80 84 ILE HG12 H 0.6790 0.02 2 881 80 84 ILE HG13 H 0.6790 0.02 2 882 80 84 ILE HG2 H 0.4080 0.02 1 883 80 84 ILE HD1 H 0.6760 0.02 1 884 80 84 ILE C C 174.6560 0.3 1 885 80 84 ILE CA C 61.0750 0.3 1 886 80 84 ILE CB C 42.0050 0.3 1 887 80 84 ILE CG1 C 28.0530 0.3 1 888 80 84 ILE CG2 C 17.0640 0.3 1 889 80 84 ILE CD1 C 13.7470 0.3 1 890 80 84 ILE N N 126.6520 0.2 1 891 81 85 THR H H 8.6250 0.02 1 892 81 85 THR HA H 5.4260 0.02 1 893 81 85 THR HB H 3.8740 0.02 1 894 81 85 THR HG2 H 1.0710 0.02 1 895 81 85 THR C C 173.6570 0.3 1 896 81 85 THR CA C 61.5000 0.3 1 897 81 85 THR CB C 71.7550 0.3 1 898 81 85 THR CG2 C 20.7260 0.3 1 899 81 85 THR N N 123.1290 0.2 1 900 82 86 PHE H H 9.8110 0.02 1 901 82 86 PHE HA H 6.0050 0.02 1 902 82 86 PHE HB2 H 2.8060 0.02 2 903 82 86 PHE HB3 H 3.0360 0.02 2 904 82 86 PHE HD1 H 7.2720 0.02 3 905 82 86 PHE HD2 H 7.2720 0.02 3 906 82 86 PHE HE1 H 6.8910 0.02 3 907 82 86 PHE HE2 H 6.8910 0.02 3 908 82 86 PHE HZ H 6.6450 0.02 1 909 82 86 PHE C C 174.3670 0.3 1 910 82 86 PHE CA C 55.0110 0.3 1 911 82 86 PHE CB C 41.9670 0.3 1 912 82 86 PHE CD1 C 132.2600 0.3 3 913 82 86 PHE CD2 C 132.2600 0.3 3 914 82 86 PHE CE1 C 130.8940 0.3 3 915 82 86 PHE CE2 C 130.8940 0.3 3 916 82 86 PHE CZ C 128.1530 0.3 1 917 82 86 PHE N N 128.0170 0.2 1 918 83 87 THR H H 8.7970 0.02 1 919 83 87 THR HA H 4.4350 0.02 1 920 83 87 THR HB H 3.7420 0.02 1 921 83 87 THR HG2 H 0.9720 0.02 1 922 83 87 THR C C 171.0990 0.3 1 923 83 87 THR CA C 59.2600 0.3 1 924 83 87 THR CB C 71.6740 0.3 1 925 83 87 THR CG2 C 19.4430 0.3 1 926 83 87 THR N N 124.0740 0.2 1 927 84 88 ASP H H 7.3990 0.02 1 928 84 88 ASP HA H 4.8460 0.02 1 929 84 88 ASP HB2 H 2.6980 0.02 2 930 84 88 ASP HB3 H 3.3780 0.02 2 931 84 88 ASP C C 176.8340 0.3 1 932 84 88 ASP CA C 50.3590 0.3 1 933 84 88 ASP CB C 40.4900 0.3 1 934 84 88 ASP N N 122.1510 0.2 1 935 85 89 PRO HA H 4.4260 0.02 1 936 85 89 PRO HB2 H 1.9350 0.02 2 937 85 89 PRO HB3 H 2.5040 0.02 2 938 85 89 PRO HG2 H 1.7770 0.02 2 939 85 89 PRO HG3 H 1.7770 0.02 2 940 85 89 PRO HD2 H 3.7670 0.02 2 941 85 89 PRO HD3 H 4.1180 0.02 2 942 85 89 PRO C C 177.9460 0.3 1 943 85 89 PRO CA C 64.0320 0.3 1 944 85 89 PRO CB C 32.6860 0.3 1 945 85 89 PRO CG C 27.6780 0.3 1 946 85 89 PRO CD C 51.2770 0.3 1 947 86 90 THR H H 8.2740 0.02 1 948 86 90 THR HA H 4.3820 0.02 1 949 86 90 THR HB H 4.4460 0.02 1 950 86 90 THR HG2 H 1.4960 0.02 1 951 86 90 THR C C 174.5060 0.3 1 952 86 90 THR CA C 61.6740 0.3 1 953 86 90 THR CB C 71.5920 0.3 1 954 86 90 THR CG2 C 22.8850 0.3 1 955 86 90 THR N N 106.7450 0.2 1 956 87 91 LEU H H 7.7850 0.02 1 957 87 91 LEU HA H 4.1430 0.02 1 958 87 91 LEU HB2 H 1.7440 0.02 2 959 87 91 LEU HB3 H 1.8780 0.02 2 960 87 91 LEU HG H 1.5390 0.02 1 961 87 91 LEU HD1 H 0.8970 0.02 2 962 87 91 LEU HD2 H 0.9240 0.02 2 963 87 91 LEU C C 175.7770 0.3 1 964 87 91 LEU CA C 56.3770 0.3 1 965 87 91 LEU CB C 39.2780 0.3 1 966 87 91 LEU CG C 26.9890 0.3 1 967 87 91 LEU CD1 C 25.6520 0.3 2 968 87 91 LEU CD2 C 23.1570 0.3 2 969 87 91 LEU N N 117.6830 0.2 1 970 88 92 ALA H H 7.5550 0.02 1 971 88 92 ALA HA H 4.0590 0.02 1 972 88 92 ALA HB H 1.2620 0.02 1 973 88 92 ALA C C 177.1480 0.3 1 974 88 92 ALA CA C 56.0320 0.3 1 975 88 92 ALA CB C 21.8090 0.3 1 976 88 92 ALA N