data_17633 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of BC28.1 ; _BMRB_accession_number 17633 _BMRB_flat_file_name bmr17633.str _Entry_type original _Submission_date 2011-05-09 _Accession_date 2011-05-09 _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 Roumestand Christian . . 2 Delbecq Stephane . . 3 Yang Yin-Shan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1197 "13C chemical shifts" 671 "15N chemical shifts" 224 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-04-06 update BMRB 'update entry citation' 2012-02-03 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural and Functional Characterization of Bc28.1, Major Erythrocyte-binding Protein from Babesia canis Merozoite Surface.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22294693 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yang Yin-Shan . . 2 Murciano Brice . . 3 Moubri Karina . . 4 Cibrelus Prisca . . 5 Schetters Theo . . 6 Gorenflot Andre . . 7 Delbecq Stephane . . 8 Roumestand Christian . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 287 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9495 _Page_last 9508 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name BC28.1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label BC28.1 $BC28.1 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_BC28.1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BC28.1 _Molecular_mass 24947.393 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 223 _Mol_residue_sequence ; SSGIEGCTEDEKRDSVVEGA TSVEASLKEQIDWLAERYSA DLTNKDTSKWNTDEKVKELL NEKAVGIESRLLAIAKEFHK LKSVLCTGVNETPAHVANRV SPGDAISMLYVLSITHRELS SLKNKIDEWKKVKASEDGTK VIQNIKDDRTNTWFVAHGFK VAELNDVTLEKLATVVNELV SHKDMIYINDAMKQNVDKWT KEESERLAMMAEQGISGAKG KKD ; loop_ _Residue_seq_code _Residue_label 1 SER 2 SER 3 GLY 4 ILE 5 GLU 6 GLY 7 CYS 8 THR 9 GLU 10 ASP 11 GLU 12 LYS 13 ARG 14 ASP 15 SER 16 VAL 17 VAL 18 GLU 19 GLY 20 ALA 21 THR 22 SER 23 VAL 24 GLU 25 ALA 26 SER 27 LEU 28 LYS 29 GLU 30 GLN 31 ILE 32 ASP 33 TRP 34 LEU 35 ALA 36 GLU 37 ARG 38 TYR 39 SER 40 ALA 41 ASP 42 LEU 43 THR 44 ASN 45 LYS 46 ASP 47 THR 48 SER 49 LYS 50 TRP 51 ASN 52 THR 53 ASP 54 GLU 55 LYS 56 VAL 57 LYS 58 GLU 59 LEU 60 LEU 61 ASN 62 GLU 63 LYS 64 ALA 65 VAL 66 GLY 67 ILE 68 GLU 69 SER 70 ARG 71 LEU 72 LEU 73 ALA 74 ILE 75 ALA 76 LYS 77 GLU 78 PHE 79 HIS 80 LYS 81 LEU 82 LYS 83 SER 84 VAL 85 LEU 86 CYS 87 THR 88 GLY 89 VAL 90 ASN 91 GLU 92 THR 93 PRO 94 ALA 95 HIS 96 VAL 97 ALA 98 ASN 99 ARG 100 VAL 101 SER 102 PRO 103 GLY 104 ASP 105 ALA 106 ILE 107 SER 108 MET 109 LEU 110 TYR 111 VAL 112 LEU 113 SER 114 ILE 115 THR 116 HIS 117 ARG 118 GLU 119 LEU 120 SER 121 SER 122 LEU 123 LYS 124 ASN 125 LYS 126 ILE 127 ASP 128 GLU 129 TRP 130 LYS 131 LYS 132 VAL 133 LYS 134 ALA 135 SER 136 GLU 137 ASP 138 GLY 139 THR 140 LYS 141 VAL 142 ILE 143 GLN 144 ASN 145 ILE 146 LYS 147 ASP 148 ASP 149 ARG 150 THR 151 ASN 152 THR 153 TRP 154 PHE 155 VAL 156 ALA 157 HIS 158 GLY 159 PHE 160 LYS 161 VAL 162 ALA 163 GLU 164 LEU 165 ASN 166 ASP 167 VAL 168 THR 169 LEU 170 GLU 171 LYS 172 LEU 173 ALA 174 THR 175 VAL 176 VAL 177 ASN 178 GLU 179 LEU 180 VAL 181 SER 182 HIS 183 LYS 184 ASP 185 MET 186 ILE 187 TYR 188 ILE 189 ASN 190 ASP 191 ALA 192 MET 193 LYS 194 GLN 195 ASN 196 VAL 197 ASP 198 LYS 199 TRP 200 THR 201 LYS 202 GLU 203 GLU 204 SER 205 GLU 206 ARG 207 LEU 208 ALA 209 MET 210 MET 211 ALA 212 GLU 213 GLN 214 GLY 215 ILE 216 SER 217 GLY 218 ALA 219 LYS 220 GLY 221 LYS 222 LYS 223 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 2LCU "Nmr Structure Of Bc28.1" 100.00 223 100.00 100.00 2.22e-158 GB AKN35161 "merozoite surface protein Bc28.1 [Babesia canis]" 97.31 256 97.70 99.08 6.99e-151 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $BC28.1 'Babesia canis' 5867 Eukaryota . Babesia canis stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $BC28.1 'recombinant technology' . Escherichia coli BL21 DE3 'pIVEX 2.4a' 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 $BC28.1 0.5 mM [U-15N] H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'Sodium phosphate' 10 mM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $BC28.1 0.5 mM '[U-13C; U-15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'Sodium phosphate' 10 mM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $BC28.1 0.1 mM 'natural abundance' D2O 100 % 'natural abundance' 'sodium phosphate' 10 mM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_GIFA _Saveframe_category software _Name GIFA _Version 4.4 loop_ _Vendor _Address _Electronic_address Delsuc . . stop_ loop_ _Task processing stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.2 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HCACO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_3 save_ save_2D_1H-1H_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_3 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' 50 1 mM pH 6.5 0.1 pH pressure 1 . atm temperature 310 0.1 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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 '3D 1H-15N NOESY' '3D HNCA' '3D HNCO' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name BC28.1 _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 2 2 SER HA H 4.245 0.01 1 2 2 2 SER HB2 H 3.880 0.01 2 3 2 2 SER HB3 H 3.880 0.01 2 4 2 2 SER CA C 58.820 0.01 1 5 2 2 SER CB C 64.100 0.01 1 6 3 3 GLY H H 8.380 0.01 1 7 3 3 GLY HA2 H 3.975 0.01 2 8 3 3 GLY HA3 H 3.975 0.01 2 9 3 3 GLY C C 174.320 0.01 1 10 3 3 GLY CA C 45.560 0.01 1 11 3 3 GLY N N 110.620 0.01 1 12 4 4 ILE H H 7.943 0.01 1 13 4 4 ILE HA H 4.129 0.01 1 14 4 4 ILE HB H 1.812 0.01 1 15 4 4 ILE HG12 H 1.375 0.01 1 16 4 4 ILE HG13 H 1.375 0.01 1 17 4 4 ILE HG2 H 1.106 0.01 1 18 4 4 ILE HD1 H 0.832 0.01 1 19 4 4 ILE C C 176.560 0.01 1 20 4 4 ILE CA C 61.650 0.01 1 21 4 4 ILE CB C 38.820 0.01 1 22 4 4 ILE N N 119.570 0.01 1 23 5 5 GLU H H 8.528 0.01 1 24 5 5 GLU HA H 4.244 0.01 1 25 5 5 GLU HB2 H 1.946 0.01 2 26 5 5 GLU HB3 H 1.946 0.01 2 27 5 5 GLU HG2 H 2.028 0.01 2 28 5 5 GLU HG3 H 2.256 0.01 2 29 5 5 GLU C C 177.130 0.01 1 30 5 5 GLU CA C 57.330 0.01 1 31 5 5 GLU CB C 33.380 0.01 1 32 5 5 GLU N N 124.160 0.01 1 33 6 6 GLY H H 8.327 0.01 1 34 6 6 GLY HA2 H 3.932 0.01 2 35 6 6 GLY HA3 H 3.932 0.01 2 36 6 6 GLY C C 173.890 0.01 1 37 6 6 GLY CA C 45.600 0.01 1 38 6 6 GLY N N 109.710 0.01 1 39 7 7 CYS H H 8.611 0.01 1 40 7 7 CYS HB2 H 3.033 0.01 2 41 7 7 CYS HB3 H 3.251 0.01 2 42 7 7 CYS N N 120.930 0.01 1 43 8 8 THR H H 8.341 0.01 1 44 8 8 THR HA H 4.344 0.01 1 45 8 8 THR HB H 4.243 0.01 1 46 8 8 THR N N 115.240 0.01 1 47 9 9 GLU H H 8.446 0.01 1 48 9 9 GLU HB2 H 1.939 0.01 2 49 9 9 GLU HB3 H 1.939 0.01 2 50 9 9 GLU HG2 H 2.060 0.01 2 51 9 9 GLU HG3 H 2.261 0.01 2 52 9 9 GLU N N 122.780 0.01 1 53 10 10 ASP H H 8.168 0.01 1 54 10 10 ASP HA H 4.544 0.01 1 55 10 10 ASP HB2 H 2.581 0.01 2 56 10 10 ASP HB3 H 2.699 0.01 2 57 10 10 ASP N N 120.950 0.01 1 58 11 11 GLU H H 8.225 0.01 1 59 11 11 GLU HA H 4.209 0.01 1 60 11 11 GLU HB2 H 2.000 0.01 2 61 11 11 GLU HB3 H 1.970 0.01 2 62 11 11 GLU HG2 H 2.200 0.01 2 63 11 11 GLU HG3 H 2.240 0.01 2 64 11 11 GLU N N 121.130 0.01 1 65 12 12 LYS H H 8.236 0.01 1 66 12 12 LYS HA H 4.282 0.01 1 67 12 12 LYS HB2 H 1.802 0.01 2 68 12 12 LYS HB3 H 1.802 0.01 2 69 12 12 LYS HG2 H 1.427 0.01 2 70 12 12 LYS HG3 H 1.427 0.01 2 71 12 12 LYS HD2 H 1.765 0.01 2 72 12 12 LYS HD3 H 1.765 0.01 2 73 12 12 LYS C C 176.830 0.01 1 74 12 12 LYS N N 121.960 0.01 1 75 13 13 ARG H H 8.206 0.01 1 76 13 13 ARG HA H 4.323 0.01 1 77 13 13 ARG HB2 H 1.758 0.01 2 78 13 13 ARG HB3 H 1.846 0.01 2 79 13 13 ARG HG2 H 1.634 0.01 2 80 13 13 ARG HG3 H 1.634 0.01 2 81 13 13 ARG C C 176.190 0.01 1 82 13 13 ARG CA C 56.560 0.01 1 83 13 13 ARG CB C 31.320 0.01 1 84 13 13 ARG N N 122.180 0.01 1 85 14 14 ASP H H 8.316 0.01 1 86 14 14 ASP HA H 4.620 0.01 1 87 14 14 ASP HB2 H 2.606 0.01 2 88 14 14 ASP HB3 H 2.691 0.01 2 89 14 14 ASP C C 176.260 0.01 1 90 14 14 ASP CA C 54.670 0.01 1 91 14 14 ASP CB C 41.380 0.01 1 92 14 14 ASP N N 121.150 0.01 1 93 15 15 SER H H 8.138 0.01 1 94 15 15 SER HA H 4.432 0.01 1 95 15 15 SER HB2 H 3.836 0.01 2 96 15 15 SER HB3 H 3.836 0.01 2 97 15 15 SER C C 174.600 0.01 1 98 15 15 SER CA C 58.780 0.01 1 99 15 15 SER CB C 64.020 0.01 1 100 15 15 SER N N 115.650 0.01 1 101 16 16 VAL H H 8.058 0.01 1 102 16 16 VAL HA H 4.093 0.01 1 103 16 16 VAL HB H 2.046 0.01 1 104 16 16 VAL HG1 H 0.885 0.01 1 105 16 16 VAL HG2 H 0.885 0.01 1 106 16 16 VAL C C 176.210 0.01 1 107 16 16 VAL CA C 62.720 0.01 1 108 16 16 VAL N N 121.790 0.01 1 109 17 17 VAL H H 8.090 0.01 1 110 17 17 VAL HA H 4.065 0.01 1 111 17 17 VAL HB H 2.005 0.01 1 112 17 17 VAL HG1 H 0.867 0.01 1 113 17 17 VAL HG2 H 0.867 0.01 1 114 17 17 VAL C C 176.130 0.01 1 115 17 17 VAL CA C 62.590 0.01 1 116 17 17 VAL CB C 32.900 0.01 1 117 17 17 VAL N N 123.660 0.01 1 118 18 18 GLU H H 8.397 0.01 1 119 18 18 GLU HA H 4.245 0.01 1 120 18 18 GLU HB2 H 1.923 0.01 2 121 18 18 GLU HB3 H 1.999 0.01 2 122 18 18 GLU HG2 H 2.226 0.01 2 123 18 18 GLU HG3 H 2.226 0.01 2 124 18 18 GLU C C 176.960 0.01 1 