data_17694 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C backbone and side-chain assignments of a family 32 carbohydrate-binding module (CBM32) from the Clostridium perfringens NagH ; _BMRB_accession_number 17694 _BMRB_flat_file_name bmr17694.str _Entry_type original _Submission_date 2011-06-08 _Accession_date 2011-06-08 _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 Grondin Julie M. . 2 Chitayat Seth . . 3 Ficko-Blean Elizabeth . . 4 Boraston Alisdair B. . 5 Smith Steven P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 812 "13C chemical shifts" 597 "15N chemical shifts" 158 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-01-24 update author 'update entry citation' 2012-05-17 update author 'update shifts based PDB entry' 2011-09-14 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 15N and 13C backbone and side-chain resonance assignments of a family 32 carbohydrate-binding module from the Clostridium perfringens NagH.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21912839 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Grondin Julie M. . 2 Chitayat Seth . . 3 Ficko-Blean Elizabeth . . 4 Boraston Alisdair B. . 5 Smith Steven P. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 6 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 139 _Page_last 142 _Year 2012 _Details . loop_ _Keyword 'Carbohydrate-binding protein' 'Clostridium perfringens' 'Glycoside hydrolase' 'Host-pathogen interactions' 'NMR Spectroscopy' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name GH84A_CBM32-1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label GH84A_CBM32-1 $GH84A_CBM32-1 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_GH84A_CBM32-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common GH84A_CBM32-1 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 164 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MASDPNRIIATYISNRQDAP TGNPDNIFDNNASTELVYKN PNRIDVGTYVGVKYSNPITL NNVEFLMGANSNPNDTMQKA KIQYTVDGREWIDLEEGVEY TMPGAIKVENLDLKVRGVRL IATEARENTWLGVRDINVNK KEDS ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 SER 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 SER 12 SER 13 GLY 14 LEU 15 VAL 16 PRO 17 ARG 18 GLY 19 SER 20 HIS 21 MET 22 ALA 23 SER 24 ASP 25 PRO 26 ASN 27 ARG 28 ILE 29 ILE 30 ALA 31 THR 32 TYR 33 ILE 34 SER 35 ASN 36 ARG 37 GLN 38 ASP 39 ALA 40 PRO 41 THR 42 GLY 43 ASN 44 PRO 45 ASP 46 ASN 47 ILE 48 PHE 49 ASP 50 ASN 51 ASN 52 ALA 53 SER 54 THR 55 GLU 56 LEU 57 VAL 58 TYR 59 LYS 60 ASN 61 PRO 62 ASN 63 ARG 64 ILE 65 ASP 66 VAL 67 GLY 68 THR 69 TYR 70 VAL 71 GLY 72 VAL 73 LYS 74 TYR 75 SER 76 ASN 77 PRO 78 ILE 79 THR 80 LEU 81 ASN 82 ASN 83 VAL 84 GLU 85 PHE 86 LEU 87 MET 88 GLY 89 ALA 90 ASN 91 SER 92 ASN 93 PRO 94 ASN 95 ASP 96 THR 97 MET 98 GLN 99 LYS 100 ALA 101 LYS 102 ILE 103 GLN 104 TYR 105 THR 106 VAL 107 ASP 108 GLY 109 ARG 110 GLU 111 TRP 112 ILE 113 ASP 114 LEU 115 GLU 116 GLU 117 GLY 118 VAL 119 GLU 120 TYR 121 THR 122 MET 123 PRO 124 GLY 125 ALA 126 ILE 127 LYS 128 VAL 129 GLU 130 ASN 131 LEU 132 ASP 133 LEU 134 LYS 135 VAL 136 ARG 137 GLY 138 VAL 139 ARG 140 LEU 141 ILE 142 ALA 143 THR 144 GLU 145 ALA 146 ARG 147 GLU 148 ASN 149 THR 150 TRP 151 LEU 152 GLY 153 VAL 154 ARG 155 ASP 156 ILE 157 ASN 158 VAL 159 ASN 160 LYS 161 LYS 162 GLU 163 ASP 164 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 PDB 2LS6 "Solution Nmr Structure Of A Non-canonical Galactose-binding Cbm32 From Clostridium Perfringens" 100.00 164 100.00 100.00 1.76e-116 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $GH84A_CBM32-1 'Clostridium perfringens' 1502 Bacteria . Clostridium perfringens 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 $GH84A_CBM32-1 'recombinant technology' . Escherichia coli . pET28a(+) 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 $GH84A_CBM32-1 0.8 mM '[U-100% 13C; U-100% 15N]' H20 90 % 'natural abundance' D20 10 % 'natural abundance' TRIS 25 mM 'natural abundance' 'sodium chloride' 50 mM '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' 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_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 75 . mM pH 6.9 . pH pressure 1 . atm temperature 273 . 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 external indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 external direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 external 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 CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D HCCH-COSY' '3D HNHA' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name GH84A_CBM32-1 _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 22 22 ALA H H 8.274 . . 2 22 22 ALA HA H 4.290 . . 3 22 22 ALA HB H 1.400 . . 4 22 22 ALA C C 177.520 . . 5 22 22 ALA CA C 52.390 . . 6 22 22 ALA CB C 18.870 . . 7 22 22 ALA N N 125.090 . . 8 23 23 SER H H 8.120 . . 9 23 23 SER HA H 4.410 . . 10 23 23 SER HB2 H 3.786 . . 11 23 23 SER HB3 H 3.786 . . 12 23 23 SER C C 173.770 . . 13 23 23 SER CA C 58.210 . . 14 23 23 SER CB C 64.030 . . 15 23 23 SER N N 114.380 . . 16 24 24 ASP H H 8.160 . . 17 24 24 ASP HA H 4.450 . . 18 24 24 ASP CA C 51.730 . . 19 24 24 ASP CB C 42.070 . . 20 24 24 ASP N N 123.410 . . 21 25 25 PRO HA H 4.420 . . 22 25 25 PRO HB2 H 1.930 . . 23 25 25 PRO HB3 H 2.300 . . 24 25 25 PRO HG2 H 2.050 . . 25 25 25 PRO HG3 H 1.960 . . 26 25 25 PRO HD2 H 3.896 . . 27 25 25 PRO HD3 H 3.896 . . 28 25 25 PRO C C 177.030 . . 29 25 25 PRO CA C 64.120 . . 30 25 25 PRO CB C 32.330 . . 31 25 25 PRO CG C 27.070 . . 32 25 25 PRO CD C 51.150 . . 33 26 26 ASN H H 8.460 . . 34 26 26 ASN HA H 4.700 . . 35 26 26 ASN HB2 H 2.820 . . 36 26 26 ASN HB3 H 2.750 . . 37 26 26 ASN HD21 H 7.770 . . 38 26 26 ASN HD22 H 6.930 . . 39 26 26 ASN C C 175.020 . . 40 26 26 ASN CA C 53.600 . . 41 26 26 ASN CB C 38.800 . . 42 26 26 ASN N N 116.690 . . 43 26 26 ASN ND2 N 114.060 . . 44 27 27 ARG H H 7.650 . . 45 27 27 ARG HA H 4.243 . . 46 27 27 ARG HB2 H 1.809 . . 47 27 27 ARG HB3 H 1.809 . . 48 27 27 ARG HG2 H 1.560 . . 49 27 27 ARG HG3 H 1.560 . . 50 27 27 ARG HD2 H 3.157 . . 51 27 27 ARG HD3 H 3.157 . . 52 27 27 ARG C C 175.650 . . 53 27 27 ARG CA C 56.460 . . 54 27 27 ARG CB C 30.870 . . 55 27 27 ARG CG C 27.150 . . 56 27 27 ARG CD C 43.190 . . 57 27 27 ARG N N 120.600 . . 58 28 28 ILE H H 8.300 . . 59 28 28 ILE HA H 3.980 . . 60 28 28 ILE HB H 1.870 . . 61 28 28 ILE HG12 H 1.550 . . 62 28 28 ILE HG13 H 1.104 . . 63 28 28 ILE HG2 H 0.990 . . 64 28 28 ILE HD1 H 0.790 . . 65 28 28 ILE C C 175.400 . . 66 28 28 ILE CA C 61.420 . . 67 28 28 ILE CB C 38.340 . . 68 28 28 ILE CG1 C 27.860 . . 69 28 28 ILE CG2 C 18.110 . . 70 28 28 ILE CD1 C 13.300 . . 71 28 28 ILE N N 123.550 . . 