N 114.6620 0.2 1 977 89 93 ASN H H 8.5730 0.02 1 978 89 93 ASN HA H 4.3840 0.02 1 979 89 93 ASN HB2 H 2.0810 0.02 2 980 89 93 ASN HB3 H 2.1920 0.02 2 981 89 93 ASN HD21 H 6.9770 0.02 2 982 89 93 ASN HD22 H 6.9030 0.02 2 983 89 93 ASN C C 175.2260 0.3 1 984 89 93 ASN CA C 55.2810 0.3 1 985 89 93 ASN CB C 39.1560 0.3 1 986 89 93 ASN N N 115.8700 0.2 1 987 89 93 ASN ND2 N 110.7700 0.2 1 988 90 94 TYR H H 9.1470 0.02 1 989 90 94 TYR HA H 5.1570 0.02 1 990 90 94 TYR HB2 H 2.8160 0.02 2 991 90 94 TYR HB3 H 3.2830 0.02 2 992 90 94 TYR HD1 H 7.1810 0.02 3 993 90 94 TYR HD2 H 7.1810 0.02 3 994 90 94 TYR HE1 H 6.7920 0.02 3 995 90 94 TYR HE2 H 6.7920 0.02 3 996 90 94 TYR CA C 55.2280 0.3 1 997 90 94 TYR CB C 38.7990 0.3 1 998 90 94 TYR CD1 C 134.4060 0.3 3 999 90 94 TYR CD2 C 134.4060 0.3 3 1000 90 94 TYR CE1 C 117.5850 0.3 3 1001 90 94 TYR CE2 C 117.5850 0.3 3 1002 90 94 TYR N N 120.3910 0.2 1 1003 91 95 PRO HA H 4.9690 0.02 1 1004 91 95 PRO HB2 H 2.0030 0.02 2 1005 91 95 PRO HB3 H 2.3520 0.02 2 1006 91 95 PRO HG2 H 2.0530 0.02 2 1007 91 95 PRO HG3 H 2.0530 0.02 2 1008 91 95 PRO HD2 H 3.6940 0.02 2 1009 91 95 PRO HD3 H 3.8410 0.02 2 1010 91 95 PRO C C 178.4220 0.3 1 1011 91 95 PRO CA C 63.1440 0.3 1 1012 91 95 PRO CB C 32.1220 0.3 1 1013 91 95 PRO CG C 27.4570 0.3 1 1014 91 95 PRO CD C 50.5710 0.3 1 1015 92 96 ILE H H 8.8260 0.02 1 1016 92 96 ILE HA H 4.1620 0.02 1 1017 92 96 ILE HB H 1.4870 0.02 1 1018 92 96 ILE HG12 H 0.6280 0.02 2 1019 92 96 ILE HG13 H 1.1450 0.02 2 1020 92 96 ILE HG2 H 0.8940 0.02 1 1021 92 96 ILE HD1 H -0.0880 0.02 1 1022 92 96 ILE C C 175.0990 0.3 1 1023 92 96 ILE CA C 62.1260 0.3 1 1024 92 96 ILE CB C 38.6860 0.3 1 1025 92 96 ILE CG1 C 27.7750 0.3 1 1026 92 96 ILE CG2 C 17.5400 0.3 1 1027 92 96 ILE CD1 C 13.3090 0.3 1 1028 92 96 ILE N N 120.1090 0.2 1 1029 93 97 SER H H 9.0320 0.02 1 1030 93 97 SER HA H 4.6240 0.02 1 1031 93 97 SER HB2 H 3.6370 0.02 2 1032 93 97 SER HB3 H 3.9000 0.02 2 1033 93 97 SER C C 173.1210 0.3 1 1034 93 97 SER CA C 57.9170 0.3 1 1035 93 97 SER CB C 64.9390 0.3 1 1036 93 97 SER N N 121.0440 0.2 1 1037 94 98 VAL H H 7.2970 0.02 1 1038 94 98 VAL HA H 4.5220 0.02 1 1039 94 98 VAL HB H 2.1660 0.02 1 1040 94 98 VAL HG1 H 0.7680 0.02 2 1041 94 98 VAL HG2 H 0.8610 0.02 2 1042 94 98 VAL C C 171.4290 0.3 1 1043 94 98 VAL CA C 58.8530 0.3 1 1044 94 98 VAL CB C 35.7620 0.3 1 1045 94 98 VAL CG1 C 18.4330 0.3 2 1046 94 98 VAL CG2 C 21.4500 0.3 2 1047 94 98 VAL N N 116.2100 0.2 1 1048 95 99 ASP H H 7.4410 0.02 1 1049 95 99 ASP HA H 4.4360 0.02 1 1050 95 99 ASP HB2 H 2.8110 0.02 2 1051 95 99 ASP HB3 H 2.5790 0.02 2 1052 95 99 ASP C C 177.2190 0.3 1 1053 95 99 ASP CA C 53.6160 0.3 1 1054 95 99 ASP CB C 40.7450 0.3 1 1055 95 99 ASP N N 116.9220 0.2 1 1056 96 100 GLY H H 8.5280 0.02 1 1057 96 100 GLY HA2 H 3.9350 0.02 2 1058 96 100 GLY HA3 H 4.1500 0.02 2 1059 96 100 GLY C C 171.3760 0.3 1 1060 96 100 GLY CA C 45.7180 0.3 1 1061 96 100 GLY N N 106.0340 0.2 1 1062 97 101 ILE H H 8.6210 0.02 1 1063 97 101 ILE HA H 3.9060 0.02 1 1064 97 101 ILE HB H 1.4940 0.02 1 1065 97 101 ILE HG12 H 1.6310 0.02 2 1066 97 101 ILE HG13 H 0.8590 0.02 2 1067 97 101 ILE HG2 H 0.2430 0.02 1 1068 97 101 ILE HD1 H -0.0770 0.02 1 1069 97 101 ILE C C 174.8950 0.3 1 