125 18 18 GLU CA C 56.940 0.01 1 126 18 18 GLU CB C 30.450 0.01 1 127 18 18 GLU N N 125.070 0.01 1 128 19 19 GLY H H 8.353 0.01 1 129 19 19 GLY HA2 H 3.894 0.01 2 130 19 19 GLY HA3 H 3.894 0.01 2 131 19 19 GLY C C 174.020 0.01 1 132 19 19 GLY CA C 45.520 0.01 1 133 19 19 GLY N N 110.370 0.01 1 134 20 20 ALA H H 8.046 0.01 1 135 20 20 ALA HA H 4.294 0.01 1 136 20 20 ALA HB H 1.307 0.01 1 137 20 20 ALA C C 177.730 0.01 1 138 20 20 ALA CA C 52.880 0.01 1 139 20 20 ALA CB C 19.710 0.01 1 140 20 20 ALA N N 123.490 0.01 1 141 21 21 THR H H 7.939 0.01 1 142 21 21 THR HA H 4.266 0.01 1 143 21 21 THR HB H 4.083 0.01 1 144 21 21 THR HG2 H 1.017 0.01 1 145 21 21 THR C C 174.470 0.01 1 146 21 21 THR CA C 61.900 0.01 1 147 21 21 THR CB C 69.940 0.01 1 148 21 21 THR N N 112.200 0.01 1 149 22 22 SER H H 8.122 0.01 1 150 22 22 SER HA H 4.461 0.01 1 151 22 22 SER HB2 H 3.777 0.01 2 152 22 22 SER HB3 H 3.777 0.01 2 153 22 22 SER C C 174.740 0.01 1 154 22 22 SER CA C 58.310 0.01 1 155 22 22 SER CB C 64.330 0.01 1 156 22 22 SER N N 117.710 0.01 1 157 23 23 VAL H H 8.099 0.01 1 158 23 23 VAL HA H 4.072 0.01 1 159 23 23 VAL HB H 2.035 0.01 1 160 23 23 VAL HG1 H 0.837 0.01 1 161 23 23 VAL HG2 H 0.837 0.01 1 162 23 23 VAL C C 175.890 0.01 1 163 23 23 VAL CA C 62.890 0.01 1 164 23 23 VAL CB C 32.820 0.01 1 165 23 23 VAL N N 120.800 0.01 1 166 24 24 GLU H H 8.294 0.01 1 167 24 24 GLU HA H 4.201 0.01 1 168 24 24 GLU HB2 H 1.810 0.01 2 169 24 24 GLU HB3 H 1.810 0.01 2 170 24 24 GLU HG2 H 1.967 0.01 2 171 24 24 GLU HG3 H 2.172 0.01 2 172 24 24 GLU C C 175.940 0.01 1 173 24 24 GLU CA C 56.560 0.01 1 174 24 24 GLU CB C 30.530 0.01 1 175 24 24 GLU N N 123.090 0.01 1 176 25 25 ALA H H 7.887 0.01 1 177 25 25 ALA HA H 4.303 0.01 1 178 25 25 ALA HB H 1.294 0.01 1 179 25 25 ALA C C 177.580 0.01 1 180 25 25 ALA CA C 52.320 0.01 1 181 25 25 ALA CB C 19.870 0.01 1 182 25 25 ALA N N 124.300 0.01 1 183 26 26 SER H H 8.614 0.01 1 184 26 26 SER HA H 4.403 0.01 1 185 26 26 SER HB2 H 3.933 0.01 2 186 26 26 SER HB3 H 3.933 0.01 2 187 26 26 SER C C 174.930 0.01 1 188 26 26 SER CA C 57.540 0.01 1 189 26 26 SER CB C 65.360 0.01 1 190 26 26 SER N N 118.630 0.01 1 191 27 27 LEU H H 9.040 0.01 1 192 27 27 LEU HA H 4.193 0.01 1 193 27 27 LEU HB2 H 2.386 0.01 2 194 27 27 LEU HB3 H 2.386 0.01 2 195 27 27 LEU HG H 1.883 0.01 1 196 27 27 LEU HD1 H 1.185 0.01 1 197 27 27 LEU HD2 H 0.987 0.01 1 198 27 27 LEU C C 177.730 0.01 1 199 27 27 LEU CA C 58.480 0.01 1 200 27 27 LEU CB C 39.990 0.01 1 201 27 27 LEU CD1 C 23.479 0.01 2 202 27 27 LEU N N 123.760 0.01 1 203 28 28 LYS H H 7.465 0.01 1 204 28 28 LYS HA H 3.290 0.01 1 205 28 28 LYS HB2 H 1.125 0.01 2 206 28 28 LYS HB3 H 0.029 0.01 2 207 28 28 LYS HG2 H 0.875 0.01 2 208 28 28 LYS HG3 H 0.875 0.01 2 209 28 28 LYS HD2 H 0.983 0.01 2 210 28 28 LYS HD3 H 0.983 0.01 2 211 28 28 LYS C C 178.000 0.01 1 212 28 28 LYS CA C 60.920 0.01 1 213 28 28 LYS CB C 32.300 0.01 1 214 28 28 LYS N N 117.640 0.01 1 215 29 29 GLU H H 7.496 0.01 1 216 29 29 GLU HA H 4.013 0.01 1 217 29 29 GLU HB2 H 2.304 0.01 2 218 29 29 GLU HB3 H 2.304 0.01 2 219 29 29 GLU HG2 H 2.038 0.01 2 220 29 29 GLU HG3 H 2.038 0.01 2 221 29 29 GLU C C 180.120 0.01 1 222 29 29 GLU CA C 59.510 0.01 1 223 29 29 GLU N N 118.120 0.01 1 224 30 30 GLN H H 8.619 0.01 1 225 30 30 GLN HA H 4.016 0.01 1 226 30 30 GLN HB2 H 2.362 0.01 2 227 30 30 GLN HB3 H 2.362 0.01 2 228 30 30 GLN HG2 H 2.060 0.01 2 229 30 30 GLN HG3 H 2.095 0.01 2 230 30 30 GLN HE21 H 5.877 0.01 2 231 30 30 GLN HE22 H 6.694 0.01 2 232 30 30 GLN C C 178.150 0.01 1 233 30 30 GLN CA C 60.060 0.01 1 234 30 30 GLN CB C 29.270 0.01 1 235 30 30 GLN N N 120.700 0.01 1 236 31 31 ILE H H 8.556 0.01 1 237 31 31 ILE HA H 3.789 0.01 1 238 31 31 ILE HB H 2.133 0.01 1 239 31 31 ILE HG12 H 1.335 0.01 2 240 31 31 ILE HG13 H 1.810 0.01 2 241 31 31 ILE HG2 H 0.989 0.01 1 242 31 31 ILE HD1 H 0.989 0.01 1 243 31 31 ILE C C 177.900 0.01 1 244 31 31 ILE CA C 65.240 0.01 1 245 31 31 ILE CB C 30.610 0.01 1 246 31 31 ILE CG2 C 17.839 0.01 1 247 31 31 ILE CD1 C 13.232 0.01 1 248 31 31 ILE N N 118.240 0.01 1 249 32 32 ASP H H 8.392 0.01 1 250 32 32 ASP HA H 4.289 0.01 1 251 32 32 ASP HB2 H 2.719 0.01 2 252 32 32 ASP HB3 H 2.903 0.01 2 253 32 32 ASP C C 178.490 0.01 1 254 32 32 ASP CA C 58.140 0.01 1 255 32 32 ASP CB C 41.270 0.01 1 256 32 32 ASP N N 119.490 0.01 1 257 33 33 TRP H H 8.323 0.01 1 258 33 33 TRP HA H 4.116 0.01 1 259 33 33 TRP HB2 H 3.397 0.01 2 260 33 33 TRP HB3 H 3.456 0.01 2 261 33 33 TRP HD1 H 7.330 0.01 1 262 33 33 TRP HE1 H 10.264 0.01 1 263 33 33 TRP HE3 H 7.380 0.01 1 264 33 33 TRP HZ2 H 7.370 0.01 1 265 33 33 TRP HZ3 H 7.201 0.01 1 266 33 33 TRP HH2 H 6.713 0.01 1 267 33 33 TRP C C 179.730 0.01 1 268 33 33 TRP CA C 63.100 0.01 1 269 33 33 TRP N N 121.060 0.01 1 270 33 33 TRP NE1 N 130.88 0.01 1 271 34 34 LEU H H 9.039 0.01 1 272 34 34 LEU HA H 3.808 0.01 1 273 34 34 LEU HB2 H 2.291 0.01 2 274 34 34 LEU HB3 H 2.351 0.01 2 275 34 34 LEU HG H 2.046 0.01 1 276 34 34 LEU HD1 H 1.101 0.01 1 277 34 34 LEU HD2 H 0.994 0.01 1 278 34 34 LEU C C 179.240 0.01 1 279 34 34 LEU CA C 58.910 0.01 1 280 34 34 LEU CD1 C 25.028 0.01 2 281 34 34 LEU N N 120.790 0.01 1 282 35 35 ALA H H 8.745 0.01 1 283 35 35 ALA HA H 4.336 0.01 1 284 35 35 ALA HB H 1.676 0.01 1 285 35 35 ALA C C 180.670 0.01 1 286 35 35 ALA CA C 55.740 0.01 1 287 35 35 ALA CB C 18.760 0.01 1 288 35 35 ALA N N 119.500 0.01 1 289 36 36 GLU H H 7.833 0.01 1 290 36 36 GLU HA H 4.302 0.01 1 291 36 36 GLU HB2 H 1.932 0.01 2 292 36 36 GLU HB3 H 2.049 0.01 2 293 36 36 GLU HG2 H 2.246 0.01 2 294 36 36 GLU HG3 H 2.470 0.01 2 295 36 36 GLU C C 177.540 0.01 1 296 36 36 GLU CA C 58.870 0.01 1 297 36 36 GLU CB C 29.660 0.01 1 298 36 36 GLU N N 117.270 0.01 1 299 37 37 ARG H H 7.439 0.01 1 300 37 37 ARG HA H 4.355 0.01 1 301 37 37 ARG HB2 H 1.691 0.01 2 302 37 37 ARG HB3 H 2.019 0.01 2 303 37 37 ARG HG2 H 1.956 0.01 2 304 37 37 ARG HG3 H 1.956 0.01 2 305 37 37 ARG C C 177.190 0.01 1 306 37 37 ARG CA C 57.370 0.01 1 307 37 37 ARG CB C 29.980 0.01 1 308 37 37 ARG N N 117.340 0.01 1 309 38 38 TYR H H 7.387 0.01 1 310 38 38 TYR HA H 4.557 0.01 1 311 38 38 TYR HB2 H 2.961 0.01 2 312 38 38 TYR HB3 H 3.160 0.01 2 313 38 38 TYR C C 174.530 0.01 1 314 38 38 TYR CA C 58.870 0.01 1 315 38 38 TYR CB C 39.850 0.01 1 316 38 38 TYR N N 115.590 0.01 1 317 39 39 SER H H 7.866 0.01 1 318 39 39 SER HA H 4.688 0.01 1 319 39 39 SER HB2 H 3.296 0.01 2 320 39 39 SER HB3 H 4.301 0.01 2 321 39 39 SER C C 173.630 0.01 1 322 39 39 SER CA C 56.980 0.01 1 323 39 39 SER CB C 64.180 0.01 1 324 39 39 SER N N 111.080 0.01 1 325 40 40 ALA H H 6.600 0.01 1 326 40 40 ALA HA H 4.068 0.01 1 327 40 40 ALA HB H 1.286 0.01 1 328 40 40 ALA C C 175.320 0.01 1 329 40 40 ALA CA C 52.830 0.01 1 330 40 40 ALA CB C 19.710 0.01 1 331 40 40 ALA N N 124.560 0.01 1 332 41 41 ASP H H 7.983 0.01 1 333 41 41 ASP HA H 4.343 0.01 1 334 41 41 ASP HB2 H 1.810 0.01 2 335 41 41 ASP HB3 H 2.614 0.01 2 336 41 41 ASP C C 177.450 0.01 1 337 41 41 ASP CA C 52.700 0.01 1 338 41 41 ASP CB C 40.330 0.01 1 339 41 41 ASP N N 117.360 0.01 1 340 42 42 LEU H H 8.930 0.01 1 341 42 42 LEU HA H 4.357 0.01 1 342 42 42 LEU HB2 H 1.659 0.01 2 343 42 42 LEU HB3 H 1.793 0.01 2 344 42 42 LEU HG H 1.600 0.01 1 345 42 42 LEU HD1 H 1.188 0.01 1 346 42 42 LEU HD2 H 0.901 0.01 1 347 42 42 LEU C C 178.110 0.01 1 348 42 42 LEU CA C 54.290 0.01 1 349 42 42 LEU CB C 41.120 0.01 1 350 42 42 LEU CD1 C 27.138 0.01 2 351 42 42 LEU CD2 C 23.479 0.01 2 352 42 42 LEU N N 126.760 0.01 1 353 43 43 THR H H 8.338 0.01 1 354 43 43 THR HA H 3.787 0.01 1 355 43 43 THR HB H 3.986 0.01 1 356 43 43 THR HG2 H 1.235 0.01 1 357 43 43 THR C C 175.430 0.01 1 358 43 43 THR CA C 66.570 0.01 1 359 43 43 THR CB C 69.230 0.01 1 360 43 43 THR CG2 C 21.626 0.01 1 361 43 43 THR N N 116.560 0.01 1 362 44 44 ASN H H 8.511 0.01 1 363 44 44 ASN HA H 4.736 0.01 1 364 44 44 ASN HB2 H 2.669 0.01 2 365 44 44 ASN HB3 H 2.915 0.01 2 366 44 44 ASN HD21 H 6.816 0.01 2 367 44 44 ASN HD22 H 7.486 0.01 2 368 44 44 ASN C C 174.620 0.01 1 369 44 44 ASN CA C 53.480 0.01 1 370 44 44 ASN CB C 38.590 0.01 1 371 44 44 ASN N N 117.490 0.01 1 372 45 45 LYS H H 7.494 0.01 1 373 45 45 LYS HA H 4.433 0.01 1 374 45 45 LYS HB2 H 1.552 0.01 2 375 45 45 LYS HB3 H 1.591 0.01 2 376 45 45 LYS HG2 H 1.397 0.01 2 377 45 45 LYS HG3 H 1.397 0.01 2 378 45 45 LYS HD2 H 1.764 0.01 2 379 45 45 LYS HD3 H 1.789 0.01 2 380 45 45 LYS HE2 H 3.101 0.01 2 381 45 45 LYS HE3 H 3.101 0.01 2 382 45 45 LYS C C 175.320 0.01 1 383 45 45 LYS CA C 54.720 0.01 1 384 45 45 LYS CB C 33.850 0.01 1 385 45 45 LYS N N 119.040 0.01 1 386 46 46 ASP H H 8.480 0.01 1 387 46 46 ASP HA H 4.688 0.01 1 388 46 46 ASP HB2 H 2.572 0.01 2 389 46 46 ASP HB3 H 2.825 0.01 2 390 46 46 ASP C C 177.200 0.01 1 391 46 46 ASP CA C 53.050 0.01 1 392 46 46 ASP CB C 40.250 0.01 1 393 46 46 ASP N N 122.020 0.01 1 394 47 47 THR H H 8.032 0.01 1 395 47 47 THR HA H 2.443 0.01 1 396 47 47 THR HB H 3.638 0.01 1 397 47 47 THR HG2 H -0.064 0.01 1 398 47 47 THR CA C 61.430 0.01 1 399 47 47 THR CB C 68.990 0.01 1 400 47 47 THR CG2 C 