72 29 29 ILE H H 8.480 . . 73 29 29 ILE HA H 4.310 . . 74 29 29 ILE HB H 1.820 . . 75 29 29 ILE HG12 H 1.510 . . 76 29 29 ILE HG13 H 1.180 . . 77 29 29 ILE HG2 H 0.860 . . 78 29 29 ILE HD1 H 0.830 . . 79 29 29 ILE C C 175.400 . . 80 29 29 ILE CA C 60.190 . . 81 29 29 ILE CB C 39.440 . . 82 29 29 ILE CG1 C 27.370 . . 83 29 29 ILE CG2 C 17.240 . . 84 29 29 ILE CD1 C 12.110 . . 85 29 29 ILE N N 127.540 . . 86 30 30 ALA H H 8.570 . . 87 30 30 ALA HA H 4.970 . . 88 30 30 ALA HB H 1.080 . . 89 30 30 ALA C C 176.400 . . 90 30 30 ALA CA C 50.420 . . 91 30 30 ALA CB C 21.550 . . 92 30 30 ALA N N 133.000 . . 93 31 31 THR H H 9.070 . . 94 31 31 THR HA H 4.680 . . 95 31 31 THR HB H 3.790 . . 96 31 31 THR HG2 H 1.280 . . 97 31 31 THR C C 173.510 . . 98 31 31 THR CA C 61.360 . . 99 31 31 THR CB C 71.730 . . 100 31 31 THR CG2 C 21.110 . . 101 31 31 THR N N 117.810 . . 102 32 32 TYR H H 9.360 . . 103 32 32 TYR HA H 5.100 . . 104 32 32 TYR HB2 H 3.220 . . 105 32 32 TYR HB3 H 2.940 . . 106 32 32 TYR HD2 H 7.060 . . 107 32 32 TYR HE2 H 6.660 . . 108 32 32 TYR C C 174.780 . . 109 32 32 TYR CA C 58.630 . . 110 32 32 TYR CB C 39.000 . . 111 32 32 TYR CD2 C 133.360 . . 112 32 32 TYR CE2 C 117.050 . . 113 32 32 TYR N N 128.380 . . 114 33 33 ILE H H 7.920 . . 115 33 33 ILE HA H 4.590 . . 116 33 33 ILE HB H 1.870 . . 117 33 33 ILE HG12 H 1.254 . . 118 33 33 ILE HG13 H 0.731 . . 119 33 33 ILE HG2 H 0.881 . . 120 33 33 ILE HD1 H 0.792 . . 121 33 33 ILE C C 172.770 . . 122 33 33 ILE CA C 59.080 . . 123 33 33 ILE CB C 42.220 . . 124 33 33 ILE CG1 C 25.611 . . 125 33 33 ILE CG2 C 18.030 . . 126 33 33 ILE CD1 C 13.620 . . 127 33 33 ILE N N 121.520 . . 128 34 34 SER H H 7.540 . . 129 34 34 SER HA H 4.030 . . 130 34 34 SER HB2 H 4.127 . . 131 34 34 SER HB3 H 3.300 . . 132 34 34 SER C C 173.510 . . 133 34 34 SER CA C 57.550 . . 134 34 34 SER CB C 65.890 . . 135 34 34 SER N N 110.390 . . 136 35 35 ASN H H 6.980 . . 137 35 35 ASN HA H 4.620 . . 138 35 35 ASN HB2 H 3.060 . . 139 35 35 ASN HB3 H 2.280 . . 140 35 35 ASN HD21 H 7.440 . . 141 35 35 ASN HD22 H 6.880 . . 142 35 35 ASN C C 177.470 . . 143 35 35 ASN CA C 51.730 . . 144 35 35 ASN CB C 36.150 . . 145 35 35 ASN N N 119.280 . . 146 35 35 ASN ND2 N 110.120 . . 147 36 36 ARG H H 7.930 . . 148 36 36 ARG HA H 4.090 . . 149 36 36 ARG HB2 H 1.990 . . 150 36 36 ARG HB3 H 1.350 . . 151 36 36 ARG HG2 H 0.890 . . 152 36 36 ARG HG3 H 0.110 . . 153 36 36 ARG HD2 H 3.030 . . 154 36 36 ARG HD3 H 2.630 . . 155 36 36 ARG C C 177.770 . . 156 36 36 ARG CA C 54.830 . . 157 36 36 ARG CB C 29.120 . . 158 36 36 ARG CG C 24.510 . . 159 36 36 ARG CD C 40.320 . . 160 36 36 ARG N N 120.970 . . 161 37 37 GLN H H 9.020 . . 162 37 37 GLN HA H 4.330 . . 163 37 37 GLN HB2 H 2.300 . . 164 37 37 GLN HB3 H 1.980 . . 165 37 37 GLN HG2 H 2.440 . . 166 37 37 GLN HG3 H 2.380 . . 167 37 37 GLN C C 175.640 . . 168 37 37 GLN CA C 56.340 . . 169 37 37 GLN CB C 29.770 . . 170 37 37 GLN CG C 34.390 . . 171 37 37 GLN N N 122.630 . . 172 38 38 ASP H H 10.530 . . 173 38 38 ASP HA H 4.540 . . 174 38 38 ASP HB2 H 3.260 . . 175 38 38 ASP HB3 H 2.630 . . 176 38 38 ASP C C 175.900 . . 177 38 38 ASP CA C 51.730 . . 178 38 38 ASP CB C 40.540 . . 179 38 38 ASP N N 117.690 . . 180 39 39 ALA H H 8.620 . . 181 39 39 ALA HA H 4.700 . . 182 39 39 ALA HB H 1.400 . . 183 39 39 ALA CA C 49.270 . . 184 39 39 ALA CB C 17.160 . . 185 39 39 ALA N N 126.280 . . 186 40 40 PRO HA H 4.340 . . 187 40 40 PRO HB2 H 0.360 . . 188 40 40 PRO HB3 H 1.200 . . 189 40 40 PRO HG2 H 1.730 . . 190 40 40 PRO HG3 H 1.640 . . 191 40 40 PRO HD2 H 3.920 . . 192 40 40 PRO HD3 H 3.860 . . 193 40 40 PRO C C 177.150 . . 194 40 40 PRO CA C 62.050 . . 195 40 40 PRO CB C 30.660 . . 196 40 40 PRO CG C 25.830 . . 197 40 40 PRO CD C 49.980 . . 198 41 41 THR H H 8.740 . . 199 41 41 THR HA H 4.190 . . 200 41 41 THR HB H 3.920 . . 201 41 41 THR HG2 H 1.130 . . 202 41 41 THR C C 174.442 . . 203 41 41 THR CA C 63.700 . . 204 41 41 THR CB C 69.630 . . 205 41 41 THR CG2 C 20.890 . . 206 41 41 THR N N 115.430 . . 207 42 42 GLY H H 8.320 . . 208 42 42 GLY HA2 H 4.640 . . 209 42 42 GLY HA3 H 3.640 . . 210 42 42 GLY C C 171.270 . . 211 42 42 GLY CA C 43.610 . . 212 42 42 GLY N N 114.170 . . 213 43 43 ASN H H 7.000 . . 214 43 43 ASN HA H 5.050 . . 215 43 43 ASN HB2 H 2.737 . . 216 43 43 ASN HB3 H 2.737 . . 217 43 43 ASN HD21 H 7.674 . . 218 43 43 ASN HD22 H 6.978 . . 219 43 43 ASN CA C 50.640 . . 220 43 43 ASN CB C 40.540 . . 221 43 43 ASN N N 118.150 . . 222 43 43 ASN ND2 N 113.729 . . 223 44 44 PRO HA H 3.868 . . 224 44 44 PRO HB2 H 2.170 . . 225 44 44 PRO HB3 H 2.330 . . 226 44 44 PRO HG2 H 2.260 . . 227 44 44 PRO HG3 H 1.950 . . 228 44 44 PRO HD2 H 3.790 . . 229 44 44 PRO HD3 H 3.790 . . 230 44 44 PRO C C 176.510 . . 231 44 44 PRO CA C 65.990 . . 232 44 44 PRO CB C 31.750 . . 233 44 44 PRO CG C 27.810 . . 234 44 44 PRO CD C 51.290 . . 235 45 45 ASP H H 8.550 . . 236 45 45 ASP HA H 4.590 . . 237 45 45 ASP HB2 H 2.800 . . 238 45 45 ASP HB3 H 2.520 . . 239 45 45 ASP C C 178.510 . . 240 45 45 ASP CA C 57.900 . . 241 45 45 ASP CB C 39.660 . . 242 45 45 ASP N N 118.370 . . 243 46 46 ASN H H 8.660 . . 244 46 46 ASN HA H 4.340 . . 245 46 46 ASN HB2 H 2.650 . . 246 46 46 ASN HB3 H 2.470 . . 247 46 46 ASN HD21 H 7.657 . . 248 46 46 ASN HD22 H 7.303 . . 249 46 46 ASN C C 176.670 . . 250 46 46 ASN CA C 53.790 . . 251 46 46 ASN CB C 37.030 . . 252 46 46 ASN N N 116.550 . . 253 46 46 ASN ND2 N 107.824 . . 254 47 47 ILE H H 7.920 . . 255 47 47 ILE HA H 3.990 . . 256 47 47 ILE HB H 1.660 . . 257 47 47 ILE HG12 H 0.827 . . 258 47 47 ILE HG13 H 0.475 . . 259 47 47 ILE HG2 H 0.170 . . 260 47 47 ILE HD1 H 0.140 . . 261 47 47 ILE C C 175.770 . . 262 47 47 ILE CA C 60.240 . . 263 47 47 ILE CB C 36.370 . . 264 47 47 ILE CG1 C 26.050 . . 265 47 47 ILE CG2 C 17.600 . . 266 47 47 ILE CD1 C 10.130 . . 267 47 47 ILE N N 120.680 . . 268 48 48 PHE H H 6.940 . . 269 48 48 PHE HA H 4.950 . . 270 48 48 PHE HB2 H 3.730 . . 271 48 48 PHE HB3 H 2.690 . . 272 48 48 PHE HD1 H 7.430 . . 273 48 48 PHE C C 175.300 . . 274 48 48 PHE CA C 58.870 . . 275 48 48 PHE CB C 41.150 . . 276 48 48 PHE CD1 C 132.240 . . 277 48 48 PHE N N 116.410 . . 278 49 49 ASP H H 7.570 . . 279 49 49 ASP HA H 4.480 . . 280 49 49 ASP HB2 H 3.090 . . 281 49 49 ASP HB3 H 2.690 . . 282 49 49 ASP C C 175.270 . . 283 49 49 ASP CA C 53.120 . . 284 49 49 ASP CB C 40.010 . . 285 49 49 ASP N N 117.181 . . 286 50 50 ASN H H 9.190 . . 287 50 50 ASN HA H 4.120 . . 288 50 50 ASN HB2 H 3.100 . . 289 50 50 ASN HB3 H 2.340 . . 290 50 50 ASN HD21 H 7.390 . . 291 50 50 ASN HD22 H 6.670 . . 292 50 50 ASN C C 173.400 . . 293 50 50 ASN CA C 53.570 . . 294 50 50 ASN CB C 37.030 . . 295 50 50 ASN N N 121.660 . . 