1070 97 101 ILE CA C 62.1910 0.3 1 1071 97 101 ILE CB C 39.1550 0.3 1 1072 97 101 ILE CG1 C 28.8530 0.3 1 1073 97 101 ILE CG2 C 17.3950 0.3 1 1074 97 101 ILE CD1 C 13.6240 0.3 1 1075 97 101 ILE N N 120.9280 0.2 1 1076 98 102 LEU H H 9.3360 0.02 1 1077 98 102 LEU HA H 4.1630 0.02 1 1078 98 102 LEU HB2 H 1.1580 0.02 2 1079 98 102 LEU HB3 H 1.3730 0.02 2 1080 98 102 LEU HG H 1.4500 0.02 1 1081 98 102 LEU HD1 H 0.6330 0.02 2 1082 98 102 LEU HD2 H 0.6950 0.02 2 1083 98 102 LEU C C 175.9930 0.3 1 1084 98 102 LEU CA C 56.3160 0.3 1 1085 98 102 LEU CB C 44.7800 0.3 1 1086 98 102 LEU CG C 24.8630 0.3 1 1087 98 102 LEU CD1 C 24.8630 0.3 2 1088 98 102 LEU CD2 C 26.3520 0.3 2 1089 98 102 LEU N N 128.0610 0.2 1 1090 99 103 ALA H H 7.4140 0.02 1 1091 99 103 ALA HA H 4.7250 0.02 1 1092 99 103 ALA HB H 1.0710 0.02 1 1093 99 103 ALA C C 173.2850 0.3 1 1094 99 103 ALA CA C 50.0580 0.3 1 1095 99 103 ALA CB C 22.9360 0.3 1 1096 99 103 ALA N N 115.0280 0.2 1 1097 100 104 TYR H H 8.9500 0.02 1 1098 100 104 TYR HA H 4.8810 0.02 1 1099 100 104 TYR HB2 H 2.5430 0.02 2 1100 100 104 TYR HB3 H 2.5430 0.02 2 1101 100 104 TYR HD1 H 6.7330 0.02 3 1102 100 104 TYR HD2 H 6.7330 0.02 3 1103 100 104 TYR HE1 H 6.6730 0.02 3 1104 100 104 TYR HE2 H 6.6730 0.02 3 1105 100 104 TYR C C 174.3070 0.3 1 1106 100 104 TYR CA C 56.5720 0.3 1 1107 100 104 TYR CB C 41.1590 0.3 1 1108 100 104 TYR CD1 C 133.2800 0.3 3 1109 100 104 TYR CD2 C 133.2800 0.3 3 1110 100 104 TYR CE1 C 117.5290 0.3 3 1111 100 104 TYR CE2 C 117.5290 0.3 3 1112 100 104 TYR N N 115.5620 0.2 1 1113 101 105 LEU H H 9.3320 0.02 1 1114 101 105 LEU HA H 4.4810 0.02 1 1115 101 105 LEU HB2 H 0.8260 0.02 2 1116 101 105 LEU HB3 H 0.8260 0.02 2 1117 101 105 LEU HG H 1.8270 0.02 1 1118 101 105 LEU HD1 H 0.6990 0.02 2 1119 101 105 LEU HD2 H 0.8110 0.02 2 1120 101 105 LEU C C 174.8180 0.3 1 1121 101 105 LEU CA C 52.7800 0.3 1 1122 101 105 LEU CB C 41.9670 0.3 1 1123 101 105 LEU CG C 26.7110 0.3 1 1124 101 105 LEU CD1 C 24.4370 0.3 2 1125 101 105 LEU CD2 C 25.3410 0.3 2 1126 101 105 LEU N N 121.5370 0.2 1 1127 102 106 ASP H H 8.3420 0.02 1 1128 102 106 ASP HA H 5.8870 0.02 1 1129 102 106 ASP HB2 H 2.1680 0.02 2 1130 102 106 ASP HB3 H 2.8810 0.02 2 1131 102 106 ASP C C 174.6120 0.3 1 1132 102 106 ASP CA C 52.7150 0.3 1 1133 102 106 ASP CB C 39.7100 0.3 1 1134 102 106 ASP N N 123.0350 0.2 1 1135 103 107 PHE H H 9.1870 0.02 1 1136 103 107 PHE HA H 5.2000 0.02 1 1137 103 107 PHE HB2 H 2.4370 0.02 2 1138 103 107 PHE HB3 H 2.5990 0.02 2 1139 103 107 PHE HD1 H 6.5440 0.02 3 1140 103 107 PHE HD2 H 6.5440 0.02 3 1141 103 107 PHE HE1 H 6.0940 0.02 3 1142 103 107 PHE HE2 H 6.0940 0.02 3 1143 103 107 PHE HZ H 6.3670 0.02 1 1144 103 107 PHE C C 174.6070 0.3 1 1145 103 107 PHE CA C 56.4740 0.3 1 1146 103 107 PHE CB C 43.1900 0.3 1 1147 103 107 PHE CD1 C 131.0300 0.3 3 1148 103 107 PHE CD2 C 131.0300 0.3 3 1149 103 107 PHE CE1 C 130.8120 0.3 3 1150 103 107 PHE CE2 C 130.8120 0.3 3 1151 103 107 PHE CZ C 128.0700 0.3 1 1152 103 107 PHE N N 121.7340 0.2 1 1153 104 108 ILE H H 9.4740 0.02 1 1154 104 108 ILE HA H 4.6550 0.02 1 1155 104 108 ILE HB H 1.6830 0.02 1 1156 104 108 ILE HG12 H 1.1440 0.02 2 1157 104 108 ILE HG13 H 1.4860 0.02 2 1158 104 108 ILE HG2 H 0.7920 0.02 