20.207 0.01 1 401 47 47 THR N N 116.770 0.01 1 402 48 48 SER H H 8.280 0.01 1 403 48 48 SER HA H 4.071 0.01 1 404 48 48 SER HB2 H 3.901 0.01 2 405 48 48 SER HB3 H 3.928 0.01 2 406 48 48 SER CA C 57.450 0.01 1 407 48 48 SER N N 119.890 0.01 1 408 49 49 LYS H H 7.906 0.01 1 409 49 49 LYS HA H 4.587 0.01 1 410 49 49 LYS HB2 H 1.721 0.01 2 411 49 49 LYS HB3 H 1.721 0.01 2 412 49 49 LYS HG2 H 1.381 0.01 2 413 49 49 LYS HG3 H 1.381 0.01 2 414 49 49 LYS HD2 H 1.385 0.01 2 415 49 49 LYS HD3 H 1.385 0.01 2 416 49 49 LYS C C 177.220 0.01 1 417 49 49 LYS CA C 55.400 0.01 1 418 49 49 LYS CB C 31.800 0.01 1 419 49 49 LYS N N 119.290 0.01 1 420 50 50 TRP H H 7.753 0.01 1 421 50 50 TRP HA H 4.693 0.01 1 422 50 50 TRP HB2 H 3.166 0.01 2 423 50 50 TRP HB3 H 3.673 0.01 2 424 50 50 TRP HD1 H 6.950 0.01 1 425 50 50 TRP HE1 H 10.069 0.01 1 426 50 50 TRP HE3 H 7.249 0.01 1 427 50 50 TRP HZ2 H 7.387 0.01 1 428 50 50 TRP HZ3 H 6.693 0.01 1 429 50 50 TRP HH2 H 7.139 0.01 1 430 50 50 TRP C C 175.250 0.01 1 431 50 50 TRP CA C 56.600 0.01 1 432 50 50 TRP CB C 28.320 0.01 1 433 50 50 TRP N N 121.730 0.01 1 434 50 50 TRP NE1 N 128.25 0.01 1 435 51 51 ASN H H 8.963 0.01 1 436 51 51 ASN HA H 5.095 0.01 1 437 51 51 ASN HB2 H 2.857 0.01 2 438 51 51 ASN HB3 H 2.857 0.01 2 439 51 51 ASN HD21 H 6.723 0.01 2 440 51 51 ASN HD22 H 7.696 0.01 2 441 51 51 ASN C C 175.900 0.01 1 442 51 51 ASN CA C 52.410 0.01 1 443 51 51 ASN CB C 36.380 0.01 1 444 51 51 ASN N N 126.500 0.01 1 445 52 52 THR H H 7.685 0.01 1 446 52 52 THR HA H 4.214 0.01 1 447 52 52 THR HB H 3.418 0.01 1 448 52 52 THR HG2 H 0.972 0.01 1 449 52 52 THR C C 174.910 0.01 1 450 52 52 THR CA C 69.130 0.01 1 451 52 52 THR CB C 68.360 0.01 1 452 52 52 THR CG2 C 23.479 0.01 1 453 52 52 THR N N 118.050 0.01 1 454 53 53 ASP H H 8.916 0.01 1 455 53 53 ASP HA H 4.248 0.01 1 456 53 53 ASP HB2 H 2.662 0.01 2 457 53 53 ASP HB3 H 2.722 0.01 2 458 53 53 ASP C C 178.620 0.01 1 459 53 53 ASP CA C 58.480 0.01 1 460 53 53 ASP CB C 40.090 0.01 1 461 53 53 ASP N N 122.020 0.01 1 462 54 54 GLU H H 7.753 0.01 1 463 54 54 GLU HA H 3.909 0.01 1 464 54 54 GLU HB2 H 2.104 0.01 2 465 54 54 GLU HB3 H 2.104 0.01 2 466 54 54 GLU HG2 H 3.316 0.01 2 467 54 54 GLU HG3 H 3.316 0.01 2 468 54 54 GLU C C 179.260 0.01 1 469 54 54 GLU CA C 59.590 0.01 1 470 54 54 GLU CB C 30.060 0.01 1 471 54 54 GLU N N 118.130 0.01 1 472 55 55 LYS H H 8.090 0.01 1 473 55 55 LYS HA H 4.256 0.01 1 474 55 55 LYS HB2 H 1.940 0.01 2 475 55 55 LYS HB3 H 1.940 0.01 2 476 55 55 LYS HG2 H 1.575 0.01 2 477 55 55 LYS HG3 H 1.575 0.01 2 478 55 55 LYS HD2 H 1.678 0.01 2 479 55 55 LYS HD3 H 1.794 0.01 2 480 55 55 LYS C C 179.390 0.01 1 481 55 55 LYS CA C 57.920 0.01 1 482 55 55 LYS CB C 31.400 0.01 1 483 55 55 LYS N N 119.200 0.01 1 484 56 56 VAL H H 8.377 0.01 1 485 56 56 VAL HA H 3.735 0.01 1 486 56 56 VAL HB H 2.224 0.01 1 487 56 56 VAL HG1 H 1.033 0.01 1 488 56 56 VAL HG2 H 1.033 0.01 1 489 56 56 VAL C C 177.770 0.01 1 490 56 56 VAL CA C 65.240 0.01 1 491 56 56 VAL CB C 31.160 0.01 1 492 56 56 VAL CG1 C 24.038 0.01 2 493 56 56 VAL CG2 C 24.038 0.01 2 494 56 56 VAL N N 116.800 0.01 1 495 57 57 LYS H H 8.070 0.01 1 496 57 57 LYS HA H 4.054 0.01 1 497 57 57 LYS HB2 H 1.981 0.01 2 498 57 57 LYS HB3 H 1.981 0.01 2 499 57 57 LYS HG2 H 1.448 0.01 2 500 57 57 LYS HG3 H 1.448 0.01 2 501 57 57 LYS HD2 H 1.655 0.01 2 502 57 57 LYS HD3 H 1.655 0.01 2 503 57 57 LYS C C 178.370 0.01 1 504 57 57 LYS CA C 59.890 0.01 1 505 57 57 LYS CB C 32.660 0.01 1 506 57 57 LYS N N 125.540 0.01 1 507 58 58 GLU H H 7.511 0.01 1 508 58 58 GLU HA H 4.052 0.01 1 509 58 58 GLU HB2 H 2.119 0.01 2 510 58 58 GLU HB3 H 2.119 0.01 2 511 58 58 GLU HG2 H 2.342 0.01 2 512 58 58 GLU HG3 H 2.550 0.01 2 513 58 58 GLU C C 177.170 0.01 1 514 58 58 GLU CA C 59.380 0.01 1 515 58 58 GLU CB C 30.060 0.01 1 516 58 58 GLU N N 116.720 0.01 1 517 59 59 LEU H H 7.372 0.01 1 518 59 59 LEU HA H 4.556 0.01 1 519 59 59 LEU HB2 H 1.616 0.01 2 520 59 59 LEU HB3 H 1.616 0.01 2 521 59 59 LEU HG H 1.545 0.01 1 522 59 59 LEU HD1 H 0.888 0.01 1 523 59 59 LEU HD2 H 0.768 0.01 1 524 59 59 LEU C C 177.370 0.01 1 525 59 59 LEU CA C 56.430 0.01 1 526 59 59 LEU CB C 44.990 0.01 1 527 59 59 LEU CD2 C 24.727 0.01 2 528 59 59 LEU N N 115.750 0.01 1 529 60 60 LEU H H 7.969 0.01 1 530 60 60 LEU HA H 4.542 0.01 1 531 60 60 LEU HB2 H 1.469 0.01 2 532 60 60 LEU HB3 H 1.648 0.01 2 533 60 60 LEU HG H 1.234 0.01 1 534 60 60 LEU HD1 H 0.709 0.01 1 535 60 60 LEU HD2 H 0.709 0.01 1 536 60 60 LEU C C 177.110 0.01 1 537 60 60 LEU CA C 54.120 0.01 1 538 60 60 LEU CB C 45.220 0.01 1 539 60 60 LEU CD1 C 23.522 0.01 2 540 60 60 LEU CD2 C 23.522 0.01 2 541 60 60 LEU N N 114.170 0.01 1 542 61 61 ASN H H 8.829 0.01 1 543 61 61 ASN HA H 4.396 0.01 1 544 61 61 ASN HB2 H 3.032 0.01 2 545 61 61 ASN HB3 H 3.060 0.01 2 546 61 61 ASN HD21 H 6.936 0.01 2 547 61 61 ASN HD22 H 7.586 0.01 2 548 61 61 ASN C C 176.230 0.01 1 549 61 61 ASN CA C 55.060 0.01 1 550 61 61 ASN CB C 38.110 0.01 1 551 61 61 ASN N N 121.520 0.01 1 552 62 62 GLU H H 9.516 0.01 1 553 62 62 GLU HA H 4.252 0.01 1 554 62 62 GLU HB2 H 2.148 0.01 2 555 62 62 GLU HB3 H 2.260 0.01 2 556 62 62 GLU HG2 H 2.486 0.01 2 557 62 62 GLU HG3 H 2.486 0.01 2 558 62 62 GLU C C 177.770 0.01 1 559 62 62 GLU CA C 59.510 0.01 1 560 62 62 GLU CB C 28.400 0.01 1 561 62 62 GLU N N 123.980 0.01 1 562 63 63 LYS H H 7.821 0.01 1 563 63 63 LYS HA H 4.421 0.01 1 564 63 63 LYS HB2 H 1.522 0.01 2 565 63 63 LYS HB3 H 1.481 0.01 2 566 63 63 LYS HG2 H 1.912 0.01 2 567 63 63 LYS HG3 H 1.912 0.01 2 568 63 63 LYS HD2 H 1.947 0.01 2 569 63 63 LYS HD3 H 1.947 0.01 2 570 63 63 LYS C C 176.470 0.01 1 571 63 63 LYS CA C 57.240 0.01 1 572 63 63 LYS CB C 31.950 0.01 1 573 63 63 LYS N N 118.120 0.01 1 574 64 64 ALA H H 7.764 0.01 1 575 64 64 ALA HA H 3.947 0.01 1 576 64 64 ALA HB H 1.447 0.01 1 577 64 64 ALA C C 176.280 0.01 1 578 64 64 ALA CA C 53.130 0.01 1 579 64 64 ALA CB C 20.980 0.01 1 580 64 64 ALA N N 119.880 0.01 1 581 65 65 VAL H H 6.925 0.01 1 582 65 65 VAL HA H 3.733 0.01 1 583 65 65 VAL HB H 2.010 0.01 1 584 65 65 VAL HG1 H 1.077 0.01 1 585 65 65 VAL HG2 H 0.955 0.01 1 586 65 65 VAL C C 178.430 0.01 1 587 65 65 VAL CA C 64.980 0.01 1 588 65 65 VAL CB C 31.640 0.01 1 589 65 65 VAL CG1 C 21.627 0.01 2 590 65 65 VAL CG2 C 20.982 0.01 2 591 65 65 VAL N N 116.870 0.01 1 592 66 66 GLY H H 9.513 0.01 1 593 66 66 GLY HA2 H 3.981 0.01 2 594 66 66 GLY HA3 H 3.981 0.01 2 595 66 66 GLY CA C 46.420 0.01 1 596 66 66 GLY N N 119.750 0.01 1 597 67 67 ILE H H 8.067 0.01 1 598 67 67 ILE HA H 3.993 0.01 1 599 67 67 ILE HB H 2.175 0.01 1 600 67 67 ILE HG12 H 1.447 0.01 1 601 67 67 ILE HG13 H 1.447 0.01 1 602 67 67 ILE HG2 H 1.039 0.01 1 603 67 67 ILE HD1 H 0.960 0.01 1 604 67 67 ILE C C 176.960 0.01 1 605 67 67 ILE CA C 61.990 0.01 1 606 67 67 ILE CG2 C 19.216 0.01 1 607 67 67 ILE CD1 C 14.351 0.01 1 608 67 67 ILE N N 121.870 0.01 1 609 68 68 GLU H H 9.761 0.01 1 610 68 68 GLU HA H 3.700 0.01 1 611 68 68 GLU HB2 H 2.141 0.01 2 612 68 68 GLU HB3 H 2.305 0.01 2 613 68 68 GLU HG2 H 2.367 0.01 2 614 68 68 GLU HG3 H 2.367 0.01 2 615 68 68 GLU C C 178.240 0.01 1 616 68 68 GLU CA C 61.730 0.01 1 617 68 68 GLU CB C 30.060 0.01 1 618 68 68 GLU N N 125.190 0.01 1 619 69 69 SER H H 8.038 0.01 1 620 69 69 SER HA H 4.170 0.01 1 621 69 69 SER HB2 H 3.924 0.01 2 622 69 69 SER HB3 H 3.924 0.01 2 623 69 69 SER C C 177.070 0.01 1 624 69 69 SER CA C 62.260 0.01 1 625 69 69 SER CB C 63.030 0.01 1 626 69 69 SER N N 111.880 0.01 1 627 70 70 ARG H H 7.245 0.01 1 628 70 70 ARG HA H 4.176 0.01 1 629 70 70 ARG HB2 H 1.600 0.01 2 630 70 70 ARG HB3 H 1.766 0.01 2 631 70 70 ARG HG2 H 2.022 0.01 2 632 70 70 ARG HG3 H 2.022 0.01 2 633 70 70 ARG C C 178.090 0.01 1 634 70 70 ARG CA C 59.660 0.01 1 635 70 70 ARG N N 121.310 0.01 1 636 71 71 LEU H H 8.484 0.01 1 637 71 71 LEU HA H 3.925 0.01 1 638 71 71 LEU C C 179.860 0.01 1 639 71 71 LEU CA C 58.850 0.01 1 640 71 71 LEU CB C 40.720 0.01 1 641 71 71 LEU N N 117.950 0.01 1 642 72 72 LEU H H 8.455 0.01 1 643 72 72 LEU HA H 3.997 0.01 1 644 72 72 LEU HB2 H 1.804 0.01 2 645 72 72 LEU HB3 H 1.804 0.01 2 646 72 72 LEU HG H 1.610 0.01 1 647 72 72 LEU HD1 H 0.897 0.01 1 648 72 72 LEU HD2 H 0.796 0.01 1 649 72 72 LEU C C 179.330 0.01 1 650 72 72 LEU CA C 58.180 0.01 1 651 72 72 LEU CB C 41.840 0.01 1 652 72 72 LEU N N 119.480 0.01 1 653 73 73 ALA H H 7.649 0.01 1 654 73 73 ALA HA H 4.161 0.01 1 655 73 73 ALA HB H 1.844 0.01 1 656 73 73 ALA C C 180.980 0.01 1 657 73 73 ALA CA C 55.750 0.01 1 658 73 73 ALA CB C 18.480 0.01 1 659 73 73 ALA N N 123.470 0.01 1 660 74 74 ILE H H 7.796 0.01 1 661 74 74 ILE HA H 3.294 0.01 1 662 74 74 ILE HB H 1.810 0.01 1 663 74 74 ILE HG2 H 0.819 0.01 1 664 74 74 ILE HD1 H 0.584 0.01 1 665 74 74 ILE C C 179.130 0.01 1 666 74 74 ILE CA C 63.890 0.01 1 667 74 74 ILE CG2 C 18.829 0.01 1 668 74 74 ILE CD1 C 13.576 0.01 1 669 74 74 ILE N N 118.760 0.01 1 670 75 75 ALA H H 8.895 0.01 1 671 75 75 ALA HA H 3.838 0.01 1 672 75 75 ALA HB H 1.597 0.01 1 673 75 75 ALA C C 178.840 0.01 1 674 75 75 ALA CA C 56.020 0.01 1 675 75 75 ALA CB C 19.090 0.01 