296 50 50 ASN ND2 N 109.900 . . 297 51 51 ASN H H 8.820 . . 298 51 51 ASN HA H 4.780 . . 299 51 51 ASN HB2 H 2.940 . . 300 51 51 ASN HB3 H 2.470 . . 301 51 51 ASN HD21 H 7.640 . . 302 51 51 ASN HD22 H 7.010 . . 303 51 51 ASN C C 176.890 . . 304 51 51 ASN CA C 51.880 . . 305 51 51 ASN CB C 39.220 . . 306 51 51 ASN N N 116.900 . . 307 51 51 ASN ND2 N 111.730 . . 308 52 52 ALA H H 9.540 . . 309 52 52 ALA HA H 4.080 . . 310 52 52 ALA HB H 1.390 . . 311 52 52 ALA C C 176.760 . . 312 52 52 ALA CA C 54.500 . . 313 52 52 ALA CB C 17.990 . . 314 52 52 ALA N N 108.000 . . 315 53 53 SER H H 8.150 . . 316 53 53 SER HA H 4.325 . . 317 53 53 SER HB2 H 3.887 . . 318 53 53 SER HB3 H 3.887 . . 319 53 53 SER C C 174.280 . . 320 53 53 SER CA C 60.000 . . 321 53 53 SER CB C 63.920 . . 322 53 53 SER N N 110.110 . . 323 54 54 THR H H 7.440 . . 324 54 54 THR HA H 4.670 . . 325 54 54 THR HB H 3.990 . . 326 54 54 THR HG2 H 1.050 . . 327 54 54 THR C C 175.270 . . 328 54 54 THR CA C 58.210 . . 329 54 54 THR CB C 69.180 . . 330 54 54 THR CG2 C 20.890 . . 331 54 54 THR N N 111.370 . . 332 55 55 GLU H H 9.320 . . 333 55 55 GLU HA H 5.380 . . 334 55 55 GLU HB2 H 1.808 . . 335 55 55 GLU HB3 H 1.631 . . 336 55 55 GLU HG2 H 2.232 . . 337 55 55 GLU HG3 H 1.805 . . 338 55 55 GLU C C 174.780 . . 339 55 55 GLU CA C 53.570 . . 340 55 55 GLU CB C 35.532 . . 341 55 55 GLU CG C 32.634 . . 342 55 55 GLU N N 123.770 . . 343 56 56 LEU H H 8.880 . . 344 56 56 LEU HA H 5.090 . . 345 56 56 LEU HB2 H 1.380 . . 346 56 56 LEU HB3 H 1.020 . . 347 56 56 LEU HG H 1.140 . . 348 56 56 LEU HD1 H 0.362 . . 349 56 56 LEU HD2 H 0.400 . . 350 56 56 LEU C C 176.140 . . 351 56 56 LEU CA C 54.170 . . 352 56 56 LEU CB C 45.590 . . 353 56 56 LEU CG C 26.710 . . 354 56 56 LEU CD1 C 24.510 . . 355 56 56 LEU CD2 C 25.880 . . 356 56 56 LEU N N 121.430 . . 357 57 57 VAL H H 7.760 . . 358 57 57 VAL HA H 5.070 . . 359 57 57 VAL HB H 1.670 . . 360 57 57 VAL HG1 H 0.850 . . 361 57 57 VAL HG2 H 0.640 . . 362 57 57 VAL C C 174.890 . . 363 57 57 VAL CA C 61.240 . . 364 57 57 VAL CB C 35.350 . . 365 57 57 VAL CG1 C 21.550 . . 366 57 57 VAL CG2 C 22.430 . . 367 57 57 VAL N N 118.230 . . 368 58 58 TYR H H 9.210 . . 369 58 58 TYR HA H 4.420 . . 370 58 58 TYR HB2 H 3.410 . . 371 58 58 TYR HB3 H 2.710 . . 372 58 58 TYR HD2 H 7.150 . . 373 58 58 TYR C C 176.400 . . 374 58 58 TYR CA C 58.430 . . 375 58 58 TYR CB C 38.750 . . 376 58 58 TYR CD2 C 133.740 . . 377 58 58 TYR N N 127.230 . . 378 59 59 LYS H H 7.920 . . 379 59 59 LYS HA H 4.300 . . 380 59 59 LYS HB2 H 1.040 . . 381 59 59 LYS HB3 H 1.040 . . 382 59 59 LYS HG2 H 0.440 . . 383 59 59 LYS HG3 H -0.910 . . 384 59 59 LYS HD2 H 0.890 . . 385 59 59 LYS HD3 H 0.440 . . 386 59 59 LYS HE2 H 1.950 . . 387 59 59 LYS HE3 H 1.300 . . 388 59 59 LYS C C 175.150 . . 389 59 59 LYS CA C 56.450 . . 390 59 59 LYS CB C 36.340 . . 391 59 59 LYS CG C 24.730 . . 392 59 59 LYS CD C 29.310 . . 393 59 59 LYS CE C 41.570 . . 394 59 59 LYS N N 118.220 . . 395 60 60 ASN H H 7.510 . . 396 60 60 ASN HA H 5.160 . . 397 60 60 ASN HB2 H 2.790 . . 398 60 60 ASN HB3 H 2.560 . . 399 60 60 ASN HD21 H 7.600 . . 400 60 60 ASN HD22 H 6.850 . . 401 60 60 ASN CA C 49.820 . . 402 60 60 ASN CB C 41.230 . . 403 60 60 ASN N N 116.130 . . 404 60 60 ASN ND2 N 112.960 . . 405 61 61 PRO HA H 5.080 . . 406 61 61 PRO HB2 H 2.150 . . 407 61 61 PRO HB3 H 2.470 . . 408 61 61 PRO HG2 H 1.980 . . 409 61 61 PRO HG3 H 1.890 . . 410 61 61 PRO HD2 H 3.440 . . 411 61 61 PRO HD3 H 3.440 . . 412 61 61 PRO C C 177.150 . . 413 61 61 PRO CA C 63.190 . . 414 61 61 PRO CB C 35.750 . . 415 61 61 PRO CG C 24.730 . . 416 61 61 PRO CD C 49.980 . . 417 62 62 ASN H H 8.660 . . 418 62 62 ASN HA H 5.230 . . 419 62 62 ASN HB2 H 3.027 . . 420 62 62 ASN HB3 H 2.889 . . 421 62 62 ASN HD21 H 7.738 . . 422 62 62 ASN HD22 H 6.868 . . 423 62 62 ASN C C 176.020 . . 424 62 62 ASN CA C 53.130 . . 425 62 62 ASN CB C 35.110 . . 426 62 62 ASN N N 122.610 . . 427 62 62 ASN ND2 N 111.870 . . 428 63 63 ARG H H 8.000 . . 429 63 63 ARG HA H 4.700 . . 430 63 63 ARG HB2 H 1.860 . . 431 63 63 ARG HB3 H 1.860 . . 432 63 63 ARG HG2 H 1.361 . . 433 63 63 ARG HG3 H 1.271 . . 434 63 63 ARG HD2 H 3.260 . . 435 63 63 ARG HD3 H 3.130 . . 436 63 63 ARG C C 173.890 . . 437 63 63 ARG CA C 54.770 . . 438 63 63 ARG CB C 33.490 . . 439 63 63 ARG CG C 26.690 . . 440 63 63 ARG CD C 42.950 . . 441 63 63 ARG N N 115.290 . . 442 64 64 ILE H H 8.940 . . 443 64 64 ILE HA H 4.450 . . 444 64 64 ILE HB H 1.470 . . 445 64 64 ILE HG12 H 1.370 . . 446 64 64 ILE HG13 H 0.620 . . 447 64 64 ILE HG2 H 0.870 . . 448 64 64 ILE HD1 H 0.780 . . 449 64 64 ILE C C 175.520 . . 450 64 64 ILE CA C 59.590 . . 451 64 64 ILE CB C 42.070 . . 452 64 64 ILE CG1 C 26.710 . . 453 64 64 ILE CG2 C 18.040 . . 454 64 64 ILE CD1 C 16.940 . . 455 64 64 ILE N N 120.020 . . 456 65 65 ASP H H 8.050 . . 457 65 65 ASP HA H 4.730 . . 458 65 65 ASP HB2 H 2.720 . . 459 65 65 ASP HB3 H 2.230 . . 460 65 65 ASP C C 178.650 . . 461 65 65 ASP CA C 54.250 . . 462 65 65 ASP CB C 41.860 . . 463 65 65 ASP N N 125.940 . . 464 66 66 VAL H H 9.000 . . 465 66 66 VAL HA H 3.060 . . 466 66 66 VAL HB H 1.867 . . 467 66 66 VAL HG1 H 0.879 . . 468 66 66 VAL HG2 H 0.905 . . 469 66 66 VAL C C 176.770 . . 470 66 66 VAL CA C 65.960 . . 471 66 66 VAL CB C 31.320 . . 472 66 66 VAL CG1 C 21.319 . . 473 66 66 VAL CG2 C 23.295 . . 474 66 66 VAL N N 123.060 . . 475 67 67 GLY H H 8.770 . . 476 67 67 GLY HA2 H 4.370 . . 477 67 67 GLY HA3 H 3.480 . . 478 67 67 GLY C C 174.780 . . 479 67 67 GLY CA C 44.490 . . 480 67 67 GLY N N 114.100 . . 481 68 68 THR H H 7.550 . . 482 68 68 THR HA H 4.560 . . 483 68 68 THR HB H 3.800 . . 484 68 68 THR HG2 H 0.860 . . 485 68 68 THR C C 172.890 . . 486 68 68 THR CA C 63.700 . . 487 68 68 THR CB C 69.000 . . 488 68 68 THR CG2 C 20.230 . . 489 68 68 THR N N 118.790 . . 490 69 69 TYR H H 8.750 . . 491 69 69 TYR HA H 6.100 . . 492 69 69 TYR HB2 H 2.440 . . 493 69 69 TYR HB3 H 2.190 . . 494 69 69 TYR HD2 H 6.795 . . 495 69 69 TYR HE2 H 6.618 . . 496 69 69 TYR C C 173.650 . . 497 69 69 TYR CA C 54.720 . . 498 69 69 TYR CB C 43.170 . . 499 69 69 TYR CD2 C 135.614 . . 500 69 69 TYR CE2 C 118.740 . . 501 69 69 TYR N N 123.310 . . 502 70 70 VAL H H 8.150 . . 503 70 70 VAL HA H 5.110 . . 504 70 70 VAL HB H 2.690 . . 505 70 70 VAL HG1 H 0.955 . . 506 70 70 VAL HG2 H 1.090 . . 507 70 70 VAL C C 175.390 . . 508 70 70 VAL CA C 59.300 . . 509 70 70 VAL CB C 35.050 . . 510 70 70 VAL CG1 C 21.980 . . 511 70 70 VAL CG2 C 18.470 . . 512 70 70 VAL N N 110.950 . . 513 71 71 GLY H H 8.900 . . 514 71 71 GLY HA2 H 4.520 . . 515 71 71 GLY HA3 H 4.440 . . 516 71 71 GLY C C 170.245 . . 517 71 71 GLY CA C 47.460 . . 518 71 71 GLY N N 110.740 . . 519 72 72 VAL H H 9.200 . . 