1 1159 104 108 ILE HD1 H 0.8250 0.02 1 1160 104 108 ILE C C 176.9990 0.3 1 1161 104 108 ILE CA C 60.8220 0.3 1 1162 104 108 ILE CB C 40.3260 0.3 1 1163 104 108 ILE CG1 C 28.0340 0.3 1 1164 104 108 ILE CG2 C 17.5830 0.3 1 1165 104 108 ILE CD1 C 14.0150 0.3 1 1166 104 108 ILE N N 120.9880 0.2 1 1167 105 109 ILE H H 9.2100 0.02 1 1168 105 109 ILE HA H 4.4870 0.02 1 1169 105 109 ILE HB H 2.2030 0.02 1 1170 105 109 ILE HG12 H 1.9430 0.02 2 1171 105 109 ILE HG13 H 1.9430 0.02 2 1172 105 109 ILE HG2 H 1.0780 0.02 1 1173 105 109 ILE HD1 H 0.7380 0.02 1 1174 105 109 ILE C C 176.4620 0.3 1 1175 105 109 ILE CA C 62.1970 0.3 1 1176 105 109 ILE CB C 36.6260 0.3 1 1177 105 109 ILE CG1 C 26.8840 0.3 1 1178 105 109 ILE CG2 C 18.1460 0.3 1 1179 105 109 ILE CD1 C 13.1560 0.3 1 1180 105 109 ILE N N 128.7760 0.2 1 1181 106 110 ASN H H 9.1240 0.02 1 1182 106 110 ASN HA H 4.4100 0.02 1 1183 106 110 ASN HB2 H 2.6660 0.02 2 1184 106 110 ASN HB3 H 2.8580 0.02 2 1185 106 110 ASN HD21 H 6.9490 0.02 2 1186 106 110 ASN HD22 H 6.6760 0.02 2 1187 106 110 ASN C C 177.4310 0.3 1 1188 106 110 ASN CA C 54.3660 0.3 1 1189 106 110 ASN CB C 38.0750 0.3 1 1190 106 110 ASN N N 130.5640 0.2 1 1191 106 110 ASN ND2 N 110.6520 0.2 1 1192 107 111 SER H H 8.8680 0.02 1 1193 107 111 SER HA H 3.8860 0.02 1 1194 107 111 SER HB2 H 3.6320 0.02 2 1195 107 111 SER HB3 H 3.6320 0.02 2 1196 107 111 SER C C 173.9740 0.3 1 1197 107 111 SER CA C 62.4690 0.3 1 1198 107 111 SER CB C 62.6800 0.3 1 1199 107 111 SER N N 118.8010 0.2 1 1200 108 112 ASN H H 8.3390 0.02 1 1201 108 112 ASN HA H 4.7760 0.02 1 1202 108 112 ASN HB2 H 2.7420 0.02 2 1203 108 112 ASN HB3 H 2.9280 0.02 2 1204 108 112 ASN HD21 H 7.5430 0.02 2 1205 108 112 ASN HD22 H 6.9110 0.02 2 1206 108 112 ASN C C 175.3890 0.3 1 1207 108 112 ASN CA C 51.8600 0.3 1 1208 108 112 ASN CB C 38.1560 0.3 1 1209 108 112 ASN N N 116.6790 0.2 1 1210 108 112 ASN ND2 N 112.2240 0.2 1 1211 109 113 ALA H H 7.5180 0.02 1 1212 109 113 ALA HA H 4.1880 0.02 1 1213 109 113 ALA HB H 1.3150 0.02 1 1214 109 113 ALA C C 177.0320 0.3 1 1215 109 113 ALA CA C 53.3300 0.3 1 1216 109 113 ALA CB C 19.6770 0.3 1 1217 109 113 ALA N N 123.0940 0.2 1 1218 110 114 THR H H 7.6840 0.02 1 1219 110 114 THR HA H 4.1960 0.02 1 1220 110 114 THR HB H 4.2270 0.02 1 1221 110 114 THR HG2 H 1.2970 0.02 1 1222 110 114 THR C C 174.0170 0.3 1 1223 110 114 THR CA C 60.8460 0.3 1 1224 110 114 THR CB C 69.9880 0.3 1 1225 110 114 THR CG2 C 21.7460 0.3 1 1226 110 114 THR N N 113.8830 0.2 1 1227 111 115 ALA H H 8.1860 0.02 1 1228 111 115 ALA HA H 3.9560 0.02 1 1229 111 115 ALA HB H 1.3040 0.02 1 1230 111 115 ALA C C 178.2410 0.3 1 1231 111 115 ALA CA C 52.6810 0.3 1 1232 111 115 ALA CB C 19.6060 0.3 1 1233 111 115 ALA N N 123.5300 0.2 1 1234 112 116 GLY H H 8.8820 0.02 1 1235 112 116 GLY HA2 H 3.8610 0.02 2 1236 112 116 GLY HA3 H 4.7260 0.02 2 1237 112 116 GLY C C 174.9680 0.3 1 1238 112 116 GLY CA C 43.9910 0.3 1 1239 112 116 GLY N N 108.4850 0.2 1 1240 113 117 ASP H H 8.9730 0.02 1 1241 113 117 ASP HA H 4.9730 0.02 1 1242 113 117 ASP HB2 H 2.3900 0.02 2 1243 113 117 ASP HB3 H 2.6890 0.02 2 1244 113 117 ASP C C 176.8450 0.3 1 1245 113 117 ASP CA C 55.0570 0.3 1 1246 113 117 ASP CB C 42.2790 0.3 1 1247 113 117 ASP N