1 676 75 75 ALA N N 127.070 0.01 1 677 76 76 LYS H H 8.150 0.01 1 678 76 76 LYS HA H 2.765 0.01 1 679 76 76 LYS HB2 H 1.844 0.01 2 680 76 76 LYS HB3 H 1.844 0.01 2 681 76 76 LYS HG2 H 1.310 0.01 2 682 76 76 LYS HG3 H 1.310 0.01 2 683 76 76 LYS HD2 H 1.613 0.01 2 684 76 76 LYS HD3 H 1.613 0.01 2 685 76 76 LYS C C 179.440 0.01 1 686 76 76 LYS CA C 60.250 0.01 1 687 76 76 LYS CB C 32.530 0.01 1 688 76 76 LYS N N 120.200 0.01 1 689 77 77 GLU H H 7.547 0.01 1 690 77 77 GLU HA H 4.310 0.01 1 691 77 77 GLU HB2 H 1.894 0.01 2 692 77 77 GLU HB3 H 2.174 0.01 2 693 77 77 GLU HG2 H 2.298 0.01 2 694 77 77 GLU HG3 H 2.469 0.01 2 695 77 77 GLU C C 178.960 0.01 1 696 77 77 GLU CA C 58.220 0.01 1 697 77 77 GLU N N 118.400 0.01 1 698 78 78 PHE H H 8.460 0.01 1 699 78 78 PHE HA H 4.171 0.01 1 700 78 78 PHE HB2 H 2.779 0.01 2 701 78 78 PHE HB3 H 2.969 0.01 2 702 78 78 PHE C C 175.570 0.01 1 703 78 78 PHE N N 118.020 0.01 1 704 79 79 HIS H H 8.349 0.01 1 705 79 79 HIS HA H 4.131 0.01 1 706 79 79 HIS HB2 H 3.256 0.01 2 707 79 79 HIS HB3 H 3.399 0.01 2 708 79 79 HIS HD1 H 7.231 0.01 1 709 79 79 HIS HE1 H 7.720 0.01 1 710 79 79 HIS CA C 61.720 0.01 1 711 79 79 HIS N N 122.700 0.01 1 712 80 80 LYS H H 8.256 0.01 1 713 80 80 LYS HA H 4.146 0.01 1 714 80 80 LYS C C 179.530 0.01 1 715 80 80 LYS CA C 60.480 0.01 1 716 80 80 LYS CB C 31.070 0.01 1 717 80 80 LYS N N 120.920 0.01 1 718 81 81 LEU H H 8.337 0.01 1 719 81 81 LEU HA H 3.949 0.01 1 720 81 81 LEU HB2 H 2.168 0.01 2 721 81 81 LEU HB3 H 2.168 0.01 2 722 81 81 LEU HD1 H 0.986 0.01 1 723 81 81 LEU HD2 H 0.905 0.01 1 724 81 81 LEU C C 177.830 0.01 1 725 81 81 LEU CA C 58.980 0.01 1 726 81 81 LEU CB C 41.280 0.01 1 727 81 81 LEU N N 120.720 0.01 1 728 82 82 LYS H H 8.349 0.01 1 729 82 82 LYS HB2 H 1.784 0.01 2 730 82 82 LYS HB3 H 1.784 0.01 2 731 82 82 LYS HG2 H 1.436 0.01 2 732 82 82 LYS HG3 H 1.436 0.01 2 733 82 82 LYS HD2 H 1.631 0.01 2 734 82 82 LYS HD3 H 1.631 0.01 2 735 82 82 LYS C C 177.190 0.01 1 736 82 82 LYS CA C 60.890 0.01 1 737 82 82 LYS CB C 35.030 0.01 1 738 82 82 LYS N N 120.620 0.01 1 739 83 83 SER H H 8.335 0.01 1 740 83 83 SER HA H 3.959 0.01 1 741 83 83 SER HB2 H 3.598 0.01 2 742 83 83 SER HB3 H 3.747 0.01 2 743 83 83 SER C C 175.150 0.01 1 744 83 83 SER CA C 60.920 0.01 1 745 83 83 SER CB C 63.390 0.01 1 746 83 83 SER N N 113.010 0.01 1 747 84 84 VAL H H 7.762 0.01 1 748 84 84 VAL HA H 3.851 0.01 1 749 84 84 VAL HB H 2.248 0.01 1 750 84 84 VAL HG1 H 1.101 0.01 1 751 84 84 VAL HG2 H 0.892 0.01 1 752 84 84 VAL C C 178.670 0.01 1 753 84 84 VAL CA C 65.280 0.01 1 754 84 84 VAL CG1 C 23.349 0.01 2 755 84 84 VAL N N 120.960 0.01 1 756 85 85 LEU H H 8.195 0.01 1 757 85 85 LEU HA H 4.038 0.01 1 758 85 85 LEU HB2 H 1.626 0.01 2 759 85 85 LEU HB3 H 1.856 0.01 2 760 85 85 LEU HG H 1.483 0.01 1 761 85 85 LEU HD1 H 0.732 0.01 1 762 85 85 LEU HD2 H 0.585 0.01 1 763 85 85 LEU C C 177.110 0.01 1 764 85 85 LEU CA C 58.480 0.01 1 765 85 85 LEU CB C 45.770 0.01 1 766 85 85 LEU CD2 C 24.770 0.01 2 767 85 85 LEU N N 118.800 0.01 1 768 86 86 CYS H H 8.461 0.01 1 769 86 86 CYS HA H 5.066 0.01 1 770 86 86 CYS HB2 H 2.919 0.01 2 771 86 86 CYS HB3 H 3.168 0.01 2 772 86 86 CYS C C 174.420 0.01 1 773 86 86 CYS CA C 58.950 0.01 1 774 86 86 CYS CB C 30.140 0.01 1 775 86 86 CYS N N 115.230 0.01 1 776 87 87 THR H H 8.118 0.01 1 777 87 87 THR HA H 3.916 0.01 1 778 87 87 THR HB H 4.183 0.01 1 779 87 87 THR HG2 H 1.101 0.01 1 780 87 87 THR C C 175.890 0.01 1 781 87 87 THR CA C 62.800 0.01 1 782 87 87 THR CB C 69.470 0.01 1 783 87 87 THR CG2 C 21.627 0.01 1 784 87 87 THR N N 116.950 0.01 1 785 88 88 GLY H H 8.699 0.01 1 786 88 88 GLY HA2 H 3.763 0.01 2 787 88 88 GLY HA3 H 4.029 0.01 2 788 88 88 GLY C C 174.280 0.01 1 789 88 88 GLY CA C 46.500 0.01 1 790 88 88 GLY N N 111.400 0.01 1 791 89 89 VAL H H 7.719 0.01 1 792 89 89 VAL HA H 4.108 0.01 1 793 89 89 VAL HB H 1.950 0.01 1 794 89 89 VAL HG1 H 0.756 0.01 1 795 89 89 VAL HG2 H 0.666 0.01 1 796 89 89 VAL C C 175.190 0.01 1 797 89 89 VAL CA C 61.690 0.01 1 798 89 89 VAL CB C 33.530 0.01 1 799 89 89 VAL CG1 C 21.972 0.01 2 800 89 89 VAL CG2 C 21.068 0.01 2 801 89 89 VAL N N 121.000 0.01 1 802 90 90 ASN H H 8.694 0.01 1 803 90 90 ASN HA H 4.699 0.01 1 804 90 90 ASN HB2 H 2.696 0.01 2 805 90 90 ASN HB3 H 2.880 0.01 2 806 90 90 ASN HD21 H 6.907 0.01 2 807 90 90 ASN HD22 H 7.631 0.01 2 808 90 90 ASN C C 175.920 0.01 1 809 90 90 ASN CA C 53.480 0.01 1 810 90 90 ASN CB C 39.140 0.01 1 811 90 90 ASN N N 127.350 0.01 1 812 91 91 GLU H H 8.954 0.01 1 813 91 91 GLU HA H 4.005 0.01 1 814 91 91 GLU HB2 H 2.073 0.01 2 815 91 91 GLU HB3 H 2.186 0.01 2 816 91 91 GLU HG2 H 2.339 0.01 2 817 91 91 GLU HG3 H 2.339 0.01 2 818 91 91 GLU C C 177.050 0.01 1 819 91 91 GLU CA C 60.190 0.01 1 820 91 91 GLU N N 125.380 0.01 1 821 92 92 THR H H 8.242 0.01 1 822 92 92 THR HA H 3.997 0.01 1 823 92 92 THR HB H 4.712 0.01 1 824 92 92 THR HG2 H 1.180 0.01 1 825 92 92 THR CG2 C 21.670 0.01 1 826 92 92 THR N N 115.220 0.01 1 827 93 93 PRO HA H 4.536 0.01 1 828 93 93 PRO HB2 H 2.066 0.01 2 829 93 93 PRO HB3 H 2.066 0.01 2 830 93 93 PRO HG2 H 1.949 0.01 2 831 93 93 PRO HG3 H 1.949 0.01 2 832 93 93 PRO C C 175.490 0.01 1 833 93 93 PRO CA C 62.030 0.01 1 834 93 93 PRO CB C 32.660 0.01 1 835 94 94 ALA H H 8.323 0.01 1 836 94 94 ALA HA H 3.806 0.01 1 837 94 94 ALA HB H 1.202 0.01 1 838 94 94 ALA C C 177.410 0.01 1 839 94 94 ALA CA C 54.370 0.01 1 840 94 94 ALA CB C 19.000 0.01 1 841 94 94 ALA N N 121.640 0.01 1 842 95 95 HIS H H 7.577 0.01 1 843 95 95 HIS HA H 4.699 0.01 1 844 95 95 HIS HB2 H 2.645 0.01 2 845 95 95 HIS HB3 H 2.853 0.01 2 846 95 95 HIS HD1 H 7.210 0.01 1 847 95 95 HIS HE1 H 8.318 0.01 1 848 95 95 HIS C C 171.290 0.01 1 849 95 95 HIS CA C 54.460 0.01 1 850 95 95 HIS CB C 31.320 0.01 1 851 95 95 HIS N N 113.670 0.01 1 852 96 96 VAL H H 7.685 0.01 1 853 96 96 VAL HA H 4.123 0.01 1 854 96 96 VAL HB H 1.567 0.01 1 855 96 96 VAL HG1 H 0.545 0.01 1 856 96 96 VAL HG2 H 0.564 0.01 1 857 96 96 VAL C C 176.040 0.01 1 858 96 96 VAL CA C 60.450 0.01 1 859 96 96 VAL CB C 34.480 0.01 1 860 96 96 VAL CG1 C 20.637 0.01 2 861 96 96 VAL CG2 C 21.584 0.01 2 862 96 96 VAL N N 117.190 0.01 1 863 97 97 ALA H H 8.716 0.01 1 864 97 97 ALA HA H 4.276 0.01 1 865 97 97 ALA HB H 1.708 0.01 1 866 97 97 ALA C C 176.900 0.01 1 867 97 97 ALA CA C 52.920 0.01 1 868 97 97 ALA CB C 20.820 0.01 1 869 97 97 ALA N N 131.340 0.01 1 870 98 98 ASN H H 7.940 0.01 1 871 98 98 ASN HA H 4.807 0.01 1 872 98 98 ASN HB2 H 2.757 0.01 2 873 98 98 ASN HB3 H 3.054 0.01 2 874 98 98 ASN HD21 H 6.653 0.01 2 875 98 98 ASN HD22 H 7.470 0.01 2 876 98 98 ASN C C 174.340 0.01 1 877 98 98 ASN CA C 52.190 0.01 1 878 98 98 ASN CB C 38.980 0.01 1 879 98 98 ASN N N 114.170 0.01 1 880 99 99 ARG H H 7.399 0.01 1 881 99 99 ARG HA H 4.906 0.01 1 882 99 99 ARG HB2 H 1.613 0.01 2 883 99 99 ARG HB3 H 1.749 0.01 2 884 99 99 ARG HG2 H 2.309 0.01 2 885 99 99 ARG HG3 H 2.309 0.01 2 886 99 99 ARG HD2 H 3.241 0.01 2 887 99 99 ARG HD3 H 3.500 0.01 2 888 99 99 ARG C C 174.680 0.01 1 889 99 99 ARG CA C 53.520 0.01 1 890 99 99 ARG CB C 29.430 0.01 1 891 99 99 ARG N N 116.590 0.01 1 892 100 100 VAL H H 9.373 0.01 1 893 100 100 VAL HA H 4.327 0.01 1 894 100 100 VAL HB H 1.785 0.01 1 895 100 100 VAL HG1 H 1.019 0.01 1 896 100 100 VAL HG2 H 0.919 0.01 1 897 100 100 VAL C C 173.720 0.01 1 898 100 100 VAL CA C 61.390 0.01 1 899 100 100 VAL CB C 29.110 0.01 1 900 100 100 VAL CG1 C 21.627 0.01 2 901 100 100 VAL CG2 C 21.670 0.01 2 902 100 100 VAL N N 120.070 0.01 1 903 101 101 SER H H 8.973 0.01 1 904 101 101 SER HA H 2.919 0.01 1 905 101 101 SER HB2 H 2.334 0.01 2 906 101 101 SER HB3 H 2.866 0.01 2 907 101 101 SER CA C 57.280 0.01 1 908 101 101 SER N N 125.790 0.01 1 909 102 102 PRO C C 178.090 0.01 1 910 102 102 PRO CA C 66.350 0.01 1 911 102 102 PRO CB C 31.800 0.01 1 912 103 103 GLY H H 8.323 0.01 1 913 103 103 GLY HA2 H 3.745 0.01 2 914 103 103 GLY HA3 H 3.745 0.01 2 915 103 103 GLY C C 177.150 0.01 1 916 103 103 GLY CA C 47.060 0.01 1 917 103 103 GLY N N 102.700 0.01 1 918 104 104 ASP H H 7.441 0.01 1 919 104 104 ASP HA H 4.561 0.01 1 920 104 104 ASP HB2 H 2.134 0.01 2 921 104 104 ASP HB3 H 2.830 0.01 2 922 104 104 ASP C C 178.220 0.01 1 923 104 104 ASP CA C 57.240 0.01 1 924 104 104 ASP CB C 40.480 0.01 1 925 104 104 ASP N N 122.030 0.01 1 926 105 105 ALA H H 8.679 0.01 1 927 105 105 ALA HA H 3.822 0.01 1 928 105 105 ALA HB H 1.208 0.01 1 929 105 105 ALA C C 178.600 0.01 1 930 105 105 ALA CA C 55.960 0.01 1 931 105 105 ALA CB C 19.240 0.01 1 932 105 105 ALA N N 123.060 0.01 1 933 106 106 ILE H H 7.525 0.01 1 934 106 106 ILE HA H 3.677 0.01 1 935 106 106 ILE HB H 2.021 0.01 1 936 106 106 ILE HG12 H 1.403 0.01 2 937 106 106 ILE HG13 H 1.632 0.01 2 938 106 106 ILE HG2 H 0.993 0.01 1 939 106 106 ILE HD1 H 0.781 0.01 1 940 106 106 ILE C C 177.980 0.01 1 941 106 106 ILE CA C 64.510 0.01 1 942 106 106 ILE CB C 36.770 0.01 1 943 106 106 ILE CD1 C 12.070 0.01 1 944 106 106 ILE N N 115.380 0.01 1 945 107 107 SER H H 7.823 0.01 1 946 107 107 SER HA H 4.211 0.01 1 947 107 107 SER HB2 H 3.675 0.01 2 948 