520 72 72 VAL HA H 5.120 . . 521 72 72 VAL HB H 1.920 . . 522 72 72 VAL HG1 H 0.870 . . 523 72 72 VAL HG2 H 0.870 . . 524 72 72 VAL C C 173.400 . . 525 72 72 VAL CA C 60.850 . . 526 72 72 VAL CB C 36.790 . . 527 72 72 VAL CG1 C 21.550 . . 528 72 72 VAL CG2 C 21.550 . . 529 72 72 VAL N N 117.810 . . 530 73 73 LYS H H 9.040 . . 531 73 73 LYS HA H 5.230 . . 532 73 73 LYS HB2 H 1.840 . . 533 73 73 LYS HB3 H 1.788 . . 534 73 73 LYS HG2 H 1.490 . . 535 73 73 LYS HG3 H 1.490 . . 536 73 73 LYS HD2 H 1.788 . . 537 73 73 LYS HD3 H 1.700 . . 538 73 73 LYS HE2 H 2.885 . . 539 73 73 LYS HE3 H 2.885 . . 540 73 73 LYS C C 174.770 . . 541 73 73 LYS CA C 54.430 . . 542 73 73 LYS CB C 36.370 . . 543 73 73 LYS CG C 24.900 . . 544 73 73 LYS CD C 29.780 . . 545 73 73 LYS CE C 41.855 . . 546 73 73 LYS N N 123.970 . . 547 74 74 TYR H H 8.510 . . 548 74 74 TYR HA H 5.400 . . 549 74 74 TYR HB2 H 3.340 . . 550 74 74 TYR HB3 H 2.490 . . 551 74 74 TYR HD2 H 6.650 . . 552 74 74 TYR HE2 H 6.500 . . 553 74 74 TYR C C 177.380 . . 554 74 74 TYR CA C 57.330 . . 555 74 74 TYR CB C 43.170 . . 556 74 74 TYR CD2 C 132.430 . . 557 74 74 TYR CE2 C 117.800 . . 558 74 74 TYR N N 120.050 . . 559 75 75 SER H H 8.640 . . 560 75 75 SER HA H 4.160 . . 561 75 75 SER HB2 H 4.180 . . 562 75 75 SER HB3 H 3.990 . . 563 75 75 SER C C 173.390 . . 564 75 75 SER CA C 60.830 . . 565 75 75 SER CB C 63.260 . . 566 75 75 SER N N 115.990 . . 567 76 76 ASN H H 7.740 . . 568 76 76 ASN HA H 5.010 . . 569 76 76 ASN HB2 H 2.830 . . 570 76 76 ASN HB3 H 2.340 . . 571 76 76 ASN HD21 H 7.468 . . 572 76 76 ASN HD22 H 6.928 . . 573 76 76 ASN CA C 50.630 . . 574 76 76 ASN CB C 41.820 . . 575 76 76 ASN N N 119.980 . . 576 76 76 ASN ND2 N 113.620 . . 577 77 77 PRO HA H 4.440 . . 578 77 77 PRO HB2 H 1.621 . . 579 77 77 PRO HB3 H 2.095 . . 580 77 77 PRO HG2 H 2.080 . . 581 77 77 PRO HG3 H 1.780 . . 582 77 77 PRO HD2 H 3.650 . . 583 77 77 PRO HD3 H 3.590 . . 584 77 77 PRO C C 176.520 . . 585 77 77 PRO CA C 63.480 . . 586 77 77 PRO CB C 32.170 . . 587 77 77 PRO CG C 27.367 . . 588 77 77 PRO CD C 50.200 . . 589 78 78 ILE H H 8.700 . . 590 78 78 ILE HA H 4.500 . . 591 78 78 ILE HB H 1.440 . . 592 78 78 ILE HG12 H 0.890 . . 593 78 78 ILE HG13 H 0.182 . . 594 78 78 ILE HG2 H 0.480 . . 595 78 78 ILE HD1 H 0.090 . . 596 78 78 ILE C C 175.390 . . 597 78 78 ILE CA C 58.870 . . 598 78 78 ILE CB C 42.220 . . 599 78 78 ILE CG1 C 25.830 . . 600 78 78 ILE CG2 C 18.040 . . 601 78 78 ILE CD1 C 14.080 . . 602 78 78 ILE N N 116.410 . . 603 79 79 THR H H 8.320 . . 604 79 79 THR HA H 4.430 . . 605 79 79 THR HB H 3.920 . . 606 79 79 THR HG2 H 1.010 . . 607 79 79 THR C C 173.270 . . 608 79 79 THR CA C 63.260 . . 609 79 79 THR CB C 68.750 . . 610 79 79 THR CG2 C 21.540 . . 611 79 79 THR N N 118.160 . . 612 80 80 LEU H H 9.720 . . 613 80 80 LEU HA H 4.200 . . 614 80 80 LEU HB2 H 1.918 . . 615 80 80 LEU HB3 H 1.126 . . 616 80 80 LEU HG H 1.235 . . 617 80 80 LEU HD1 H 0.820 . . 618 80 80 LEU HD2 H 0.662 . . 619 80 80 LEU C C 173.480 . . 620 80 80 LEU CA C 54.690 . . 621 80 80 LEU CB C 44.270 . . 622 80 80 LEU CG C 26.720 . . 623 80 80 LEU CD1 C 25.140 . . 624 80 80 LEU CD2 C 26.572 . . 625 80 80 LEU N N 132.720 . . 626 81 81 ASN H H 9.890 . . 627 81 81 ASN HA H 5.360 . . 628 81 81 ASN HB2 H 2.940 . . 629 81 81 ASN HB3 H 2.480 . . 630 81 81 ASN HD21 H 7.730 . . 631 81 81 ASN HD22 H 7.130 . . 632 81 81 ASN C C 175.030 . . 633 81 81 ASN CA C 53.790 . . 634 81 81 ASN CB C 42.320 . . 635 81 81 ASN N N 123.710 . . 636 81 81 ASN ND2 N 110.010 . . 637 82 82 ASN H H 7.970 . . 638 82 82 ASN HA H 5.150 . . 639 82 82 ASN HB2 H 3.330 . . 640 82 82 ASN HB3 H 2.690 . . 641 82 82 ASN HD21 H 7.697 . . 642 82 82 ASN HD22 H 7.327 . . 643 82 82 ASN C C 172.640 . . 644 82 82 ASN CA C 53.160 . . 645 82 82 ASN CB C 41.420 . . 646 82 82 ASN N N 111.160 . . 647 82 82 ASN ND2 N 116.927 . . 648 83 83 VAL H H 8.870 . . 649 83 83 VAL HA H 4.940 . . 650 83 83 VAL HB H 2.130 . . 651 83 83 VAL HG1 H 0.920 . . 652 83 83 VAL HG2 H 0.662 . . 653 83 83 VAL C C 170.270 . . 654 83 83 VAL CA C 60.410 . . 655 83 83 VAL CB C 34.180 . . 656 83 83 VAL CG1 C 18.583 . . 657 83 83 VAL CG2 C 23.193 . . 658 83 83 VAL N N 117.180 . . 659 84 84 GLU H H 8.430 . . 660 84 84 GLU HA H 5.750 . . 661 84 84 GLU HB2 H 2.120 . . 662 84 84 GLU HB3 H 1.860 . . 663 84 84 GLU HG2 H 2.110 . . 664 84 84 GLU HG3 H 1.800 . . 665 84 84 GLU C C 174.890 . . 666 84 84 GLU CA C 53.820 . . 667 84 84 GLU CB C 35.390 . . 668 84 84 GLU CG C 37.470 . . 669 84 84 GLU N N 127.890 . . 670 85 85 PHE H H 9.090 . . 671 85 85 PHE HA H 4.740 . . 672 85 85 PHE HB2 H 2.890 . . 673 85 85 PHE HB3 H 2.730 . . 674 85 85 PHE HD1 H 7.040 . . 675 85 85 PHE HE1 H 7.204 . . 676 85 85 PHE C C 173.900 . . 677 85 85 PHE CA C 56.230 . . 678 85 85 PHE CB C 41.850 . . 679 85 85 PHE CD1 C 132.050 . . 680 85 85 PHE CE1 C 131.676 . . 681 85 85 PHE N N 124.120 . . 682 86 86 LEU H H 8.590 . . 683 86 86 LEU HA H 5.000 . . 684 86 86 LEU HB2 H 1.950 . . 685 86 86 LEU HB3 H 1.270 . . 686 86 86 LEU HG H 1.468 . . 687 86 86 LEU HD1 H 0.891 . . 688 86 86 LEU HD2 H 0.947 . . 689 86 86 LEU C C 175.140 . . 690 86 86 LEU CA C 54.340 . . 691 86 86 LEU CB C 41.640 . . 692 86 86 LEU CG C 27.367 . . 693 86 86 LEU CD1 C 24.376 . . 694 86 86 LEU CD2 C 25.694 . . 695 86 86 LEU N N 123.060 . . 696 87 87 MET H H 8.660 . . 697 87 87 MET HA H 5.410 . . 698 87 87 MET HG2 H 1.090 . . 699 87 87 MET HG3 H 1.090 . . 700 87 87 MET HE H 2.100 . . 701 87 87 MET C C 179.900 . . 702 87 87 MET CA C 53.269 . . 703 87 87 MET CB C 32.630 . . 704 87 87 MET CG C 20.440 . . 705 87 87 MET CE C 15.840 . . 706 87 87 MET N N 122.220 . . 707 88 88 GLY H H 8.010 . . 708 88 88 GLY HA2 H 4.310 . . 709 88 88 GLY HA3 H 3.890 . . 710 88 88 GLY C C 171.260 . . 711 88 88 GLY CA C 44.210 . . 712 88 88 GLY N N 109.690 . . 713 89 89 ALA H H 6.590 . . 714 89 89 ALA HA H 4.590 . . 715 89 89 ALA HB H 1.600 . . 716 89 89 ALA CA C 49.980 . . 717 89 89 ALA CB C 20.770 . . 718 89 89 ALA N N 118.730 . . 719 90 90 ASN H H 11.421 . . 720 90 90 ASN HA H 4.040 . . 721 90 90 ASN HB2 H 2.870 . . 722 90 90 ASN HB3 H 2.410 . . 723 90 90 ASN HD21 H 8.228 . . 724 90 90 ASN HD22 H 7.990 . . 725 90 90 ASN C C 177.660 . . 726 90 90 ASN CA C 58.430 . . 727 90 90 ASN CB C 39.480 . . 728 90 90 ASN N N 126.684 . . 729 90 90 ASN ND2 N 116.135 . . 730 91 91 SER H H 8.940 . . 731 91 91 SER HA H 4.340 . . 732 91 91 SER HB2 H 3.959 . . 733 91 91 SER HB3 H 3.890 . . 734 91 91 SER C C 174.530 . . 735 91 91 SER CA C 59.530 . . 736 91 91 SER CB C 63.620 . . 737 91 91 SER N N 110.530 . . 738 92 92 ASN H H 7.050 . . 739 92 92 ASN HA H 4.870 . . 740 92 92 ASN HB2 H 3.406 . . 741 92 92 ASN HB3 H 2.727 . . 742 92 92 ASN HD21 H 7.194 . . 