N 122.8840 0.2 1 1248 114 118 SER H H 8.7830 0.02 1 1249 114 118 SER HA H 4.6860 0.02 1 1250 114 118 SER HB2 H 3.6880 0.02 2 1251 114 118 SER HB3 H 4.2110 0.02 2 1252 114 118 SER C C 173.6630 0.3 1 1253 114 118 SER CA C 57.8740 0.3 1 1254 114 118 SER CB C 64.2930 0.3 1 1255 114 118 SER N N 117.1600 0.2 1 1256 115 119 ALA H H 8.6960 0.02 1 1257 115 119 ALA HA H 4.3960 0.02 1 1258 115 119 ALA HB H 1.3780 0.02 1 1259 115 119 ALA C C 177.5350 0.3 1 1260 115 119 ALA CA C 53.0890 0.3 1 1261 115 119 ALA CB C 19.9970 0.3 1 1262 115 119 ALA N N 129.2130 0.2 1 1263 116 120 LEU H H 7.9340 0.02 1 1264 116 120 LEU HA H 5.2630 0.02 1 1265 116 120 LEU HB2 H 0.9690 0.02 2 1266 116 120 LEU HB3 H 1.4190 0.02 2 1267 116 120 LEU HG H 1.3510 0.02 1 1268 116 120 LEU HD1 H 0.6550 0.02 2 1269 116 120 LEU HD2 H 0.5400 0.02 2 1270 116 120 LEU C C 176.1670 0.3 1 1271 116 120 LEU CA C 53.4030 0.3 1 1272 116 120 LEU CB C 44.2090 0.3 1 1273 116 120 LEU CG C 27.0010 0.3 1 1274 116 120 LEU CD1 C 27.0010 0.3 2 1275 116 120 LEU CD2 C 24.6630 0.3 2 1276 116 120 LEU N N 124.9120 0.2 1 1277 117 121 THR H H 7.9790 0.02 1 1278 117 121 THR HA H 4.4400 0.02 1 1279 117 121 THR HB H 4.0540 0.02 1 1280 117 121 THR HG2 H 0.8500 0.02 1 1281 117 121 THR C C 174.0050 0.3 1 1282 117 121 THR CA C 61.2410 0.3 1 1283 117 121 THR CB C 70.1710 0.3 1 1284 117 121 THR CG2 C 22.7270 0.3 1 1285 117 121 THR N N 115.7700 0.2 1 1286 118 122 VAL H H 8.4460 0.02 1 1287 118 122 VAL HA H 4.7570 0.02 1 1288 118 122 VAL HB H 1.9210 0.02 1 1289 118 122 VAL HG1 H 0.8110 0.02 2 1290 118 122 VAL HG2 H 0.8110 0.02 2 1291 118 122 VAL C C 175.8130 0.3 1 1292 118 122 VAL CA C 60.6180 0.3 1 1293 118 122 VAL CB C 32.6070 0.3 1 1294 118 122 VAL CG1 C 21.8990 0.3 2 1295 118 122 VAL CG2 C 21.8990 0.3 2 1296 118 122 VAL N N 126.6370 0.2 1 1297 119 123 ASP H H 8.0340 0.02 1 1298 119 123 ASP HA H 4.7930 0.02 1 1299 119 123 ASP HB2 H 2.7640 0.02 2 1300 119 123 ASP HB3 H 2.7640 0.02 2 1301 119 123 ASP C C 176.0140 0.3 1 1302 119 123 ASP CA C 52.2490 0.3 1 1303 119 123 ASP CB C 41.5220 0.3 1 1304 119 123 ASP N N 128.7590 0.2 1 1305 120 124 PRO HA H 4.3140 0.02 1 1306 120 124 PRO HB2 H 2.0820 0.02 2 1307 120 124 PRO HB3 H 2.4130 0.02 2 1308 120 124 PRO HG2 H 2.1560 0.02 2 1309 120 124 PRO HG3 H 2.1560 0.02 2 1310 120 124 PRO HD2 H 4.4360 0.02 2 1311 120 124 PRO HD3 H 4.0510 0.02 2 1312 120 124 PRO C C 178.5970 0.3 1 1313 120 124 PRO CA C 64.2190 0.3 1 1314 120 124 PRO CB C 32.0460 0.3 1 1315 120 124 PRO CG C 27.4260 0.3 1 1316 120 124 PRO CD C 51.0350 0.3 1 1317 121 125 ALA H H 8.5440 0.02 1 1318 121 125 ALA HA H 4.2960 0.02 1 1319 121 125 ALA HB H 1.5200 0.02 1 1320 121 125 ALA C C 179.3290 0.3 1 1321 121 125 ALA CA C 54.1410 0.3 1 1322 121 125 ALA CB C 19.2600 0.3 1 1323 121 125 ALA N N 119.2000 0.2 1 1324 122 126 THR H H 6.8180 0.02 1 1325 122 126 THR HA H 4.4110 0.02 1 1326 122 126 THR HB H 4.4930 0.02 1 1327 122 126 THR HG2 H 1.0180 0.02 1 1328 122 126 THR C C 173.3050 0.3 1 1329 122 126 THR CA C 60.2510 0.3 1 1330 122 126 THR CB C 68.6900 0.3 1 1331 122 126 THR CG2 C 21.3530 0.3 1 1332 122 126 THR N N 104.0570 0.2 1 1333 123 127 LEU H H 6.4210 0.02 1 1334 123 127 LEU HA H 4.7580 0.02 1 1335 123 127 LEU HB2 H 1.7760 0.02 2 1336 123 127 LEU