107 107 SER HB3 H 3.675 0.01 2 949 107 107 SER C C 176.550 0.01 1 950 107 107 SER CA C 63.310 0.01 1 951 107 107 SER CB C 63.860 0.01 1 952 107 107 SER N N 114.190 0.01 1 953 108 108 MET H H 9.214 0.01 1 954 108 108 MET HA H 4.034 0.01 1 955 108 108 MET HB2 H 2.043 0.01 2 956 108 108 MET HB3 H 2.233 0.01 2 957 108 108 MET HG2 H 2.357 0.01 2 958 108 108 MET HG3 H 2.478 0.01 2 959 108 108 MET HE H 2.072 0.01 1 960 108 108 MET C C 174.960 0.01 1 961 108 108 MET CA C 60.880 0.01 1 962 108 108 MET CE C 18.183 0.01 1 963 108 108 MET N N 121.050 0.01 1 964 109 109 LEU H H 7.973 0.01 1 965 109 109 LEU HA H 3.839 0.01 1 966 109 109 LEU HB2 H 2.235 0.01 2 967 109 109 LEU HB3 H 2.235 0.01 2 968 109 109 LEU HG H 2.071 0.01 1 969 109 109 LEU HD1 H 0.903 0.01 1 970 109 109 LEU HD2 H 0.872 0.01 1 971 109 109 LEU C C 178.280 0.01 1 972 109 109 LEU CA C 58.950 0.01 1 973 109 109 LEU CD1 C 21.670 0.01 2 974 109 109 LEU N N 117.910 0.01 1 975 110 110 TYR H H 7.288 0.01 1 976 110 110 TYR HA H 4.155 0.01 1 977 110 110 TYR HB2 H 2.843 0.01 2 978 110 110 TYR HB3 H 2.843 0.01 2 979 110 110 TYR HD1 H 6.931 0.01 3 980 110 110 TYR HD2 H 6.931 0.01 3 981 110 110 TYR HE1 H 6.572 0.01 3 982 110 110 TYR HE2 H 6.572 0.01 3 983 110 110 TYR C C 178.640 0.01 1 984 110 110 TYR CA C 61.950 0.01 1 985 110 110 TYR CB C 38.900 0.01 1 986 110 110 TYR N N 115.370 0.01 1 987 111 111 VAL H H 8.456 0.01 1 988 111 111 VAL HA H 3.593 0.01 1 989 111 111 VAL HB H 2.028 0.01 1 990 111 111 VAL HG1 H 1.007 0.01 1 991 111 111 VAL HG2 H 0.730 0.01 1 992 111 111 VAL C C 178.350 0.01 1 993 111 111 VAL CA C 66.520 0.01 1 994 111 111 VAL CB C 32.270 0.01 1 995 111 111 VAL CG1 C 21.627 0.01 2 996 111 111 VAL CG2 C 23.522 0.01 2 997 111 111 VAL N N 120.060 0.01 1 998 112 112 LEU H H 8.758 0.01 1 999 112 112 LEU HA H 4.059 0.01 1 1000 112 112 LEU HB2 H 2.051 0.01 2 1001 112 112 LEU HB3 H 2.051 0.01 2 1002 112 112 LEU HG H 1.992 0.01 1 1003 112 112 LEU HD1 H 0.852 0.01 1 1004 112 112 LEU HD2 H 0.894 0.01 1 1005 112 112 LEU C C 178.730 0.01 1 1006 112 112 LEU CA C 58.610 0.01 1 1007 112 112 LEU CB C 40.560 0.01 1 1008 112 112 LEU CD1 C 21.498 0.01 2 1009 112 112 LEU N N 118.770 0.01 1 1010 113 113 SER H H 7.437 0.01 1 1011 113 113 SER HA H 4.299 0.01 1 1012 113 113 SER HB2 H 4.020 0.01 2 1013 113 113 SER HB3 H 4.020 0.01 2 1014 113 113 SER C C 176.870 0.01 1 1015 113 113 SER CA C 62.330 0.01 1 1016 113 113 SER CB C 63.070 0.01 1 1017 113 113 SER N N 114.190 0.01 1 1018 114 114 ILE H H 7.482 0.01 1 1019 114 114 ILE HA H 3.950 0.01 1 1020 114 114 ILE HB H 2.127 0.01 1 1021 114 114 ILE HG12 H 1.191 0.01 2 1022 114 114 ILE HG13 H 1.588 0.01 2 1023 114 114 ILE HG2 H 1.040 0.01 1 1024 114 114 ILE HD1 H 0.833 0.01 1 1025 114 114 ILE C C 178.540 0.01 1 1026 114 114 ILE CA C 64.430 0.01 1 1027 114 114 ILE CB C 38.430 0.01 1 1028 114 114 ILE CD1 C 13.232 0.01 1 1029 114 114 ILE N N 123.670 0.01 1 1030 115 115 THR H H 9.013 0.01 1 1031 115 115 THR HA H 3.925 0.01 1 1032 115 115 THR HG2 H 1.067 0.01 1 1033 115 115 THR C C 177.240 0.01 1 1034 115 115 THR CA C 67.550 0.01 1 1035 115 115 THR CB C 68.280 0.01 1 1036 115 115 THR N N 119.290 0.01 1 1037 116 116 HIS H H 8.942 0.01 1 1038 116 116 HIS HA H 3.936 0.01 1 1039 116 116 HIS HB2 H 3.138 0.01 2 1040 116 116 HIS HB3 H 3.419 0.01 2 1041 116 116 HIS HD1 H 6.980 0.01 1 1042 116 116 HIS HE1 H 7.670 0.01 1 1043 116 116 HIS C C 178.130 0.01 1 1044 116 116 HIS CA C 62.540 0.01 1 1045 116 116 HIS CB C 31.640 0.01 1 1046 116 116 HIS N N 119.810 0.01 1 1047 117 117 ARG H H 7.455 0.01 1 1048 117 117 ARG HA H 4.114 0.01 1 1049 117 117 ARG HB2 H 2.162 0.01 2 1050 117 117 ARG HB3 H 2.284 0.01 2 1051 117 117 ARG HG2 H 1.666 0.01 2 1052 117 117 ARG HG3 H 1.909 0.01 2 1053 117 117 ARG HD2 H 3.323 0.01 2 1054 117 117 ARG HD3 H 3.434 0.01 2 1055 117 117 ARG C C 179.800 0.01 1 1056 117 117 ARG CA C 60.230 0.01 1 1057 117 117 ARG CB C 30.610 0.01 1 1058 117 117 ARG N N 121.200 0.01 1 1059 118 118 GLU H H 8.416 0.01 1 1060 118 118 GLU HA H 4.472 0.01 1 1061 118 118 GLU HB2 H 2.278 0.01 2 1062 118 118 GLU HB3 H 2.278 0.01 2 1063 118 118 GLU HG2 H 2.580 0.01 2 1064 118 118 GLU HG3 H 2.580 0.01 2 1065 118 118 GLU C C 180.390 0.01 1 1066 118 118 GLU CA C 59.340 0.01 1 1067 118 118 GLU CB C 31.400 0.01 1 1068 118 118 GLU N N 119.840 0.01 1 1069 119 119 LEU H H 9.099 0.01 1 1070 119 119 LEU HA H 4.123 0.01 1 1071 119 119 LEU HB2 H 1.871 0.01 2 1072 119 119 LEU HB3 H 2.004 0.01 2 1073 119 119 LEU HG H 1.187 0.01 1 1074 119 119 LEU HD1 H 0.896 0.01 1 1075 119 119 LEU HD2 H 0.796 0.01 1 1076 119 119 LEU C C 178.920 0.01 1 1077 119 119 LEU CA C 57.450 0.01 1 1078 119 119 LEU CB C 42.380 0.01 1 1079 119 119 LEU N N 119.370 0.01 1 1080 120 120 SER H H 8.267 0.01 1 1081 120 120 SER HA H 3.967 0.01 1 1082 120 120 SER HB2 H 3.734 0.01 2 1083 120 120 SER HB3 H 3.734 0.01 2 1084 120 120 SER C C 176.280 0.01 1 1085 120 120 SER CA C 63.140 0.01 1 1086 120 120 SER CB C 62.600 0.01 1 1087 120 120 SER N N 117.210 0.01 1 1088 121 121 SER H H 7.787 0.01 1 1089 121 121 SER HA H 4.296 0.01 1 1090 121 121 SER HB2 H 4.224 0.01 2 1091 121 121 SER HB3 H 4.224 0.01 2 1092 121 121 SER C C 177.070 0.01 1 1093 121 121 SER CA C 61.990 0.01 1 1094 121 121 SER CB C 62.990 0.01 1 1095 121 121 SER N N 118.370 0.01 1 1096 122 122 LEU H H 7.920 0.01 1 1097 122 122 LEU HA H 3.182 0.01 1 1098 122 122 LEU HB2 H 1.287 0.01 2 1099 122 122 LEU HB3 H 1.287 0.01 2 1100 122 122 LEU HG H 1.226 0.01 1 1101 122 122 LEU HD1 H 0.720 0.01 1 1102 122 122 LEU HD2 H -0.218 0.01 1 1103 122 122 LEU C C 176.810 0.01 1 1104 122 122 LEU CA C 57.710 0.01 1 1105 122 122 LEU CD2 C 20.379 0.01 2 1106 122 122 LEU N N 123.680 0.01 1 1107 123 123 LYS H H 8.237 0.01 1 1108 123 123 LYS HA H 3.602 0.01 1 1109 123 123 LYS HB2 H 1.694 0.01 2 1110 123 123 LYS HB3 H 2.065 0.01 2 1111 123 123 LYS HG2 H 1.501 0.01 2 1112 123 123 LYS HG3 H 1.501 0.01 2 1113 123 123 LYS HD2 H 1.554 0.01 2 1114 123 123 LYS HD3 H 1.554 0.01 2 1115 123 123 LYS C C 178.330 0.01 1 1116 123 123 LYS CA C 60.490 0.01 1 1117 123 123 LYS CB C 32.270 0.01 1 1118 123 123 LYS N N 119.980 0.01 1 1119 124 124 ASN H H 7.324 0.01 1 1120 124 124 ASN HA H 4.335 0.01 1 1121 124 124 ASN HB2 H 2.781 0.01 2 1122 124 124 ASN HB3 H 2.781 0.01 2 1123 124 124 ASN HD21 H 6.840 0.01 2 1124 124 124 ASN HD22 H 7.517 0.01 2 1125 124 124 ASN C C 177.770 0.01 1 1126 124 124 ASN CA C 56.260 0.01 1 1127 124 124 ASN CB C 38.270 0.01 1 1128 124 124 ASN N N 116.180 0.01 1 1129 125 125 LYS H H 7.732 0.01 1 1130 125 125 LYS HA H 3.350 0.01 1 1131 125 125 LYS HB2 H -0.140 0.01 2 1132 125 125 LYS HB3 H 0.901 0.01 2 1133 125 125 LYS HG2 H -0.103 0.01 2 1134 125 125 LYS HG3 H 0.631 0.01 2 1135 125 125 LYS HD2 H 1.222 0.01 2 1136 125 125 LYS HD3 H 1.272 0.01 2 1137 125 125 LYS HE2 H 2.618 0.01 2 1138 125 125 LYS HE3 H 2.751 0.01 2 1139 125 125 LYS C C 177.200 0.01 1 1140 125 125 LYS CA C 56.940 0.01 1 1141 125 125 LYS CB C 29.510 0.01 1 1142 125 125 LYS N N 122.150 0.01 1 1143 126 126 ILE H H 8.116 0.01 1 1144 126 126 ILE HA H 3.566 0.01 1 1145 126 126 ILE HB H 1.822 0.01 1 1146 126 126 ILE HG12 H 1.538 0.01 2 1147 126 126 ILE HG13 H 1.680 0.01 2 1148 126 126 ILE HG2 H 0.979 0.01 1 1149 126 126 ILE HD1 H 0.661 0.01 1 1150 126 126 ILE C C 177.540 0.01 1 1151 126 126 ILE CA C 66.310 0.01 1 1152 126 126 ILE CB C 37.800 0.01 1 1153 126 126 ILE CG2 C 19.044 0.01 1 1154 126 126 ILE CD1 C 15.083 0.01 1 1155 126 126 ILE N N 118.400 0.01 1 1156 127 127 ASP H H 7.191 0.01 1 1157 127 127 ASP HA H 4.296 0.01 1 1158 127 127 ASP HB2 H 2.550 0.01 2 1159 127 127 ASP HB3 H 2.710 0.01 2 1160 127 127 ASP C C 178.620 0.01 1 1161 127 127 ASP CA C 58.100 0.01 1 1162 127 127 ASP CB C 40.640 0.01 1 1163 127 127 ASP N N 117.970 0.01 1 1164 128 128 GLU H H 7.245 0.01 1 1165 128 128 GLU HA H 3.935 0.01 1 1166 128 128 GLU HB2 H 1.960 0.01 2 1167 128 128 GLU HB3 H 1.960 0.01 2 1168 128 128 GLU HG2 H 2.029 0.01 2 1169 128 128 GLU HG3 H 2.306 0.01 2 1170 128 128 GLU C C 180.480 0.01 1 1171 128 128 GLU CA C 59.640 0.01 1 1172 128 128 GLU CB C 29.740 0.01 1 1173 128 128 GLU N N 119.560 0.01 1 1174 129 129 TRP H H 8.934 0.01 1 1175 129 129 TRP HA H 4.580 0.01 1 1176 129 129 TRP HB2 H 2.951 0.01 2 1177 129 129 TRP HB3 H 2.423 0.01 2 1178 129 129 TRP HD1 H 7.055 0.01 1 1179 129 129 TRP HE1 H 10.046 0.01 1 1180 129 129 TRP HE3 H 7.206 0.01 1 1181 129 129 TRP HZ2 H 7.358 0.01 1 1182 129 129 TRP HZ3 H 7.420 0.01 1 1183 129 129 TRP HH2 H 6.408 0.01 1 1184 129 129 TRP C C 179.350 0.01 1 1185 129 129 TRP CA C 58.610 0.01 1 1186 129 129 TRP CB C 29.980 0.01 1 1187 129 129 TRP N N 123.190 0.01 1 1188 129 129 TRP NE1 N 127.77 0.01 1 1189 130 130 LYS H H 8.694 0.01 1 1190 130 130 LYS HA H 4.080 0.01 1 1191 130 130 LYS HB2 H 1.948 0.01 2 1192 130 130 LYS HB3 H 1.948 0.01 2 1193 130 130 LYS HG2 H 1.565 0.01 2 1194 130 130 LYS HG3 H 1.635 0.01 2 1195 130 130 LYS HD2 H 1.786 0.01 2 1196 130 130 LYS HD3 H 1.786 0.01 2 1197 130 130 LYS C C 177.430 0.01 1 1198 130 130 LYS CA C 59.080 0.01 1 1199 130 130 LYS CB C 33.380 0.01 1 1200 130 130 LYS N N 118.150 0.01 1 1201 131 131 LYS H