743 92 92 ASN HD22 H 6.807 . . 744 92 92 ASN CA C 51.430 . . 745 92 92 ASN CB C 38.240 . . 746 92 92 ASN N N 113.470 . . 747 92 92 ASN ND2 N 112.526 . . 748 93 93 PRO HA H 4.380 . . 749 93 93 PRO HB2 H 1.860 . . 750 93 93 PRO HB3 H 2.430 . . 751 93 93 PRO HG2 H 2.040 . . 752 93 93 PRO HG3 H 1.940 . . 753 93 93 PRO HD2 H 3.895 . . 754 93 93 PRO HD3 H 3.640 . . 755 93 93 PRO C C 176.280 . . 756 93 93 PRO CA C 64.400 . . 757 93 93 PRO CB C 32.640 . . 758 93 93 PRO CG C 26.990 . . 759 93 93 PRO CD C 51.070 . . 760 94 94 ASN H H 7.600 . . 761 94 94 ASN HA H 4.390 . . 762 94 94 ASN HB2 H 2.809 . . 763 94 94 ASN HB3 H 2.700 . . 764 94 94 ASN HD21 H 7.430 . . 765 94 94 ASN HD22 H 6.880 . . 766 94 94 ASN C C 174.520 . . 767 94 94 ASN CA C 54.030 . . 768 94 94 ASN CB C 37.680 . . 769 94 94 ASN N N 112.480 . . 770 94 94 ASN ND2 N 112.960 . . 771 95 95 ASP H H 7.200 . . 772 95 95 ASP HA H 5.220 . . 773 95 95 ASP HB2 H 2.680 . . 774 95 95 ASP HB3 H 2.240 . . 775 95 95 ASP C C 175.650 . . 776 95 95 ASP CA C 54.260 . . 777 95 95 ASP CB C 39.660 . . 778 95 95 ASP N N 122.640 . . 779 96 96 THR H H 7.950 . . 780 96 96 THR HA H 4.640 . . 781 96 96 THR HB H 3.780 . . 782 96 96 THR HG2 H 0.940 . . 783 96 96 THR C C 171.520 . . 784 96 96 THR CA C 57.770 . . 785 96 96 THR CB C 71.200 . . 786 96 96 THR CG2 C 18.470 . . 787 96 96 THR N N 117.040 . . 788 97 97 MET H H 6.930 . . 789 97 97 MET HA H 4.070 . . 790 97 97 MET HB2 H 2.640 . . 791 97 97 MET HB3 H 2.390 . . 792 97 97 MET HG2 H 1.990 . . 793 97 97 MET HG3 H 1.230 . . 794 97 97 MET HE H 1.960 . . 795 97 97 MET C C 175.020 . . 796 97 97 MET CA C 56.240 . . 797 97 97 MET CB C 35.050 . . 798 97 97 MET CG C 34.180 . . 799 97 97 MET CE C 18.250 . . 800 97 97 MET N N 115.440 . . 801 98 98 GLN H H 8.670 . . 802 98 98 GLN HA H 4.070 . . 803 98 98 GLN HB2 H 2.339 . . 804 98 98 GLN HB3 H 1.537 . . 805 98 98 GLN HG2 H 2.486 . . 806 98 98 GLN HG3 H 2.246 . . 807 98 98 GLN HE21 H 7.538 . . 808 98 98 GLN HE22 H 6.810 . . 809 98 98 GLN C C 177.640 . . 810 98 98 GLN CA C 59.300 . . 811 98 98 GLN CB C 29.560 . . 812 98 98 GLN CG C 32.850 . . 813 98 98 GLN N N 120.690 . . 814 98 98 GLN NE2 N 113.810 . . 815 99 99 LYS H H 6.940 . . 816 99 99 LYS HA H 5.260 . . 817 99 99 LYS HB2 H 1.610 . . 818 99 99 LYS HB3 H 1.610 . . 819 99 99 LYS HG2 H 1.470 . . 820 99 99 LYS HG3 H 1.263 . . 821 99 99 LYS HD2 H 1.565 . . 822 99 99 LYS HD3 H 1.467 . . 823 99 99 LYS HE2 H 2.880 . . 824 99 99 LYS HE3 H 2.831 . . 825 99 99 LYS C C 176.280 . . 826 99 99 LYS CA C 55.330 . . 827 99 99 LYS CB C 37.680 . . 828 99 99 LYS CG C 26.050 . . 829 99 99 LYS CD C 29.340 . . 830 99 99 LYS CE C 41.420 . . 831 99 99 LYS N N 113.820 . . 832 100 100 ALA H H 8.880 . . 833 100 100 ALA HA H 5.590 . . 834 100 100 ALA HB H 1.230 . . 835 100 100 ALA C C 174.640 . . 836 100 100 ALA CA C 51.730 . . 837 100 100 ALA CB C 27.000 . . 838 100 100 ALA N N 126.360 . . 839 101 101 LYS H H 8.810 . . 840 101 101 LYS HA H 5.190 . . 841 101 101 LYS HB2 H 2.130 . . 842 101 101 LYS HB3 H 1.861 . . 843 101 101 LYS HG2 H 1.225 . . 844 101 101 LYS HG3 H 0.895 . . 845 101 101 LYS HD2 H 1.676 . . 846 101 101 LYS HD3 H 1.460 . . 847 101 101 LYS C C 173.900 . . 848 101 101 LYS CA C 54.580 . . 849 101 101 LYS CB C 37.460 . . 850 101 101 LYS CG C 24.150 . . 851 101 101 LYS CD C 30.230 . . 852 101 101 LYS N N 114.800 . . 853 102 102 ILE H H 8.820 . . 854 102 102 ILE HA H 5.060 . . 855 102 102 ILE HB H 1.820 . . 856 102 102 ILE HG12 H 1.790 . . 857 102 102 ILE HG13 H 0.770 . . 858 102 102 ILE HG2 H 1.190 . . 859 102 102 ILE HD1 H 1.000 . . 860 102 102 ILE C C 176.650 . . 861 102 102 ILE CA C 60.960 . . 862 102 102 ILE CB C 39.530 . . 863 102 102 ILE CG1 C 29.120 . . 864 102 102 ILE CG2 C 19.180 . . 865 102 102 ILE CD1 C 13.860 . . 866 102 102 ILE N N 120.680 . . 867 103 103 GLN H H 9.680 . . 868 103 103 GLN HA H 5.720 . . 869 103 103 GLN HB2 H 2.210 . . 870 103 103 GLN HB3 H 1.940 . . 871 103 103 GLN HG2 H 2.660 . . 872 103 103 GLN HG3 H 1.975 . . 873 103 103 GLN HE21 H 7.805 . . 874 103 103 GLN HE22 H 6.937 . . 875 103 103 GLN C C 174.030 . . 876 103 103 GLN CA C 54.480 . . 877 103 103 GLN CB C 36.810 . . 878 103 103 GLN CG C 33.940 . . 879 103 103 GLN N N 124.530 . . 880 103 103 GLN NE2 N 112.198 . . 881 104 104 TYR H H 9.930 . . 882 104 104 TYR HA H 5.860 . . 883 104 104 TYR HB2 H 3.360 . . 884 104 104 TYR HB3 H 2.870 . . 885 104 104 TYR HD1 H 6.740 . . 886 104 104 TYR HE1 H 6.705 . . 887 104 104 TYR C C 171.630 . . 888 104 104 TYR CA C 56.240 . . 889 104 104 TYR CB C 42.070 . . 890 104 104 TYR CD1 C 133.180 . . 891 104 104 TYR CE1 C 118.176 . . 892 104 104 TYR N N 118.370 . . 893 105 105 THR H H 7.410 . . 894 105 105 THR HA H 4.590 . . 895 105 105 THR HB H 1.610 . . 896 105 105 THR HG2 H -0.190 . . 897 105 105 THR C C 172.520 . . 898 105 105 THR CA C 58.130 . . 899 105 105 THR CB C 69.550 . . 900 105 105 THR CG2 C 17.380 . . 901 105 105 THR N N 112.700 . . 902 106 106 VAL H H 9.790 . . 903 106 106 VAL HA H 4.190 . . 904 106 106 VAL HB H 2.110 . . 905 106 106 VAL HG1 H 1.030 . . 906 106 106 VAL HG2 H 1.200 . . 907 106 106 VAL C C 176.520 . . 908 106 106 VAL CA C 64.790 . . 909 106 106 VAL CB C 33.070 . . 910 106 106 VAL CG1 C 20.670 . . 911 106 106 VAL CG2 C 21.110 . . 912 106 106 VAL N N 130.210 . . 913 107 107 ASP H H 8.160 . . 914 107 107 ASP HA H 4.490 . . 915 107 107 ASP HB2 H 3.010 . . 916 107 107 ASP HB3 H 2.610 . . 917 107 107 ASP C C 178.020 . . 918 107 107 ASP CA C 53.160 . . 919 107 107 ASP CB C 41.630 . . 920 107 107 ASP N N 117.390 . . 921 108 108 GLY H H 8.200 . . 922 108 108 GLY HA2 H 4.160 . . 923 108 108 GLY HA3 H 3.010 . . 924 108 108 GLY C C 172.270 . . 925 108 108 GLY CA C 45.110 . . 926 108 108 GLY N N 109.900 . . 927 109 109 ARG H H 8.590 . . 928 109 109 ARG HA H 4.360 . . 929 109 109 ARG HB2 H 1.760 . . 930 109 109 ARG HB3 H 1.630 . . 931 109 109 ARG HG2 H 1.440 . . 932 109 109 ARG HG3 H 1.440 . . 933 109 109 ARG HD2 H 3.140 . . 934 109 109 ARG HD3 H 3.140 . . 935 109 109 ARG C C 175.140 . . 936 109 109 ARG CA C 57.530 . . 937 109 109 ARG CB C 33.080 . . 938 109 109 ARG CG C 27.360 . . 939 109 109 ARG CD C 43.230 . . 940 109 109 ARG N N 121.800 . . 941 110 110 GLU H H 9.500 . . 942 110 110 GLU HA H 4.590 . . 943 110 110 GLU HB2 H 1.910 . . 944 110 110 GLU HB3 H 1.910 . . 945 110 110 GLU HG2 H 2.220 . . 946 110 110 GLU HG3 H 2.090 . . 947 110 110 GLU C C 177.020 . . 948 110 110 GLU CA C 54.920 . . 949 110 110 GLU CB C 30.440 . . 950 110 110 GLU CG C 35.930 . . 951 110 110 GLU N N 121.660 . . 952 111 111 TRP H H 9.120 . . 953 111 111 TRP HA H 4.690 . . 954 111 111 TRP HB2 H 2.640 . . 955 111 111 TRP HB3 H 2.530 . . 956 111 111 TRP HD1 H 6.970 . . 957 111 111 TRP HE1 H 9.820 . . 