HB3 H 1.4870 0.02 2 1337 123 127 LEU HG H 1.3930 0.02 1 1338 123 127 LEU HD1 H 0.7640 0.02 2 1339 123 127 LEU HD2 H 0.9170 0.02 2 1340 123 127 LEU C C 177.0160 0.3 1 1341 123 127 LEU CA C 55.1190 0.3 1 1342 123 127 LEU CB C 42.4360 0.3 1 1343 123 127 LEU CG C 26.7960 0.3 1 1344 123 127 LEU CD1 C 26.7960 0.3 2 1345 123 127 LEU CD2 C 23.4850 0.3 2 1346 123 127 LEU N N 124.4840 0.2 1 1347 124 128 ILE H H 9.2360 0.02 1 1348 124 128 ILE HA H 4.4220 0.02 1 1349 124 128 ILE HB H 1.5750 0.02 1 1350 124 128 ILE HG12 H 1.0770 0.02 2 1351 124 128 ILE HG13 H 1.5140 0.02 2 1352 124 128 ILE HG2 H 0.8190 0.02 1 1353 124 128 ILE HD1 H 0.8160 0.02 1 1354 124 128 ILE C C 174.0550 0.3 1 1355 124 128 ILE CA C 60.5520 0.3 1 1356 124 128 ILE CB C 41.9670 0.3 1 1357 124 128 ILE CG1 C 26.6060 0.3 1 1358 124 128 ILE CG2 C 17.2010 0.3 1 1359 124 128 ILE CD1 C 12.8350 0.3 1 1360 124 128 ILE N N 132.6310 0.2 1 1361 125 129 VAL H H 8.1340 0.02 1 1362 125 129 VAL HA H 4.8640 0.02 1 1363 125 129 VAL HB H 2.0700 0.02 1 1364 125 129 VAL HG1 H 1.0130 0.02 2 1365 125 129 VAL HG2 H 1.0220 0.02 2 1366 125 129 VAL C C 174.2110 0.3 1 1367 125 129 VAL CA C 61.8710 0.3 1 1368 125 129 VAL CB C 33.9980 0.3 1 1369 125 129 VAL CG1 C 21.2910 0.3 2 1370 125 129 VAL CG2 C 22.6480 0.3 2 1371 125 129 VAL N N 125.6000 0.2 1 1372 126 130 ALA H H 9.5350 0.02 1 1373 126 130 ALA HA H 5.3590 0.02 1 1374 126 130 ALA HB H 1.3010 0.02 1 1375 126 130 ALA C C 176.7340 0.3 1 1376 126 130 ALA CA C 50.2640 0.3 1 1377 126 130 ALA CB C 23.2030 0.3 1 1378 126 130 ALA N N 128.1750 0.2 1 1379 127 131 ASP H H 8.7030 0.02 1 1380 127 131 ASP HA H 5.0250 0.02 1 1381 127 131 ASP HB2 H 2.6120 0.02 2 1382 127 131 ASP HB3 H 3.5700 0.02 2 1383 127 131 ASP C C 177.3130 0.3 1 1384 127 131 ASP CA C 52.7890 0.3 1 1385 127 131 ASP CB C 41.7020 0.3 1 1386 127 131 ASP N N 120.9710 0.2 1 1387 128 132 GLU H H 8.3630 0.02 1 1388 128 132 GLU HA H 4.6370 0.02 1 1389 128 132 GLU HB2 H 1.6820 0.02 2 1390 128 132 GLU HB3 H 2.2450 0.02 2 1391 128 132 GLU HG2 H 1.9670 0.02 2 1392 128 132 GLU HG3 H 2.3690 0.02 2 1393 128 132 GLU C C 176.0380 0.3 1 1394 128 132 GLU CA C 58.0620 0.3 1 1395 128 132 GLU CB C 28.3320 0.3 1 1396 128 132 GLU CG C 30.5600 0.3 1 1397 128 132 GLU N N 113.8950 0.2 1 1398 129 133 ASN H H 8.5490 0.02 1 1399 129 133 ASN HA H 4.9410 0.02 1 1400 129 133 ASN HB2 H 2.7330 0.02 2 1401 129 133 ASN HB3 H 2.9910 0.02 2 1402 129 133 ASN HD21 H 7.7880 0.02 2 1403 129 133 ASN HD22 H 6.9170 0.02 2 1404 129 133 ASN C C 174.8930 0.3 1 1405 129 133 ASN CA C 52.5840 0.3 1 1406 129 133 ASN CB C 39.4810 0.3 1 1407 129 133 ASN N N 116.2000 0.2 1 1408 129 133 ASN ND2 N 114.5160 0.2 1 1409 130 134 ASP H H 8.3260 0.02 1 1410 130 134 ASP HA H 4.2400 0.02 1 1411 130 134 ASP HB2 H 2.7360 0.02 2 1412 130 134 ASP HB3 H 3.1830 0.02 2 1413 130 134 ASP C C 174.0130 0.3 1 1414 130 134 ASP CA C 54.5970 0.3 1 1415 130 134 ASP CB C 37.2790 0.3 1 1416 130 134 ASP N N 115.2970 0.2 1 1417 131 135 LYS H H 8.6220 0.02 1 1418 131 135 LYS HA H 4.5190 0.02 1 1419 131 135 LYS HB2 H 1.8920 0.02 2 1420 131 135 LYS HB3 H 1.9610 0.02 2 1421 131 135 LYS HG2 H 1.3790 0.02 2 1422 131 135 LYS HG3 H 1.4720 0.02 2 1423 131 135 LYS HD2 H 1.6950 0.02 2 1424 131 135 LYS HD3 H 1.6950 0.02 