H 7.432 0.01 1 1202 131 131 LYS HA H 4.200 0.01 1 1203 131 131 LYS HB2 H 1.910 0.01 2 1204 131 131 LYS HB3 H 1.990 0.01 2 1205 131 131 LYS HG2 H 1.444 0.01 2 1206 131 131 LYS HG3 H 1.444 0.01 2 1207 131 131 LYS HD2 H 1.697 0.01 2 1208 131 131 LYS HD3 H 1.697 0.01 2 1209 131 131 LYS C C 177.070 0.01 1 1210 131 131 LYS CA C 57.370 0.01 1 1211 131 131 LYS CB C 33.300 0.01 1 1212 131 131 LYS N N 116.980 0.01 1 1213 132 132 VAL H H 7.242 0.01 1 1214 132 132 VAL HA H 3.828 0.01 1 1215 132 132 VAL HB H 2.241 0.01 1 1216 132 132 VAL HG1 H 0.887 0.01 1 1217 132 132 VAL HG2 H 1.190 0.01 1 1218 132 132 VAL C C 176.230 0.01 1 1219 132 132 VAL CA C 64.850 0.01 1 1220 132 132 VAL CB C 31.480 0.01 1 1221 132 132 VAL CG1 C 21.670 0.01 2 1222 132 132 VAL CG2 C 22.273 0.01 2 1223 132 132 VAL N N 120.920 0.01 1 1224 133 133 LYS H H 8.297 0.01 1 1225 133 133 LYS HA H 4.469 0.01 1 1226 133 133 LYS HB2 H 1.707 0.01 2 1227 133 133 LYS HB3 H 1.877 0.01 2 1228 133 133 LYS HG2 H 1.463 0.01 2 1229 133 133 LYS HG3 H 1.463 0.01 2 1230 133 133 LYS HD2 H 1.511 0.01 2 1231 133 133 LYS HD3 H 1.511 0.01 2 1232 133 133 LYS C C 175.720 0.01 1 1233 133 133 LYS CA C 55.360 0.01 1 1234 133 133 LYS CB C 34.720 0.01 1 1235 133 133 LYS N N 128.310 0.01 1 1236 134 134 ALA H H 8.215 0.01 1 1237 134 134 ALA HA H 4.317 0.01 1 1238 134 134 ALA HB H 1.431 0.01 1 1239 134 134 ALA C C 178.010 0.01 1 1240 134 134 ALA CA C 52.450 0.01 1 1241 134 134 ALA CB C 19.480 0.01 1 1242 134 134 ALA N N 123.150 0.01 1 1243 135 135 SER H H 8.192 0.01 1 1244 135 135 SER HA H 4.698 0.01 1 1245 135 135 SER HB2 H 3.820 0.01 2 1246 135 135 SER HB3 H 3.998 0.01 2 1247 135 135 SER C C 175.360 0.01 1 1248 135 135 SER CA C 57.670 0.01 1 1249 135 135 SER CB C 65.200 0.01 1 1250 135 135 SER N N 114.370 0.01 1 1251 136 136 GLU H H 8.856 0.01 1 1252 136 136 GLU HB2 H 2.035 0.01 2 1253 136 136 GLU HB3 H 2.147 0.01 2 1254 136 136 GLU HG2 H 2.332 0.01 2 1255 136 136 GLU HG3 H 2.332 0.01 2 1256 136 136 GLU C C 176.560 0.01 1 1257 136 136 GLU CA C 58.390 0.01 1 1258 136 136 GLU CB C 29.580 0.01 1 1259 136 136 GLU N N 122.860 0.01 1 1260 137 137 ASP H H 8.138 0.01 1 1261 137 137 ASP HA H 4.525 0.01 1 1262 137 137 ASP HB2 H 2.661 0.01 2 1263 137 137 ASP HB3 H 2.944 0.01 2 1264 137 137 ASP C C 176.900 0.01 1 1265 137 137 ASP CA C 54.290 0.01 1 1266 137 137 ASP CB C 40.480 0.01 1 1267 137 137 ASP N N 118.310 0.01 1 1268 138 138 GLY H H 8.027 0.01 1 1269 138 138 GLY HA2 H 3.739 0.01 2 1270 138 138 GLY HA3 H 4.360 0.01 2 1271 138 138 GLY C C 174.940 0.01 1 1272 138 138 GLY CA C 45.560 0.01 1 1273 138 138 GLY N N 108.170 0.01 1 1274 139 139 THR H H 8.009 0.01 1 1275 139 139 THR HA H 4.135 0.01 1 1276 139 139 THR HG2 H 1.209 0.01 1 1277 139 139 THR C C 174.380 0.01 1 1278 139 139 THR CA C 64.600 0.01 1 1279 139 139 THR CB C 69.550 0.01 1 1280 139 139 THR CG2 C 22.273 0.01 1 1281 139 139 THR N N 117.720 0.01 1 1282 140 140 LYS H H 8.477 0.01 1 1283 140 140 LYS HA H 4.642 0.01 1 1284 140 140 LYS HB2 H 1.719 0.01 2 1285 140 140 LYS HB3 H 2.007 0.01 2 1286 140 140 LYS HG2 H 1.453 0.01 2 1287 140 140 LYS HG3 H 1.453 0.01 2 1288 140 140 LYS HD2 H 1.573 0.01 2 1289 140 140 LYS HD3 H 1.573 0.01 2 1290 140 140 LYS C C 177.190 0.01 1 1291 140 140 LYS CA C 55.230 0.01 1 1292 140 140 LYS CB C 35.030 0.01 1 1293 140 140 LYS N N 125.620 0.01 1 1294 141 141 VAL H H 7.985 0.01 1 1295 141 141 VAL HA H 3.924 0.01 1 1296 141 141 VAL HB H 2.172 0.01 1 1297 141 141 VAL HG1 H 1.037 0.01 1 1298 141 141 VAL HG2 H 0.909 0.01 1 1299 141 141 VAL C C 175.620 0.01 1 1300 141 141 VAL CA C 62.590 0.01 1 1301 141 141 VAL CG1 C 22.015 0.01 2 1302 141 141 VAL CG2 C 19.862 0.01 2 1303 141 141 VAL N N 116.850 0.01 1 1304 142 142 ILE H H 8.395 0.01 1 1305 142 142 ILE HA H 3.865 0.01 1 1306 142 142 ILE HB H 1.625 0.01 1 1307 142 142 ILE HG2 H 0.760 0.01 1 1308 142 142 ILE HD1 H 0.601 0.01 1 1309 142 142 ILE C C 175.660 0.01 1 1310 142 142 ILE CA C 62.330 0.01 1 1311 142 142 ILE CG2 C 18.054 0.01 1 1312 142 142 ILE CD1 C 14.093 0.01 1 1313 142 142 ILE N N 123.310 0.01 1 1314 143 143 GLN H H 9.309 0.01 1 1315 143 143 GLN HA H 4.395 0.01 1 1316 143 143 GLN HB2 H 1.898 0.01 2 1317 143 143 GLN HB3 H 2.126 0.01 2 1318 143 143 GLN HG2 H 2.293 0.01 2 1319 143 143 GLN HG3 H 2.399 0.01 2 1320 143 143 GLN HE21 H 6.840 0.01 2 1321 143 143 GLN HE22 H 7.470 0.01 2 1322 143 143 GLN C C 176.640 0.01 1 1323 143 143 GLN CA C 57.280 0.01 1 1324 143 143 GLN CB C 31.010 0.01 1 1325 143 143 GLN N N 126.470 0.01 1 1326 144 144 ASN H H 7.606 0.01 1 1327 144 144 ASN HA H 4.832 0.01 1 1328 144 144 ASN HB2 H 2.472 0.01 2 1329 144 144 ASN HB3 H 2.816 0.01 2 1330 144 144 ASN HD21 H 7.000 0.01 2 1331 144 144 ASN HD22 H 7.636 0.01 2 1332 144 144 ASN C C 174.980 0.01 1 1333 144 144 ASN CA C 52.450 0.01 1 1334 144 144 ASN CB C 40.720 0.01 1 1335 144 144 ASN N N 112.670 0.01 1 1336 145 145 ILE H H 7.717 0.01 1 1337 145 145 ILE HA H 3.993 0.01 1 1338 145 145 ILE HB H 1.814 0.01 1 1339 145 145 ILE HG12 H 1.094 0.01 2 1340 145 145 ILE HG13 H 1.184 0.01 2 1341 145 145 ILE HG2 H 0.787 0.01 1 1342 145 145 ILE HD1 H 0.323 0.01 1 1343 145 145 ILE C C 175.850 0.01 1 1344 145 145 ILE CA C 64.080 0.01 1 1345 145 145 ILE CB C 35.110 0.01 1 1346 145 145 ILE CG2 C 18.829 0.01 1 1347 145 145 ILE CD1 C 15.385 0.01 1 1348 145 145 ILE N N 109.260 0.01 1 1349 146 146 LYS H H 8.012 0.01 1 1350 146 146 LYS HA H 3.994 0.01 1 1351 146 146 LYS HB2 H 1.584 0.01 2 1352 146 146 LYS HB3 H 1.862 0.01 2 1353 146 146 LYS HD2 H 1.455 0.01 2 1354 146 146 LYS HD3 H 1.455 0.01 2 1355 146 146 LYS C C 176.360 0.01 1 1356 146 146 LYS CA C 57.150 0.01 1 1357 146 146 LYS CB C 31.010 0.01 1 1358 146 146 LYS N N 118.050 0.01 1 1359 147 147 ASP H H 7.182 0.01 1 1360 147 147 ASP HA H 4.306 0.01 1 1361 147 147 ASP HB2 H 2.850 0.01 2 1362 147 147 ASP HB3 H 2.880 0.01 2 1363 147 147 ASP C C 176.450 0.01 1 1364 147 147 ASP CA C 55.230 0.01 1 1365 147 147 ASP CB C 44.120 0.01 1 1366 147 147 ASP N N 122.790 0.01 1 1367 148 148 ASP H H 8.927 0.01 1 1368 148 148 ASP HA H 4.451 0.01 1 1369 148 148 ASP HB2 H 2.653 0.01 2 1370 148 148 ASP HB3 H 2.753 0.01 2 1371 148 148 ASP C C 177.980 0.01 1 1372 148 148 ASP CA C 57.750 0.01 1 1373 148 148 ASP CB C 41.120 0.01 1 1374 148 148 ASP N N 128.410 0.01 1 1375 149 149 ARG H H 9.733 0.01 1 1376 149 149 ARG HA H 4.162 0.01 1 1377 149 149 ARG HB2 H 1.667 0.01 2 1378 149 149 ARG HB3 H 1.723 0.01 2 1379 149 149 ARG HG2 H 1.891 0.01 2 1380 149 149 ARG HG3 H 1.935 0.01 2 1381 149 149 ARG C C 177.710 0.01 1 1382 149 149 ARG CA C 58.690 0.01 1 1383 149 149 ARG N N 117.420 0.01 1 1384 150 150 THR H H 7.688 0.01 1 1385 150 150 THR HA H 4.094 0.01 1 1386 150 150 THR HB H 3.194 0.01 1 1387 150 150 THR HG2 H -0.346 0.01 1 1388 150 150 THR C C 177.170 0.01 1 1389 150 150 THR CA C 62.160 0.01 1 1390 150 150 THR CB C 69.940 0.01 1 1391 150 150 THR CG2 C 21.412 0.01 1 1392 150 150 THR N N 107.520 0.01 1 1393 151 151 ASN H H 8.717 0.01 1 1394 151 151 ASN HA H 4.522 0.01 1 1395 151 151 ASN HB2 H 2.842 0.01 2 1396 151 151 ASN HB3 H 2.842 0.01 2 1397 151 151 ASN HD21 H 6.969 0.01 2 1398 151 151 ASN HD22 H 7.258 0.01 2 1399 151 151 ASN C C 177.520 0.01 1 1400 151 151 ASN CA C 57.620 0.01 1 1401 151 151 ASN CB C 38.350 0.01 1 1402 151 151 ASN N N 121.660 0.01 1 1403 152 152 THR H H 7.823 0.01 1 1404 152 152 THR HA H 3.988 0.01 1 1405 152 152 THR HB H 4.372 0.01 1 1406 152 152 THR HG2 H 1.428 0.01 1 1407 152 152 THR C C 177.340 0.01 1 1408 152 152 THR CA C 65.410 0.01 1 1409 152 152 THR CB C 68.280 0.01 1 1410 152 152 THR CG2 C 22.661 0.01 1 1411 152 152 THR N N 112.410 0.01 1 1412 153 153 TRP H H 8.072 0.01 1 1413 153 153 TRP HA H 4.267 0.01 1 1414 153 153 TRP HB2 H 3.534 0.01 2 1415 153 153 TRP HB3 H 3.735 0.01 2 1416 153 153 TRP HD1 H 7.389 0.01 1 1417 153 153 TRP HE1 H 10.250 0.01 1 1418 153 153 TRP HE3 H 5.685 0.01 1 1419 153 153 TRP HZ2 H 6.800 0.01 1 1420 153 153 TRP HZ3 H 6.121 0.01 1 1421 153 153 TRP HH2 H 6.365 0.01 1 1422 153 153 TRP CA C 63.010 0.01 1 1423 153 153 TRP N N 124.340 0.01 1 1424 153 153 TRP NE1 N 129.60 0.01 1 1425 154 154 PHE H H 7.802 0.01 1 1426 154 154 PHE HA H 4.238 0.01 1 1427 154 154 PHE HB2 H 3.070 0.01 2 1428 154 154 PHE HB3 H 3.260 0.01 2 1429 154 154 PHE HD1 H 7.006 0.01 3 1430 154 154 PHE HD2 H 7.006 0.01 3 1431 154 154 PHE HE1 H 7.204 0.01 3 1432 154 154 PHE HE2 H 7.204 0.01 3 1433 154 154 PHE C C 178.960 0.01 1 1434 154 154 PHE CA C 64.680 0.01 1 1435 154 154 PHE N N 118.820 0.01 1 1436 155 155 VAL H H 8.699 0.01 1 1437 155 155 VAL HA H 4.605 0.01 1 1438 155 155 VAL HB H 2.136 0.01 1 1439 155 155 VAL HG1 H 1.060 0.01 1 1440 155 155 VAL HG2 H 1.202 0.01 1 1441 155 155 VAL C C 180.440 0.01 1 1442 155 155 VAL CA C 66.270 0.01 1 1443 155 155 VAL CG2 C 23.177 0.01 2 1444 155 155 VAL N N 124.010 0.01 1 1445 156 156 ALA H H 7.984 0.01 1 1446 156 156 ALA HA H 4.156 0.01 1 1447 156 156 ALA HB H 1.297 0.01 1 1448 156 156 ALA C C 178.070 0.01 1 1449 156 156 ALA CA C 54.200 0.01 1 1450 156 156 ALA CB C 18.210 0.01 1 1451 156 156 ALA N N 121.800 0.01 1 1452 157 157 HIS H H 7.391 0.01 1 1453 157 157 HIS HA H 