958 111 111 TRP HE3 H 6.779 . . 959 111 111 TRP HZ2 H 7.023 . . 960 111 111 TRP HZ3 H 6.540 . . 961 111 111 TRP HH2 H 6.622 . . 962 111 111 TRP C C 174.900 . . 963 111 111 TRP CA C 56.910 . . 964 111 111 TRP CB C 30.440 . . 965 111 111 TRP CD1 C 128.490 . . 966 111 111 TRP CE3 C 119.113 . . 967 111 111 TRP CZ2 C 114.426 . . 968 111 111 TRP CZ3 C 120.436 . . 969 111 111 TRP CH2 C 122.113 . . 970 111 111 TRP N N 130.620 . . 971 111 111 TRP NE1 N 130.710 . . 972 112 112 ILE H H 9.250 . . 973 112 112 ILE HA H 4.150 . . 974 112 112 ILE HB H 0.750 . . 975 112 112 ILE HG12 H 1.040 . . 976 112 112 ILE HG13 H 0.740 . . 977 112 112 ILE HG2 H 0.890 . . 978 112 112 ILE HD1 H 0.640 . . 979 112 112 ILE C C 175.060 . . 980 112 112 ILE CA C 60.180 . . 981 112 112 ILE CB C 41.200 . . 982 112 112 ILE CG1 C 26.930 . . 983 112 112 ILE CG2 C 17.370 . . 984 112 112 ILE CD1 C 13.250 . . 985 112 112 ILE N N 123.940 . . 986 113 113 ASP H H 8.780 . . 987 113 113 ASP HA H 4.710 . . 988 113 113 ASP HB2 H 2.980 . . 989 113 113 ASP HB3 H 2.650 . . 990 113 113 ASP C C 176.010 . . 991 113 113 ASP CA C 55.870 . . 992 113 113 ASP CB C 39.000 . . 993 113 113 ASP N N 126.910 . . 994 114 114 LEU H H 8.530 . . 995 114 114 LEU HA H 4.460 . . 996 114 114 LEU HB2 H 1.870 . . 997 114 114 LEU HB3 H 1.420 . . 998 114 114 LEU HD1 H 0.840 . . 999 114 114 LEU HD2 H 0.959 . . 1000 114 114 LEU C C 176.270 . . 1001 114 114 LEU CA C 57.610 . . 1002 114 114 LEU CB C 44.670 . . 1003 114 114 LEU CD1 C 24.710 . . 1004 114 114 LEU CD2 C 26.489 . . 1005 114 114 LEU N N 124.460 . . 1006 115 115 GLU H H 9.110 . . 1007 115 115 GLU HA H 4.654 . . 1008 115 115 GLU HB2 H 2.117 . . 1009 115 115 GLU HB3 H 2.025 . . 1010 115 115 GLU HG2 H 2.250 . . 1011 115 115 GLU HG3 H 2.110 . . 1012 115 115 GLU C C 174.900 . . 1013 115 115 GLU CA C 55.220 . . 1014 115 115 GLU CB C 32.416 . . 1015 115 115 GLU CG C 37.680 . . 1016 115 115 GLU N N 117.460 . . 1017 116 116 GLU H H 8.710 . . 1018 116 116 GLU HA H 4.250 . . 1019 116 116 GLU HB2 H 2.030 . . 1020 116 116 GLU HB3 H 2.030 . . 1021 116 116 GLU HG2 H 2.300 . . 1022 116 116 GLU HG3 H 2.300 . . 1023 116 116 GLU C C 177.410 . . 1024 116 116 GLU CA C 57.550 . . 1025 116 116 GLU CB C 29.120 . . 1026 116 116 GLU CG C 36.180 . . 1027 116 116 GLU N N 123.500 . . 1028 117 117 GLY H H 8.630 . . 1029 117 117 GLY HA2 H 4.060 . . 1030 117 117 GLY HA3 H 3.790 . . 1031 117 117 GLY C C 174.150 . . 1032 117 117 GLY CA C 46.030 . . 1033 117 117 GLY N N 113.120 . . 1034 118 118 VAL H H 7.550 . . 1035 118 118 VAL HA H 3.980 . . 1036 118 118 VAL HB H 1.870 . . 1037 118 118 VAL HG1 H 0.510 . . 1038 118 118 VAL HG2 H 0.780 . . 1039 118 118 VAL C C 175.150 . . 1040 118 118 VAL CA C 63.250 . . 1041 118 118 VAL CB C 32.200 . . 1042 118 118 VAL CG1 C 20.010 . . 1043 118 118 VAL CG2 C 20.670 . . 1044 118 118 VAL N N 121.260 . . 1045 119 119 GLU H H 8.150 . . 1046 119 119 GLU HA H 4.780 . . 1047 119 119 GLU HB2 H 1.880 . . 1048 119 119 GLU HB3 H 1.650 . . 1049 119 119 GLU HG2 H 2.080 . . 1050 119 119 GLU HG3 H 2.000 . . 1051 119 119 GLU C C 175.020 . . 1052 119 119 GLU CA C 54.200 . . 1053 119 119 GLU CB C 34.170 . . 1054 119 119 GLU CG C 37.440 . . 1055 119 119 GLU N N 127.190 . . 1056 120 120 TYR H H 9.330 . . 1057 120 120 TYR HA H 4.660 . . 1058 120 120 TYR HB2 H 3.120 . . 1059 120 120 TYR HB3 H 2.380 . . 1060 120 120 TYR HD1 H 7.050 . . 1061 120 120 TYR HE1 H 6.830 . . 1062 120 120 TYR C C 175.640 . . 1063 120 120 TYR CA C 57.510 . . 1064 120 120 TYR CB C 40.320 . . 1065 120 120 TYR CD1 C 133.180 . . 1066 120 120 TYR CE1 C 118.360 . . 1067 120 120 TYR N N 122.080 . . 1068 121 121 THR H H 8.880 . . 1069 121 121 THR HA H 4.760 . . 1070 121 121 THR HB H 4.080 . . 1071 121 121 THR HG2 H 1.310 . . 1072 121 121 THR C C 173.900 . . 1073 121 121 THR CA C 62.920 . . 1074 121 121 THR CB C 69.610 . . 1075 121 121 THR CG2 C 21.110 . . 1076 121 121 THR N N 120.870 . . 1077 122 122 MET H H 8.670 . . 1078 122 122 MET HA H 5.210 . . 1079 122 122 MET HG2 H 2.690 . . 1080 122 122 MET HG3 H 2.430 . . 1081 122 122 MET HE H 1.970 . . 1082 122 122 MET CA C 54.519 . . 1083 122 122 MET CB C 35.050 . . 1084 122 122 MET CG C 31.540 . . 1085 122 122 MET CE C 15.840 . . 1086 122 122 MET N N 123.060 . . 1087 123 123 PRO HA H 4.110 . . 1088 123 123 PRO HB2 H 1.520 . . 1089 123 123 PRO HB3 H 1.840 . . 1090 123 123 PRO HG2 H 1.794 . . 1091 123 123 PRO HG3 H 1.555 . . 1092 123 123 PRO HD2 H 4.488 . . 1093 123 123 PRO HD3 H 3.090 . . 1094 123 123 PRO C C 176.920 . . 1095 123 123 PRO CA C 63.580 . . 1096 123 123 PRO CB C 32.640 . . 1097 123 123 PRO CG C 27.587 . . 1098 123 123 PRO CD C 49.570 . . 1099 124 124 GLY H H 8.530 . . 1100 124 124 GLY HA2 H 4.322 . . 1101 124 124 GLY HA3 H 3.465 . . 1102 124 124 GLY C C 172.580 . . 1103 124 124 GLY CA C 45.590 . . 1104 124 124 GLY N N 112.280 . . 1105 125 125 ALA H H 8.390 . . 1106 125 125 ALA HA H 5.160 . . 1107 125 125 ALA HB H 1.340 . . 1108 125 125 ALA C C 176.900 . . 1109 125 125 ALA CA C 51.734 . . 1110 125 125 ALA CB C 19.270 . . 1111 125 125 ALA N N 129.010 . . 1112 126 126 ILE H H 8.640 . . 1113 126 126 ILE HA H 4.410 . . 1114 126 126 ILE HB H 1.501 . . 1115 126 126 ILE HG12 H 1.280 . . 1116 126 126 ILE HG13 H 0.680 . . 1117 126 126 ILE HG2 H 0.390 . . 1118 126 126 ILE HD1 H 0.250 . . 1119 126 126 ILE C C 174.020 . . 1120 126 126 ILE CA C 59.910 . . 1121 126 126 ILE CB C 41.550 . . 1122 126 126 ILE CG1 C 26.050 . . 1123 126 126 ILE CG2 C 18.320 . . 1124 126 126 ILE CD1 C 14.310 . . 1125 126 126 ILE N N 123.070 . . 1126 127 127 LYS H H 8.570 . . 1127 127 127 LYS HA H 5.500 . . 1128 127 127 LYS HB2 H 1.830 . . 1129 127 127 LYS HB3 H 1.680 . . 1130 127 127 LYS HG2 H 1.310 . . 1131 127 127 LYS HG3 H 1.160 . . 1132 127 127 LYS HD2 H 1.604 . . 1133 127 127 LYS HD3 H 1.604 . . 1134 127 127 LYS HE2 H 2.770 . . 1135 127 127 LYS HE3 H 2.770 . . 1136 127 127 LYS C C 174.900 . . 1137 127 127 LYS CA C 55.200 . . 1138 127 127 LYS CB C 36.370 . . 1139 127 127 LYS CG C 24.950 . . 1140 127 127 LYS CD C 29.560 . . 1141 127 127 LYS CE C 41.600 . . 1142 127 127 LYS N N 125.370 . . 1143 128 128 VAL H H 8.910 . . 1144 128 128 VAL HA H 4.450 . . 1145 128 128 VAL HB H 1.830 . . 1146 128 128 VAL HG1 H 0.946 . . 1147 128 128 VAL HG2 H 1.090 . . 1148 128 128 VAL C C 174.470 . . 1149 128 128 VAL CA C 62.200 . . 1150 128 128 VAL CB C 34.430 . . 1151 128 128 VAL CG1 C 21.110 . . 1152 128 128 VAL CG2 C 22.200 . . 1153 128 128 VAL N N 125.860 . . 1154 129 129 GLU H H 8.710 . . 1155 129 129 GLU HA H 4.992 . . 1156 129 129 GLU HB2 H 2.050 . . 1157 129 129 GLU HB3 H 2.050 . . 1158 129 129 GLU HG2 H 2.110 . . 1159 129 129 GLU HG3 H 2.110 . . 1160 129 129 GLU C C 174.150 . . 1161 129 129 GLU CA C 54.560 . . 