2 1425 131 135 LYS HE2 H 3.0310 0.02 2 1426 131 135 LYS HE3 H 3.0310 0.02 2 1427 131 135 LYS C C 176.4900 0.3 1 1428 131 135 LYS CA C 54.9230 0.3 1 1429 131 135 LYS CB C 32.1220 0.3 1 1430 131 135 LYS CG C 24.6350 0.3 1 1431 131 135 LYS CD C 28.7100 0.3 1 1432 131 135 LYS CE C 42.2990 0.3 1 1433 131 135 LYS N N 120.2190 0.2 1 1434 132 136 ASP H H 8.5170 0.02 1 1435 132 136 ASP HA H 4.7100 0.02 1 1436 132 136 ASP HB2 H 2.8150 0.02 2 1437 132 136 ASP HB3 H 2.5910 0.02 2 1438 132 136 ASP C C 175.8260 0.3 1 1439 132 136 ASP CA C 55.4480 0.3 1 1440 132 136 ASP CB C 40.5610 0.3 1 1441 132 136 ASP N N 123.9840 0.2 1 1442 133 137 ILE H H 8.8070 0.02 1 1443 133 137 ILE HA H 4.6820 0.02 1 1444 133 137 ILE HB H 1.6520 0.02 1 1445 133 137 ILE HG12 H 1.0730 0.02 2 1446 133 137 ILE HG13 H 1.3930 0.02 2 1447 133 137 ILE HG2 H 0.8200 0.02 1 1448 133 137 ILE HD1 H 0.8480 0.02 1 1449 133 137 ILE CA C 59.7820 0.3 1 1450 133 137 ILE CB C 40.6210 0.3 1 1451 133 137 ILE CG1 C 26.8440 0.3 1 1452 133 137 ILE CG2 C 17.5900 0.3 1 1453 133 137 ILE CD1 C 12.9780 0.3 1 1454 133 137 ILE N N 124.6310 0.2 1 1455 136 140 ALA HA H 4.4760 0.02 1 1456 136 140 ALA HB H 1.3050 0.02 1 1457 136 140 ALA C C 174.8210 0.3 1 1458 136 140 ALA CA C 51.8120 0.3 1 1459 136 140 ALA CB C 22.6880 0.3 1 1460 137 141 ALA H H 8.6680 0.02 1 1461 137 141 ALA HA H 5.7340 0.02 1 1462 137 141 ALA HB H 1.2810 0.02 1 1463 137 141 ALA C C 177.2660 0.3 1 1464 137 141 ALA CA C 50.2640 0.3 1 1465 137 141 ALA CB C 22.4180 0.3 1 1466 137 141 ALA N N 121.2310 0.2 1 1467 138 142 SER H H 8.6820 0.02 1 1468 138 142 SER HA H 4.7740 0.02 1 1469 138 142 SER HB2 H 3.6990 0.02 2 1470 138 142 SER HB3 H 3.8410 0.02 2 1471 138 142 SER C C 173.1790 0.3 1 1472 138 142 SER CA C 57.0390 0.3 1 1473 138 142 SER CB C 64.9220 0.3 1 1474 138 142 SER N N 116.1040 0.2 1 1475 139 143 ASN H H 8.6200 0.02 1 1476 139 143 ASN HA H 4.8470 0.02 1 1477 139 143 ASN HB2 H 2.8510 0.02 2 1478 139 143 ASN HB3 H 3.1210 0.02 2 1479 139 143 ASN HD21 H 7.7840 0.02 2 1480 139 143 ASN HD22 H 7.5390 0.02 2 1481 139 143 ASN C C 175.3060 0.3 1 1482 139 143 ASN CA C 53.3110 0.3 1 1483 139 143 ASN CB C 40.0180 0.3 1 1484 139 143 ASN N N 123.5740 0.2 1 1485 139 143 ASN ND2 N 114.4610 0.2 1 1486 140 144 GLY H H 8.4390 0.02 1 1487 140 144 GLY HA2 H 3.8610 0.02 2 1488 140 144 GLY HA3 H 4.5440 0.02 2 1489 140 144 GLY C C 175.4850 0.3 1 1490 140 144 GLY CA C 44.5670 0.3 1 1491 140 144 GLY N N 107.2290 0.2 1 1492 141 145 LYS H H 8.4060 0.02 1 1493 141 145 LYS HA H 4.9960 0.02 1 1494 141 145 LYS HB2 H 1.4700 0.02 2 1495 141 145 LYS HB3 H 1.9410 0.02 2 1496 141 145 LYS HG2 H 1.1170 0.02 2 1497 141 145 LYS HG3 H 1.3160 0.02 2 1498 141 145 LYS HD2 H 1.4500 0.02 2 1499 141 145 LYS HD3 H 1.4500 0.02 2 1500 141 145 LYS HE2 H 2.8320 0.02 2 1501 141 145 LYS HE3 H 2.8320 0.02 2 1502 141 145 LYS C C 173.1920 0.3 1 1503 141 145 LYS CA C 56.5000 0.3 1 1504 141 145 LYS CB C 35.6170 0.3 1 1505 141 145 LYS CG C 23.6610 0.3 1 1506 141 145 LYS CD C 29.8970 0.3 1 1507 141 145 LYS CE C 42.0180 0.3 1 1508 141 145 LYS N N 120.6080 0.2 1 1509 142 146 ILE H H 8.5410 0.02 1 1510 142 146 ILE HA H 4.5530 0.02 1 1511 142 146 ILE HB H 1.1390 0.02 1 1512 142 146 ILE HG12 H 0.2220 0.02 2 1513 142 146 ILE HG13 