4.685 0.01 1 1454 157 157 HIS HB2 H 2.365 0.01 2 1455 157 157 HIS HB3 H 3.736 0.01 2 1456 157 157 HIS C C 173.010 0.01 1 1457 157 157 HIS CA C 56.900 0.01 1 1458 157 157 HIS CB C 28.210 0.01 1 1459 157 157 HIS N N 113.440 0.01 1 1460 158 158 GLY H H 7.648 0.01 1 1461 158 158 GLY HA2 H 3.769 0.01 2 1462 158 158 GLY HA3 H 4.297 0.01 2 1463 158 158 GLY C C 174.420 0.01 1 1464 158 158 GLY CA C 46.030 0.01 1 1465 158 158 GLY N N 104.180 0.01 1 1466 159 159 PHE H H 8.313 0.01 1 1467 159 159 PHE HA H 4.599 0.01 1 1468 159 159 PHE HB2 H 2.888 0.01 2 1469 159 159 PHE HB3 H 2.988 0.01 2 1470 159 159 PHE HD1 H 7.631 0.01 3 1471 159 159 PHE HD2 H 7.631 0.01 3 1472 159 159 PHE HE1 H 7.249 0.01 3 1473 159 159 PHE HE2 H 7.249 0.01 3 1474 159 159 PHE HZ H 7.050 0.01 1 1475 159 159 PHE C C 175.080 0.01 1 1476 159 159 PHE CA C 57.750 0.01 1 1477 159 159 PHE CB C 40.400 0.01 1 1478 159 159 PHE N N 118.540 0.01 1 1479 160 160 LYS H H 9.017 0.01 1 1480 160 160 LYS HA H 4.686 0.01 1 1481 160 160 LYS HB2 H 1.626 0.01 2 1482 160 160 LYS HB3 H 1.873 0.01 2 1483 160 160 LYS HG2 H 1.425 0.01 2 1484 160 160 LYS HG3 H 1.425 0.01 2 1485 160 160 LYS HD2 H 1.595 0.01 2 1486 160 160 LYS HD3 H 1.595 0.01 2 1487 160 160 LYS C C 178.230 0.01 1 1488 160 160 LYS CA C 55.060 0.01 1 1489 160 160 LYS CB C 33.530 0.01 1 1490 160 160 LYS N N 120.730 0.01 1 1491 161 161 VAL H H 8.701 0.01 1 1492 161 161 VAL HA H 3.468 0.01 1 1493 161 161 VAL HB H 1.984 0.01 1 1494 161 161 VAL HG1 H 0.950 0.01 1 1495 161 161 VAL HG2 H 0.980 0.01 1 1496 161 161 VAL C C 178.090 0.01 1 1497 161 161 VAL CA C 67.460 0.01 1 1498 161 161 VAL CB C 31.320 0.01 1 1499 161 161 VAL CG1 C 21.670 0.01 2 1500 161 161 VAL CG2 C 23.138 0.01 2 1501 161 161 VAL N N 124.990 0.01 1 1502 162 162 ALA H H 8.482 0.01 1 1503 162 162 ALA HA H 4.194 0.01 1 1504 162 162 ALA HB H 1.413 0.01 1 1505 162 162 ALA C C 178.640 0.01 1 1506 162 162 ALA CA C 54.250 0.01 1 1507 162 162 ALA CB C 19.160 0.01 1 1508 162 162 ALA N N 118.140 0.01 1 1509 163 163 GLU H H 7.622 0.01 1 1510 163 163 GLU HA H 4.454 0.01 1 1511 163 163 GLU HB2 H 2.216 0.01 2 1512 163 163 GLU HB3 H 2.286 0.01 2 1513 163 163 GLU HG2 H 2.498 0.01 2 1514 163 163 GLU HG3 H 2.498 0.01 2 1515 163 163 GLU C C 176.110 0.01 1 1516 163 163 GLU CA C 55.570 0.01 1 1517 163 163 GLU CB C 30.690 0.01 1 1518 163 163 GLU N N 115.120 0.01 1 1519 164 164 LEU H H 7.340 0.01 1 1520 164 164 LEU HA H 5.020 0.01 1 1521 164 164 LEU HB2 H 1.687 0.01 2 1522 164 164 LEU HB3 H 1.916 0.01 2 1523 164 164 LEU HG H 1.405 0.01 1 1524 164 164 LEU HD1 H 0.494 0.01 1 1525 164 164 LEU HD2 H 0.449 0.01 1 1526 164 164 LEU C C 177.940 0.01 1 1527 164 164 LEU CA C 54.160 0.01 1 1528 164 164 LEU CB C 42.850 0.01 1 1529 164 164 LEU CD1 C 22.962 0.01 2 1530 164 164 LEU CD2 C 25.416 0.01 2 1531 164 164 LEU N N 121.040 0.01 1 1532 165 165 ASN H H 8.419 0.01 1 1533 165 165 ASN HA H 4.587 0.01 1 1534 165 165 ASN HB2 H 2.460 0.01 2 1535 165 165 ASN HB3 H 2.685 0.01 2 1536 165 165 ASN HD21 H 6.481 0.01 2 1537 165 165 ASN HD22 H 6.896 0.01 2 1538 165 165 ASN C C 176.750 0.01 1 1539 165 165 ASN CA C 52.190 0.01 1 1540 165 165 ASN CB C 39.690 0.01 1 1541 165 165 ASN N N 120.320 0.01 1 1542 166 166 ASP H H 8.299 0.01 1 1543 166 166 ASP HA H 4.435 0.01 1 1544 166 166 ASP HB2 H 2.492 0.01 2 1545 166 166 ASP HB3 H 2.492 0.01 2 1546 166 166 ASP C C 175.620 0.01 1 1547 166 166 ASP CA C 53.350 0.01 1 1548 166 166 ASP CB C 38.900 0.01 1 1549 166 166 ASP N N 120.010 0.01 1 1550 167 167 VAL H H 7.361 0.01 1 1551 167 167 VAL HA H 4.220 0.01 1 1552 167 167 VAL HB H 1.828 0.01 1 1553 167 167 VAL HG1 H 0.979 0.01 1 1554 167 167 VAL HG2 H 0.998 0.01 1 1555 167 167 VAL C C 175.530 0.01 1 1556 167 167 VAL CA C 61.520 0.01 1 1557 167 167 VAL CB C 33.930 0.01 1 1558 167 167 VAL CG1 C 22.144 0.01 2 1559 167 167 VAL CG2 C 23.134 0.01 2 1560 167 167 VAL N N 121.580 0.01 1 1561 168 168 THR H H 8.142 0.01 1 1562 168 168 THR HA H 4.816 0.01 1 1563 168 168 THR HB H 4.522 0.01 1 1564 168 168 THR HG2 H 1.490 0.01 1 1565 168 168 THR C C 175.570 0.01 1 1566 168 168 THR CA C 61.430 0.01 1 1567 168 168 THR CB C 70.970 0.01 1 1568 168 168 THR CG2 C 22.445 0.01 1 1569 168 168 THR N N 116.400 0.01 1 1570 169 169 LEU H H 8.237 0.01 1 1571 169 169 LEU HA H 3.944 0.01 1 1572 169 169 LEU HB2 H 1.588 0.01 2 1573 169 169 LEU HB3 H 1.918 0.01 2 1574 169 169 LEU HG H 1.409 0.01 1 1575 169 169 LEU HD1 H 0.950 0.01 1 1576 169 169 LEU HD2 H 0.950 0.01 1 1577 169 169 LEU C C 179.070 0.01 1 1578 169 169 LEU CA C 58.440 0.01 1 1579 169 169 LEU CB C 41.120 0.01 1 1580 169 169 LEU N N 118.800 0.01 1 1581 170 170 GLU H H 8.474 0.01 1 1582 170 170 GLU HA H 4.010 0.01 1 1583 170 170 GLU HB2 H 1.942 0.01 2 1584 170 170 GLU HB3 H 2.060 0.01 2 1585 170 170 GLU HG2 H 2.271 0.01 2 1586 170 170 GLU HG3 H 2.317 0.01 2 1587 170 170 GLU C C 178.900 0.01 1 1588 170 170 GLU CA C 59.810 0.01 1 1589 170 170 GLU CB C 29.510 0.01 1 1590 170 170 GLU N N 116.560 0.01 1 1591 171 171 LYS H H 7.684 0.01 1 1592 171 171 LYS HA H 4.136 0.01 1 1593 171 171 LYS HB2 H 1.840 0.01 2 1594 171 171 LYS HB3 H 1.840 0.01 2 1595 171 171 LYS HG2 H 1.297 0.01 2 1596 171 171 LYS HG3 H 1.297 0.01 2 1597 171 171 LYS HD2 H 1.427 0.01 2 1598 171 171 LYS HD3 H 1.427 0.01 2 1599 171 171 LYS C C 178.920 0.01 1 1600 171 171 LYS CA C 59.080 0.01 1 1601 171 171 LYS N N 120.690 0.01 1 1602 172 172 LEU H H 8.138 0.01 1 1603 172 172 LEU HA H 3.951 0.01 1 1604 172 172 LEU HB2 H 1.908 0.01 2 1605 172 172 LEU HB3 H 1.908 0.01 2 1606 172 172 LEU HG H 1.657 0.01 1 1607 172 172 LEU HD1 H 0.965 0.01 1 1608 172 172 LEU HD2 H 0.875 0.01 1 1609 172 172 LEU C C 177.940 0.01 1 1610 172 172 LEU CA C 58.520 0.01 1 1611 172 172 LEU CB C 41.830 0.01 1 1612 172 172 LEU CD1 C 22.015 0.01 2 1613 172 172 LEU CD2 C 24.383 0.01 2 1614 172 172 LEU N N 118.480 0.01 1 1615 173 173 ALA H H 8.739 0.01 1 1616 173 173 ALA HA H 3.817 0.01 1 1617 173 173 ALA HB H 1.522 0.01 1 1618 173 173 ALA C C 180.050 0.01 1 1619 173 173 ALA CA C 55.870 0.01 1 1620 173 173 ALA CB C 18.610 0.01 1 1621 173 173 ALA N N 118.900 0.01 1 1622 174 174 THR H H 7.603 0.01 1 1623 174 174 THR HA H 3.968 0.01 1 1624 174 174 THR HB H 4.296 0.01 1 1625 174 174 THR HG2 H 1.266 0.01 1 1626 174 174 THR C C 176.300 0.01 1 1627 174 174 THR CA C 67.080 0.01 1 1628 174 174 THR CB C 69.390 0.01 1 1629 174 174 THR CG2 C 21.626 0.01 1 1630 174 174 THR N N 113.320 0.01 1 1631 175 175 VAL H H 7.558 0.01 1 1632 175 175 VAL HA H 3.965 0.01 1 1633 175 175 VAL HB H 2.142 0.01 1 1634 175 175 VAL HG1 H 1.056 0.01 1 1635 175 175 VAL HG2 H 1.099 0.01 1 1636 175 175 VAL C C 177.960 0.01 1 1637 175 175 VAL CA C 66.010 0.01 1 1638 175 175 VAL CB C 31.560 0.01 1 1639 175 175 VAL CG1 C 18.528 0.01 2 1640 175 175 VAL N N 119.380 0.01 1 1641 176 176 VAL H H 8.583 0.01 1 1642 176 176 VAL HA H 3.529 0.01 1 1643 176 176 VAL HB H 1.996 0.01 1 1644 176 176 VAL HG1 H 0.826 0.01 1 1645 176 176 VAL HG2 H 0.928 0.01 1 1646 176 176 VAL C C 178.030 0.01 1 1647 176 176 VAL CA C 67.980 0.01 1 1648 176 176 VAL CB C 31.010 0.01 1 1649 176 176 VAL CG1 C 22.316 0.01 2 1650 176 176 VAL N N 119.720 0.01 1 1651 177 177 ASN H H 8.386 0.01 1 1652 177 177 ASN HA H 4.364 0.01 1 1653 177 177 ASN HB2 H 2.799 0.01 2 1654 177 177 ASN HB3 H 2.947 0.01 2 1655 177 177 ASN HD21 H 6.969 0.01 2 1656 177 177 ASN HD22 H 7.611 0.01 2 1657 177 177 ASN C C 178.070 0.01 1 1658 177 177 ASN CA C 57.030 0.01 1 1659 177 177 ASN CB C 38.820 0.01 1 1660 177 177 ASN N N 117.380 0.01 1 1661 178 178 GLU H H 7.940 0.01 1 1662 178 178 GLU HA H 3.962 0.01 1 1663 178 178 GLU HB2 H 2.099 0.01 2 1664 178 178 GLU HB3 H 2.294 0.01 2 1665 178 178 GLU HG2 H 2.610 0.01 2 1666 178 178 GLU HG3 H 2.610 0.01 2 1667 178 178 GLU C C 177.660 0.01 1 1668 178 178 GLU CA C 59.340 0.01 1 1669 178 178 GLU CB C 29.660 0.01 1 1670 178 178 GLU N N 118.920 0.01 1 1671 179 179 LEU H H 7.505 0.01 1 1672 179 179 LEU HA H 4.425 0.01 1 1673 179 179 LEU HB2 H 1.767 0.01 2 1674 179 179 LEU HB3 H 1.825 0.01 2 1675 179 179 LEU HG H 1.553 0.01 1 1676 179 179 LEU HD1 H 0.836 0.01 1 1677 179 179 LEU HD2 H 0.894 0.01 1 1678 179 179 LEU C C 178.540 0.01 1 1679 179 179 LEU CA C 58.390 0.01 1 1680 179 179 LEU CB C 43.170 0.01 1 1681 179 179 LEU CD1 C 25.933 0.01 2 1682 179 179 LEU N N 118.680 0.01 1 1683 180 180 VAL H H 8.500 0.01 1 1684 180 180 VAL HA H 3.788 0.01 1 1685 180 180 VAL HB H 2.096 0.01 1 1686 180 180 VAL HG1 H 0.883 0.01 1 1687 180 180 VAL HG2 H 0.883 0.01 1 1688 180 180 VAL C C 176.770 0.01 1 1689 180 180 VAL CA C 66.350 0.01 1 1690 180 180 VAL CB C 31.950 0.01 1 1691 180 180 VAL CG1 C 22.488 0.01 2 1692 180 180 VAL CG2 C 23.479 0.01 2 1693 180 180 VAL N N 114.380 0.01 1 1694 181 181 SER H H 7.719 0.01 1 1695 181 181 SER HA H 4.649 0.01 1 1696 181 181 SER HB2 H 3.968 0.01 2 1697 181 181 SER HB3 H 3.968 0.01 2 1698 181 181 SER C C 172.870 0.01 1 1699 181 181 SER CA C 57.410 0.01 1 1700 181 181 SER CB C 63.940 0.01 1 1701 181 181 SER N N 111.600 0.01 1 1702 182 182 HIS H H 7.181 0.01 1 1703 182 182 HIS HA H 4.144 0.01 1 1704 182 182 HIS HB2 H 2.633 0.01 2 1705 182 182 HIS HB3 H 2.964 0.01 2 