1162 129 129 GLU CB C 34.220 . . 1163 129 129 GLU CG C 36.380 . . 1164 129 129 GLU N N 123.760 . . 1165 130 130 ASN H H 8.920 . . 1166 130 130 ASN HA H 4.410 . . 1167 130 130 ASN HB2 H 3.042 . . 1168 130 130 ASN HB3 H 2.960 . . 1169 130 130 ASN HD21 H 7.700 . . 1170 130 130 ASN HD22 H 6.971 . . 1171 130 130 ASN C C 174.890 . . 1172 130 130 ASN CA C 54.910 . . 1173 130 130 ASN CB C 37.030 . . 1174 130 130 ASN N N 112.840 . . 1175 130 130 ASN ND2 N 114.823 . . 1176 131 131 LEU H H 8.630 . . 1177 131 131 LEU HA H 4.510 . . 1178 131 131 LEU HB2 H 1.490 . . 1179 131 131 LEU HB3 H 1.100 . . 1180 131 131 LEU HG H 1.320 . . 1181 131 131 LEU HD1 H 0.580 . . 1182 131 131 LEU HD2 H 0.770 . . 1183 131 131 LEU C C 177.140 . . 1184 131 131 LEU CA C 54.040 . . 1185 131 131 LEU CB C 44.140 . . 1186 131 131 LEU CG C 26.450 . . 1187 131 131 LEU CD1 C 26.050 . . 1188 131 131 LEU CD2 C 21.990 . . 1189 131 131 LEU N N 117.600 . . 1190 132 132 ASP H H 8.410 . . 1191 132 132 ASP HA H 4.480 . . 1192 132 132 ASP HB2 H 2.600 . . 1193 132 132 ASP HB3 H 2.430 . . 1194 132 132 ASP C C 174.130 . . 1195 132 132 ASP CA C 53.800 . . 1196 132 132 ASP CB C 40.310 . . 1197 132 132 ASP N N 121.170 . . 1198 133 133 LEU H H 7.460 . . 1199 133 133 LEU HA H 4.680 . . 1200 133 133 LEU HB2 H 1.250 . . 1201 133 133 LEU HB3 H 1.160 . . 1202 133 133 LEU HG H 1.310 . . 1203 133 133 LEU HD1 H 0.490 . . 1204 133 133 LEU HD2 H 0.250 . . 1205 133 133 LEU C C 175.650 . . 1206 133 133 LEU CA C 53.600 . . 1207 133 133 LEU CB C 47.060 . . 1208 133 133 LEU CG C 26.640 . . 1209 133 133 LEU CD1 C 23.830 . . 1210 133 133 LEU CD2 C 24.600 . . 1211 133 133 LEU N N 122.500 . . 1212 134 134 LYS H H 8.230 . . 1213 134 134 LYS HA H 5.180 . . 1214 134 134 LYS HB2 H 1.750 . . 1215 134 134 LYS HB3 H 1.610 . . 1216 134 134 LYS HG2 H 1.320 . . 1217 134 134 LYS HG3 H 1.320 . . 1218 134 134 LYS HD2 H 1.550 . . 1219 134 134 LYS HD3 H 1.490 . . 1220 134 134 LYS HE2 H 2.820 . . 1221 134 134 LYS HE3 H 2.820 . . 1222 134 134 LYS C C 177.020 . . 1223 134 134 LYS CA C 55.600 . . 1224 134 134 LYS CB C 32.050 . . 1225 134 134 LYS CG C 24.810 . . 1226 134 134 LYS CD C 28.880 . . 1227 134 134 LYS CE C 42.600 . . 1228 134 134 LYS N N 124.670 . . 1229 135 135 VAL H H 8.930 . . 1230 135 135 VAL HA H 5.220 . . 1231 135 135 VAL HB H 2.760 . . 1232 135 135 VAL HG1 H 0.750 . . 1233 135 135 VAL HG2 H 0.819 . . 1234 135 135 VAL C C 174.400 . . 1235 135 135 VAL CA C 59.310 . . 1236 135 135 VAL CB C 36.160 . . 1237 135 135 VAL CG1 C 20.282 . . 1238 135 135 VAL CG2 C 23.554 . . 1239 135 135 VAL N N 114.590 . . 1240 136 136 ARG H H 9.260 . . 1241 136 136 ARG HA H 4.630 . . 1242 136 136 ARG HB2 H 2.194 . . 1243 136 136 ARG HB3 H 0.940 . . 1244 136 136 ARG HG2 H 1.160 . . 1245 136 136 ARG HG3 H 1.160 . . 1246 136 136 ARG HD2 H 3.050 . . 1247 136 136 ARG HD3 H 2.850 . . 1248 136 136 ARG C C 175.900 . . 1249 136 136 ARG CA C 55.800 . . 1250 136 136 ARG CB C 31.900 . . 1251 136 136 ARG CG C 29.500 . . 1252 136 136 ARG CD C 42.820 . . 1253 136 136 ARG N N 115.130 . . 1254 137 137 GLY H H 7.590 . . 1255 137 137 GLY HA2 H 4.890 . . 1256 137 137 GLY HA3 H 4.180 . . 1257 137 137 GLY C C 171.400 . . 1258 137 137 GLY CA C 47.780 . . 1259 137 137 GLY N N 107.240 . . 1260 138 138 VAL H H 9.290 . . 1261 138 138 VAL HA H 5.810 . . 1262 138 138 VAL HB H 2.310 . . 1263 138 138 VAL HG1 H 1.237 . . 1264 138 138 VAL HG2 H 1.221 . . 1265 138 138 VAL C C 173.020 . . 1266 138 138 VAL CA C 61.300 . . 1267 138 138 VAL CB C 36.590 . . 1268 138 138 VAL CG1 C 20.520 . . 1269 138 138 VAL CG2 C 21.319 . . 1270 138 138 VAL N N 116.620 . . 1271 139 139 ARG H H 9.780 . . 1272 139 139 ARG HA H 5.550 . . 1273 139 139 ARG HB2 H 1.390 . . 1274 139 139 ARG HB3 H 1.070 . . 1275 139 139 ARG HD2 H 0.810 . . 1276 139 139 ARG HD3 H -0.690 . . 1277 139 139 ARG C C 170.150 . . 1278 139 139 ARG CA C 54.920 . . 1279 139 139 ARG CB C 32.930 . . 1280 139 139 ARG CG C 24.896 . . 1281 139 139 ARG CD C 40.595 . . 1282 139 139 ARG N N 120.540 . . 1283 140 140 LEU H H 9.010 . . 1284 140 140 LEU HA H 4.660 . . 1285 140 140 LEU HB2 H 1.390 . . 1286 140 140 LEU HB3 H -0.391 . . 1287 140 140 LEU HG H 1.060 . . 1288 140 140 LEU HD1 H 0.280 . . 1289 140 140 LEU HD2 H 0.541 . . 1290 140 140 LEU C C 174.228 . . 1291 140 140 LEU CA C 53.820 . . 1292 140 140 LEU CB C 44.000 . . 1293 140 140 LEU CG C 26.489 . . 1294 140 140 LEU CD1 C 24.733 . . 1295 140 140 LEU CD2 C 26.928 . . 1296 140 140 LEU N N 124.810 . . 1297 141 141 ILE H H 9.120 . . 1298 141 141 ILE HA H 5.220 . . 1299 141 141 ILE HB H 0.930 . . 1300 141 141 ILE HG12 H 1.210 . . 1301 141 141 ILE HG13 H 0.876 . . 1302 141 141 ILE HG2 H 0.740 . . 1303 141 141 ILE HD1 H 0.610 . . 1304 141 141 ILE C C 172.650 . . 1305 141 141 ILE CA C 57.990 . . 1306 141 141 ILE CB C 44.400 . . 1307 141 141 ILE CG1 C 29.200 . . 1308 141 141 ILE CG2 C 14.570 . . 1309 141 141 ILE CD1 C 14.070 . . 1310 141 141 ILE N N 125.540 . . 1311 142 142 ALA H H 8.880 . . 1312 142 142 ALA HA H 5.050 . . 1313 142 142 ALA HB H 1.600 . . 1314 142 142 ALA C C 180.020 . . 1315 142 142 ALA CA C 52.170 . . 1316 142 142 ALA CB C 18.690 . . 1317 142 142 ALA N N 128.380 . . 1318 143 143 THR H H 9.120 . . 1319 143 143 THR HA H 4.440 . . 1320 143 143 THR HB H 4.360 . . 1321 143 143 THR HG2 H 1.087 . . 1322 143 143 THR C C 174.200 . . 1323 143 143 THR CA C 62.200 . . 1324 143 143 THR CB C 68.350 . . 1325 143 143 THR CG2 C 22.650 . . 1326 143 143 THR N N 116.410 . . 1327 144 144 GLU H H 7.410 . . 1328 144 144 GLU HA H 4.450 . . 1329 144 144 GLU HB2 H 1.860 . . 1330 144 144 GLU HB3 H 1.790 . . 1331 144 144 GLU HG2 H 2.430 . . 1332 144 144 GLU HG3 H 2.360 . . 1333 144 144 GLU C C 174.400 . . 1334 144 144 GLU CA C 55.880 . . 1335 144 144 GLU CB C 34.600 . . 1336 144 144 GLU CG C 36.550 . . 1337 144 144 GLU N N 120.400 . . 1338 145 145 ALA H H 9.010 . . 1339 145 145 ALA HA H 4.630 . . 1340 145 145 ALA HB H 1.520 . . 1341 145 145 ALA C C 175.890 . . 1342 145 145 ALA CA C 51.950 . . 1343 145 145 ALA CB C 20.450 . . 1344 145 145 ALA N N 128.240 . . 1345 146 146 ARG H H 8.200 . . 1346 146 146 ARG HA H 4.610 . . 1347 146 146 ARG HB2 H 1.950 . . 1348 146 146 ARG HB3 H 1.670 . . 1349 146 146 ARG HG2 H 2.230 . . 1350 146 146 ARG HG3 H 1.390 . . 1351 146 146 ARG HD2 H 3.720 . . 1352 146 146 ARG HD3 H 3.270 . . 1353 146 146 ARG C C 174.020 . . 1354 146 146 ARG CA C 56.240 . . 1355 146 146 ARG CB C 36.150 . . 1356 146 146 ARG CG C 27.800 . . 1357 146 146 ARG CD C 42.950 . . 1358 146 146 ARG N N 118.090 . . 1359 147 147 GLU H H 8.680 . . 1360 147 147 GLU HA H 4.600 . . 1361 147 147 GLU HG2 H 2.080 . . 1362 147 147 GLU HG3 H 1.840 . . 1363 147 147 GLU C C 174.780 . . 1364 147 147 GLU CA C 54.750 . . 1365 147 147 GLU CB C 31.800 . . 