H 1.0130 0.02 2 1514 142 146 ILE HG2 H 0.4110 0.02 1 1515 142 146 ILE HD1 H -0.9800 0.02 1 1516 142 146 ILE C C 175.9020 0.3 1 1517 142 146 ILE CA C 60.2510 0.3 1 1518 142 146 ILE CB C 39.7670 0.3 1 1519 142 146 ILE CG1 C 26.6900 0.3 1 1520 142 146 ILE CG2 C 17.1200 0.3 1 1521 142 146 ILE CD1 C 10.8620 0.3 1 1522 142 146 ILE N N 119.6610 0.2 1 1523 143 147 THR H H 9.0810 0.02 1 1524 143 147 THR HA H 4.6970 0.02 1 1525 143 147 THR HB H 3.8830 0.02 1 1526 143 147 THR HG2 H 1.1030 0.02 1 1527 143 147 THR C C 173.4230 0.3 1 1528 143 147 THR CA C 62.1970 0.3 1 1529 143 147 THR CB C 69.9990 0.3 1 1530 143 147 THR CG2 C 20.9930 0.3 1 1531 143 147 THR N N 126.0210 0.2 1 1532 144 148 VAL H H 8.4780 0.02 1 1533 144 148 VAL HA H 4.8850 0.02 1 1534 144 148 VAL HB H 2.3830 0.02 1 1535 144 148 VAL HG1 H 0.8800 0.02 2 1536 144 148 VAL HG2 H 1.1300 0.02 2 1537 144 148 VAL C C 177.5930 0.3 1 1538 144 148 VAL CA C 61.3100 0.3 1 1539 144 148 VAL CB C 31.6240 0.3 1 1540 144 148 VAL CG1 C 21.3370 0.3 2 1541 144 148 VAL CG2 C 22.4810 0.3 2 1542 144 148 VAL N N 128.5970 0.2 1 1543 145 149 THR H H 8.8930 0.02 1 1544 145 149 THR HA H 4.3760 0.02 1 1545 145 149 THR HB H 4.3310 0.02 1 1546 145 149 THR HG2 H 1.2320 0.02 1 1547 145 149 THR C C 173.7290 0.3 1 1548 145 149 THR CA C 61.6150 0.3 1 1549 145 149 THR CB C 69.8430 0.3 1 1550 145 149 THR CG2 C 21.0000 0.3 1 1551 145 149 THR N N 123.2020 0.2 1 1552 146 150 GLY H H 8.2480 0.02 1 1553 146 150 GLY HA2 H 3.9980 0.02 2 1554 146 150 GLY HA3 H 4.1250 0.02 2 1555 146 150 GLY C C 173.8490 0.3 1 1556 146 150 GLY CA C 45.1490 0.3 1 1557 146 150 GLY N N 107.0090 0.2 1 1558 147 151 SER H H 8.2640 0.02 1 1559 147 151 SER HA H 4.4880 0.02 1 1560 147 151 SER HB2 H 3.8680 0.02 2 1561 147 151 SER HB3 H 3.8680 0.02 2 1562 147 151 SER C C 173.8590 0.3 1 1563 147 151 SER CA C 57.9190 0.3 1 1564 147 151 SER CB C 64.1950 0.3 1 1565 147 151 SER N N 115.2840 0.2 1 1566 148 152 ALA H H 8.4210 0.02 1 1567 148 152 ALA HA H 4.6250 0.02 1 1568 148 152 ALA HB H 1.3820 0.02 1 1569 148 152 ALA C C 175.6810 0.3 1 1570 148 152 ALA CA C 50.7250 0.3 1 1571 148 152 ALA CB C 18.0710 0.3 1 1572 148 152 ALA N N 127.1230 0.2 1 1573 149 153 PRO HA H 4.5460 0.02 1 1574 149 153 PRO HB2 H 2.0080 0.02 2 1575 149 153 PRO HB3 H 2.3480 0.02 2 1576 149 153 PRO HG2 H 2.0570 0.02 2 1577 149 153 PRO HG3 H 2.0570 0.02 2 1578 149 153 PRO HD2 H 3.6980 0.02 2 1579 149 153 PRO HD3 H 3.8470 0.02 2 1580 149 153 PRO C C 177.3030 0.3 1 1581 149 153 PRO CA C 63.0690 0.3 1 1582 149 153 PRO CB C 32.2080 0.3 1 1583 149 153 PRO CG C 27.4420 0.3 1 1584 149 153 PRO CD C 50.6580 0.3 1 1585 150 154 THR H H 8.3570 0.02 1 1586 150 154 THR HA H 4.3770 0.02 1 1587 150 154 THR HB H 4.3290 0.02 1 1588 150 154 THR HG2 H 1.2390 0.02 1 1589 150 154 THR C C 174.0560 0.3 1 1590 150 154 THR CA C 61.6780 0.3 1 1591 150 154 THR CB C 69.8440 0.3 1 1592 150 154 THR CG2 C 21.6000 0.3 1 1593 150 154 THR N N 114.0950 0.2 1 1594 151 155 SER H H 7.9690 0.02 1 1595 151 155 SER HA H 4.2800 0.02 1 1596 151 155 SER HB2 H 3.8710 0.02 2 1597 151 155 SER HB3 H 3.8710 0.02 2 1598 151 155 SER C C 178.5620 0.3 1 1599 151 155 SER CA C 60.1000 0.3 1 1600 151 155 SER CB C 64.9280 0.3 1 1601 151 155 SER N N 123.0630 0.2 1 stop_ save_