1366 147 147 GLU CG C 31.760 . . 1367 147 147 GLU N N 125.720 . . 1368 148 148 ASN H H 8.750 . . 1369 148 148 ASN HA H 4.420 . . 1370 148 148 ASN HB2 H 2.910 . . 1371 148 148 ASN HB3 H 2.680 . . 1372 148 148 ASN HD21 H 7.550 . . 1373 148 148 ASN HD22 H 6.820 . . 1374 148 148 ASN C C 173.650 . . 1375 148 148 ASN CA C 54.300 . . 1376 148 148 ASN CB C 37.030 . . 1377 148 148 ASN N N 119.350 . . 1378 148 148 ASN ND2 N 113.510 . . 1379 149 149 THR H H 7.970 . . 1380 149 149 THR HA H 4.580 . . 1381 149 149 THR HB H 3.540 . . 1382 149 149 THR HG2 H 0.750 . . 1383 149 149 THR C C 170.260 . . 1384 149 149 THR CA C 61.290 . . 1385 149 149 THR CB C 70.500 . . 1386 149 149 THR CG2 C 20.590 . . 1387 149 149 THR N N 113.470 . . 1388 150 150 TRP H H 7.900 . . 1389 150 150 TRP HA H 5.400 . . 1390 150 150 TRP HB2 H 3.000 . . 1391 150 150 TRP HB3 H 2.950 . . 1392 150 150 TRP HD1 H 7.070 . . 1393 150 150 TRP HE1 H 10.310 . . 1394 150 150 TRP HE3 H 7.500 . . 1395 150 150 TRP HZ2 H 7.470 . . 1396 150 150 TRP HZ3 H 7.080 . . 1397 150 150 TRP HH2 H 7.210 . . 1398 150 150 TRP C C 175.400 . . 1399 150 150 TRP CA C 52.390 . . 1400 150 150 TRP CB C 30.680 . . 1401 150 150 TRP CD1 C 123.239 . . 1402 150 150 TRP CE3 C 122.250 . . 1403 150 150 TRP CZ2 C 114.230 . . 1404 150 150 TRP CZ3 C 121.600 . . 1405 150 150 TRP CH2 C 124.500 . . 1406 150 150 TRP N N 122.710 . . 1407 150 150 TRP NE1 N 127.720 . . 1408 151 151 LEU H H 8.280 . . 1409 151 151 LEU HA H 4.550 . . 1410 151 151 LEU HB2 H 1.930 . . 1411 151 151 LEU HB3 H 1.180 . . 1412 151 151 LEU HG H 1.500 . . 1413 151 151 LEU HD1 H 0.510 . . 1414 151 151 LEU HD2 H 0.860 . . 1415 151 151 LEU C C 174.140 . . 1416 151 151 LEU CA C 54.190 . . 1417 151 151 LEU CB C 43.610 . . 1418 151 151 LEU CG C 27.810 . . 1419 151 151 LEU CD1 C 25.320 . . 1420 151 151 LEU CD2 C 23.260 . . 1421 151 151 LEU N N 119.350 . . 1422 152 152 GLY H H 8.790 . . 1423 152 152 GLY HA2 H 5.450 . . 1424 152 152 GLY HA3 H 3.100 . . 1425 152 152 GLY C C 171.890 . . 1426 152 152 GLY CA C 44.050 . . 1427 152 152 GLY N N 114.520 . . 1428 153 153 VAL H H 8.950 . . 1429 153 153 VAL HA H 4.620 . . 1430 153 153 VAL HB H 2.100 . . 1431 153 153 VAL HG1 H 1.070 . . 1432 153 153 VAL HG2 H 1.070 . . 1433 153 153 VAL C C 174.780 . . 1434 153 153 VAL CA C 61.940 . . 1435 153 153 VAL CB C 34.610 . . 1436 153 153 VAL CG1 C 20.890 . . 1437 153 153 VAL CG2 C 20.890 . . 1438 153 153 VAL N N 122.240 . . 1439 154 154 ARG H H 9.320 . . 1440 154 154 ARG HA H 4.510 . . 1441 154 154 ARG HB2 H 2.008 . . 1442 154 154 ARG HB3 H 1.712 . . 1443 154 154 ARG HG2 H 2.005 . . 1444 154 154 ARG HG3 H 1.620 . . 1445 154 154 ARG HD2 H 3.230 . . 1446 154 154 ARG HD3 H 2.830 . . 1447 154 154 ARG C C 176.150 . . 1448 154 154 ARG CA C 57.770 . . 1449 154 154 ARG CB C 30.660 . . 1450 154 154 ARG CG C 28.710 . . 1451 154 154 ARG CD C 43.830 . . 1452 154 154 ARG N N 125.650 . . 1453 155 155 ASP H H 7.700 . . 1454 155 155 ASP HA H 4.910 . . 1455 155 155 ASP HB2 H 2.520 . . 1456 155 155 ASP HB3 H 2.190 . . 1457 155 155 ASP C C 175.150 . . 1458 155 155 ASP CA C 56.680 . . 1459 155 155 ASP CB C 48.000 . . 1460 155 155 ASP N N 118.570 . . 1461 156 156 ILE H H 8.280 . . 1462 156 156 ILE HA H 4.260 . . 1463 156 156 ILE HB H 1.400 . . 1464 156 156 ILE HG12 H 1.504 . . 1465 156 156 ILE HG13 H 0.960 . . 1466 156 156 ILE HG2 H 0.142 . . 1467 156 156 ILE HD1 H 0.984 . . 1468 156 156 ILE C C 174.150 . . 1469 156 156 ILE CA C 62.780 . . 1470 156 156 ILE CB C 38.500 . . 1471 156 156 ILE CG1 C 26.780 . . 1472 156 156 ILE CG2 C 15.400 . . 1473 156 156 ILE CD1 C 13.210 . . 1474 156 156 ILE N N 118.510 . . 1475 157 157 ASN H H 9.010 . . 1476 157 157 ASN HA H 5.030 . . 1477 157 157 ASN HB2 H 2.850 . . 1478 157 157 ASN HB3 H 2.380 . . 1479 157 157 ASN HD21 H 8.333 . . 1480 157 157 ASN HD22 H 6.898 . . 1481 157 157 ASN C C 174.150 . . 1482 157 157 ASN CA C 51.730 . . 1483 157 157 ASN CB C 40.370 . . 1484 157 157 ASN N N 123.960 . . 1485 157 157 ASN ND2 N 115.807 . . 1486 158 158 VAL H H 8.760 . . 1487 158 158 VAL HA H 4.370 . . 1488 158 158 VAL HB H 1.990 . . 1489 158 158 VAL HG1 H 0.870 . . 1490 158 158 VAL HG2 H 0.870 . . 1491 158 158 VAL C C 175.090 . . 1492 158 158 VAL CA C 61.770 . . 1493 158 158 VAL CB C 33.290 . . 1494 158 158 VAL CG1 C 20.850 . . 1495 158 158 VAL CG2 C 20.850 . . 1496 158 158 VAL N N 127.860 . . 1497 159 159 ASN H H 8.910 . . 1498 159 159 ASN HA H 4.320 . . 1499 159 159 ASN HB2 H 3.000 . . 1500 159 159 ASN HB3 H 3.000 . . 1501 159 159 ASN HD21 H 7.725 . . 1502 159 159 ASN HD22 H 7.495 . . 1503 159 159 ASN C C 174.770 . . 1504 159 159 ASN CA C 53.820 . . 1505 159 159 ASN CB C 35.490 . . 1506 159 159 ASN N N 127.820 . . 1507 159 159 ASN ND2 N 111.104 . . 1508 160 160 LYS H H 8.410 . . 1509 160 160 LYS HA H 4.150 . . 1510 160 160 LYS HB2 H 1.660 . . 1511 160 160 LYS HB3 H 1.520 . . 1512 160 160 LYS HG2 H 1.320 . . 1513 160 160 LYS HG3 H 1.260 . . 1514 160 160 LYS HD2 H 1.550 . . 1515 160 160 LYS HD3 H 1.500 . . 1516 160 160 LYS HE2 H 3.052 . . 1517 160 160 LYS HE3 H 2.850 . . 1518 160 160 LYS C C 177.120 . . 1519 160 160 LYS CA C 56.810 . . 1520 160 160 LYS CB C 33.270 . . 1521 160 160 LYS CG C 24.700 . . 1522 160 160 LYS CD C 28.980 . . 1523 160 160 LYS CE C 42.720 . . 1524 160 160 LYS N N 120.470 . . 1525 161 161 LYS H H 8.510 . . 1526 161 161 LYS HA H 4.370 . . 1527 161 161 LYS HB2 H 1.830 . . 1528 161 161 LYS HB3 H 1.730 . . 1529 161 161 LYS HG2 H 1.440 . . 1530 161 161 LYS HG3 H 1.440 . . 1531 161 161 LYS HD2 H 1.650 . . 1532 161 161 LYS HD3 H 1.650 . . 1533 161 161 LYS HE2 H 2.990 . . 1534 161 161 LYS HE3 H 2.990 . . 1535 161 161 LYS C C 176.250 . . 1536 161 161 LYS CA C 56.080 . . 1537 161 161 LYS CB C 33.560 . . 1538 161 161 LYS CG C 24.510 . . 1539 161 161 LYS CD C 28.870 . . 1540 161 161 LYS CE C 41.830 . . 1541 161 161 LYS N N 125.760 . . 1542 162 162 GLU H H 8.580 . . 1543 162 162 GLU HA H 4.290 . . 1544 162 162 GLU HB2 H 2.060 . . 1545 162 162 GLU HB3 H 1.910 . . 1546 162 162 GLU HG2 H 2.230 . . 1547 162 162 GLU HG3 H 2.230 . . 1548 162 162 GLU C C 176.050 . . 1549 162 162 GLU CA C 56.750 . . 1550 162 162 GLU CB C 30.440 . . 1551 162 162 GLU CG C 36.200 . . 1552 162 162 GLU N N 123.270 . . 1553 163 163 ASP H H 8.430 . . 1554 163 163 ASP HA H 4.640 . . 1555 163 163 ASP HB2 H 2.720 . . 1556 163 163 ASP HB3 H 2.590 . . 1557 163 163 ASP C C 175.300 . . 1558 163 163 ASP CA C 54.660 . . 1559 163 163 ASP CB C 41.170 . . 1560 163 163 ASP N N 121.900 . . 1561 164 164 SER H H 7.830 . . 1562 164 164 SER HA H 4.230 . . 1563 164 164 SER HB2 H 3.830 . . 1564 164 164 SER HB3 H 3.830 . . 1565 164 164 SER CA C 59.590 . . 1566 164 164 SER CB C 65.240 . . 1567 164 164 SER N N 121.010 . . stop_ save_