1706 182 182 HIS HD1 H 7.104 0.01 1 1707 182 182 HIS HE1 H 8.279 0.01 1 1708 182 182 HIS C C 177.890 0.01 1 1709 182 182 HIS CA C 59.040 0.01 1 1710 182 182 HIS CB C 31.950 0.01 1 1711 182 182 HIS N N 124.590 0.01 1 1712 183 183 LYS H H 8.602 0.01 1 1713 183 183 LYS HA H 4.001 0.01 1 1714 183 183 LYS HB2 H 1.790 0.01 2 1715 183 183 LYS HB3 H 1.790 0.01 2 1716 183 183 LYS HG2 H 1.276 0.01 2 1717 183 183 LYS HG3 H 1.276 0.01 2 1718 183 183 LYS HD2 H 1.447 0.01 2 1719 183 183 LYS HD3 H 1.611 0.01 2 1720 183 183 LYS C C 179.450 0.01 1 1721 183 183 LYS CA C 60.230 0.01 1 1722 183 183 LYS CB C 32.190 0.01 1 1723 183 183 LYS N N 127.600 0.01 1 1724 184 184 ASP H H 10.904 0.01 1 1725 184 184 ASP HA H 4.868 0.01 1 1726 184 184 ASP HB2 H 2.533 0.01 2 1727 184 184 ASP HB3 H 2.960 0.01 2 1728 184 184 ASP C C 178.600 0.01 1 1729 184 184 ASP CA C 58.570 0.01 1 1730 184 184 ASP CB C 41.510 0.01 1 1731 184 184 ASP N N 123.690 0.01 1 1732 185 185 MET H H 7.424 0.01 1 1733 185 185 MET HA H 4.139 0.01 1 1734 185 185 MET HB2 H 1.991 0.01 2 1735 185 185 MET HB3 H 2.127 0.01 2 1736 185 185 MET HG2 H 2.434 0.01 2 1737 185 185 MET HG3 H 2.634 0.01 2 1738 185 185 MET HE H 1.995 0.01 1 1739 185 185 MET C C 177.810 0.01 1 1740 185 185 MET CA C 58.480 0.01 1 1741 185 185 MET CB C 34.480 0.01 1 1742 185 185 MET CE C 18.183 0.01 1 1743 185 185 MET N N 122.140 0.01 1 1744 186 186 ILE H H 8.262 0.01 1 1745 186 186 ILE HA H 3.628 0.01 1 1746 186 186 ILE HB H 1.790 0.01 1 1747 186 186 ILE HG12 H 1.254 0.01 2 1748 186 186 ILE HG13 H 1.597 0.01 2 1749 186 186 ILE HG2 H 0.935 0.01 1 1750 186 186 ILE HD1 H 0.854 0.01 1 1751 186 186 ILE C C 178.010 0.01 1 1752 186 186 ILE CA C 64.850 0.01 1 1753 186 186 ILE CG2 C 17.365 0.01 1 1754 186 186 ILE CD1 C 13.232 0.01 1 1755 186 186 ILE N N 119.110 0.01 1 1756 187 187 TYR H H 7.768 0.01 1 1757 187 187 TYR HA H 4.115 0.01 1 1758 187 187 TYR HB2 H 3.147 0.01 2 1759 187 187 TYR HB3 H 3.264 0.01 2 1760 187 187 TYR C C 178.810 0.01 1 1761 187 187 TYR CA C 62.240 0.01 1 1762 187 187 TYR CB C 45.770 0.01 1 1763 187 187 TYR N N 119.020 0.01 1 1764 188 188 ILE H H 8.217 0.01 1 1765 188 188 ILE HA H 3.418 0.01 1 1766 188 188 ILE HB H 1.928 0.01 1 1767 188 188 ILE HG2 H 0.856 0.01 1 1768 188 188 ILE HD1 H 0.775 0.01 1 1769 188 188 ILE C C 176.920 0.01 1 1770 188 188 ILE CA C 65.710 0.01 1 1771 188 188 ILE CB C 37.800 0.01 1 1772 188 188 ILE CD1 C 14.093 0.01 1 1773 188 188 ILE N N 118.750 0.01 1 1774 189 189 ASN H H 8.401 0.01 1 1775 189 189 ASN HA H 4.306 0.01 1 1776 189 189 ASN HB2 H 2.594 0.01 2 1777 189 189 ASN HB3 H 2.624 0.01 2 1778 189 189 ASN HD21 H 5.428 0.01 2 1779 189 189 ASN HD22 H 7.179 0.01 2 1780 189 189 ASN C C 178.600 0.01 1 1781 189 189 ASN CA C 56.900 0.01 1 1782 189 189 ASN CB C 38.190 0.01 1 1783 189 189 ASN N N 118.890 0.01 1 1784 190 190 ASP H H 8.351 0.01 1 1785 190 190 ASP HA H 4.326 0.01 1 1786 190 190 ASP HB2 H 2.454 0.01 2 1787 190 190 ASP HB3 H 2.686 0.01 2 1788 190 190 ASP C C 178.450 0.01 1 1789 190 190 ASP CA C 57.670 0.01 1 1790 190 190 ASP CB C 41.120 0.01 1 1791 190 190 ASP N N 119.770 0.01 1 1792 191 191 ALA H H 7.883 0.01 1 1793 191 191 ALA HA H 3.943 0.01 1 1794 191 191 ALA HB H 1.216 0.01 1 1795 191 191 ALA C C 180.120 0.01 1 1796 191 191 ALA CA C 54.800 0.01 1 1797 191 191 ALA CB C 18.530 0.01 1 1798 191 191 ALA N N 121.840 0.01 1 1799 192 192 MET H H 8.235 0.01 1 1800 192 192 MET HA H 4.329 0.01 1 1801 192 192 MET HB2 H 1.992 0.01 2 1802 192 192 MET HB3 H 2.167 0.01 2 1803 192 192 MET HG2 H 2.303 0.01 2 1804 192 192 MET HG3 H 2.647 0.01 2 1805 192 192 MET HE H 1.420 0.01 1 1806 192 192 MET C C 178.330 0.01 1 1807 192 192 MET CA C 56.470 0.01 1 1808 192 192 MET CE C 15.686 0.01 1 1809 192 192 MET N N 115.660 0.01 1 1810 193 193 LYS H H 7.642 0.01 1 1811 193 193 LYS HA H 4.034 0.01 1 1812 193 193 LYS HB2 H 1.897 0.01 2 1813 193 193 LYS HB3 H 1.960 0.01 2 1814 193 193 LYS HG2 H 1.471 0.01 2 1815 193 193 LYS HG3 H 1.471 0.01 2 1816 193 193 LYS HD2 H 1.541 0.01 2 1817 193 193 LYS HD3 H 1.681 0.01 2 1818 193 193 LYS C C 178.200 0.01 1 1819 193 193 LYS CA C 59.850 0.01 1 1820 193 193 LYS CB C 32.590 0.01 1 1821 193 193 LYS N N 120.910 0.01 1 1822 194 194 GLN H H 7.899 0.01 1 1823 194 194 GLN HA H 4.190 0.01 1 1824 194 194 GLN HB2 H 2.051 0.01 2 1825 194 194 GLN HB3 H 2.096 0.01 2 1826 194 194 GLN HG2 H 2.419 0.01 2 1827 194 194 GLN HG3 H 2.419 0.01 2 1828 194 194 GLN HE21 H 6.791 0.01 2 1829 194 194 GLN HE22 H 7.470 0.01 2 1830 194 194 GLN C C 177.150 0.01 1 1831 194 194 GLN CA C 58.010 0.01 1 1832 194 194 GLN CB C 29.190 0.01 1 1833 194 194 GLN N N 116.010 0.01 1 1834 195 195 ASN H H 7.806 0.01 1 1835 195 195 ASN HA H 4.696 0.01 1 1836 195 195 ASN HB2 H 2.640 0.01 2 1837 195 195 ASN HB3 H 2.680 0.01 2 1838 195 195 ASN HD21 H 7.113 0.01 2 1839 195 195 ASN HD22 H 7.308 0.01 2 1840 195 195 ASN C C 175.920 0.01 1 1841 195 195 ASN CA C 54.970 0.01 1 1842 195 195 ASN N N 117.220 0.01 1 1843 196 196 VAL H H 7.987 0.01 1 1844 196 196 VAL HA H 3.704 0.01 1 1845 196 196 VAL HB H 2.100 0.01 1 1846 196 196 VAL HG1 H 0.921 0.01 1 1847 196 196 VAL HG2 H 0.921 0.01 1 1848 196 196 VAL CA C 65.030 0.01 1 1849 196 196 VAL N N 119.950 0.01 1 1850 197 197 ASP H H 8.306 0.01 1 1851 197 197 ASP HA H 4.487 0.01 1 1852 197 197 ASP HB2 H 2.681 0.01 2 1853 197 197 ASP HB3 H 2.681 0.01 2 1854 197 197 ASP C C 177.240 0.01 1 1855 197 197 ASP CA C 56.210 0.01 1 1856 197 197 ASP CB C 40.800 0.01 1 1857 197 197 ASP N N 121.220 0.01 1 1858 198 198 LYS H H 7.739 0.01 1 1859 198 198 LYS HA H 4.228 0.01 1 1860 198 198 LYS HB2 H 1.842 0.01 2 1861 198 198 LYS HB3 H 1.842 0.01 2 1862 198 198 LYS HG2 H 1.357 0.01 2 1863 198 198 LYS HG3 H 1.357 0.01 2 1864 198 198 LYS HD2 H 1.414 0.01 2 1865 198 198 LYS HD3 H 1.414 0.01 2 1866 198 198 LYS C C 177.300 0.01 1 1867 198 198 LYS CA C 57.540 0.01 1 1868 198 198 LYS CB C 33.060 0.01 1 1869 198 198 LYS N N 118.860 0.01 1 1870 199 199 TRP H H 7.947 0.01 1 1871 199 199 TRP HA H 4.823 0.01 1 1872 199 199 TRP HB2 H 3.334 0.01 2 1873 199 199 TRP HB3 H 3.394 0.01 2 1874 199 199 TRP HD1 H 7.203 0.01 1 1875 199 199 TRP HE1 H 9.966 0.01 1 1876 199 199 TRP HE3 H 7.576 0.01 1 1877 199 199 TRP HZ2 H 7.323 0.01 1 1878 199 199 TRP HZ3 H 7.057 0.01 1 1879 199 199 TRP HH2 H 7.078 0.01 1 1880 199 199 TRP C C 177.450 0.01 1 1881 199 199 TRP CA C 57.800 0.01 1 1882 199 199 TRP CB C 30.060 0.01 1 1883 199 199 TRP N N 120.960 0.01 1 1884 199 199 TRP NE1 N 128.37 0.01 1 1885 200 200 THR H H 8.231 0.01 1 1886 200 200 THR HA H 4.449 0.01 1 1887 200 200 THR HB H 4.249 0.01 1 1888 200 200 THR HG2 H 1.278 0.01 1 1889 200 200 THR C C 175.700 0.01 1 1890 200 200 THR CA C 62.930 0.01 1 1891 200 200 THR CB C 70.730 0.01 1 1892 200 200 THR CG2 C 21.929 0.01 1 1893 200 200 THR N N 113.940 0.01 1 1894 201 201 LYS H H 8.309 0.01 1 1895 201 201 LYS HA H 3.885 0.01 1 1896 201 201 LYS HB2 H 1.827 0.01 2 1897 201 201 LYS HB3 H 1.827 0.01 2 1898 201 201 LYS HG2 H 1.348 0.01 2 1899 201 201 LYS HG3 H 1.348 0.01 2 1900 201 201 LYS HD2 H 1.618 0.01 2 1901 201 201 LYS HD3 H 1.618 0.01 2 1902 201 201 LYS C C 178.170 0.01 1 1903 201 201 LYS CA C 59.040 0.01 1 1904 201 201 LYS CB C 32.980 0.01 1 1905 201 201 LYS N N 123.250 0.01 1 1906 202 202 GLU H H 8.503 0.01 1 1907 202 202 GLU HA H 4.078 0.01 1 1908 202 202 GLU HB2 H 2.007 0.01 2 1909 202 202 GLU HB3 H 2.035 0.01 2 1910 202 202 GLU HG2 H 2.329 0.01 2 1911 202 202 GLU HG3 H 2.329 0.01 2 1912 202 202 GLU C C 178.770 0.01 1 1913 202 202 GLU CA C 59.290 0.01 1 1914 202 202 GLU CB C 29.660 0.01 1 1915 202 202 GLU N N 119.370 0.01 1 1916 203 203 GLU H H 8.108 0.01 1 1917 203 203 GLU HA H 4.075 0.01 1 1918 203 203 GLU HB2 H 1.866 0.01 2 1919 203 203 GLU HB3 H 1.968 0.01 2 1920 203 203 GLU HG2 H 2.108 0.01 2 1921 203 203 GLU HG3 H 2.108 0.01 2 1922 203 203 GLU C C 178.320 0.01 1 1923 203 203 GLU CA C 59.080 0.01 1 1924 203 203 GLU CB C 30.060 0.01 1 1925 203 203 GLU N N 121.080 0.01 1 1926 204 204 SER H H 8.190 0.01 1 1927 204 204 SER HA H 4.060 0.01 1 1928 204 204 SER HB2 H 3.860 0.01 2 1929 204 204 SER HB3 H 3.860 0.01 2 1930 204 204 SER C C 176.710 0.01 1 1931 204 204 SER CA C 61.730 0.01 1 1932 204 204 SER CB C 64.490 0.01 1 1933 204 204 SER N N 115.190 0.01 1 1934 205 205 GLU H H 8.032 0.01 1 1935 205 205 GLU HA H 4.070 0.01 1 1936 205 205 GLU HB2 H 2.026 0.01 2 1937 205 205 GLU HB3 H 2.055 0.01 2 1938 205 205 GLU HG2 H 2.160 0.01 2 1939 205 205 GLU HG3 H 2.370 0.01 2 1940 205 205 GLU C C 178.430 0.01 1 1941 205 205 GLU CA C 58.570 0.01 1 1942 205 205 GLU CB C 29.660 0.01 1 1943 205 205 GLU N N 122.020 0.01 1 1944 206 206 ARG H H 7.862 0.01 1 1945 206 206 ARG HA H 4.032 0.01 1 1946 206 206 ARG HB2 H 1.860 0.01 2 1947 206 206 ARG HB3 H 1.860 0.01 2 1948 206 206 ARG HG2 H 1.666 0.01 2 1949 206 206 ARG HG3 H 1.666 0.01 2 1950 206 206 ARG C C 178.490 0.01 1 1951 206 206 ARG CA C 59.160 0.01 1 1952 206 206 ARG CB C 30.690 0.01 1 1953 206 206 ARG N N 120.800 0.01 1 1954 207 207 LEU H H 8.038 0.01 1 1955 207 207 LEU HA H 4.039 0.01 1 1956 207 207 LEU HB2 H 1.697 0.01 2 1957 207 207 LEU HB3 H 1.697 0.01 2 1958 207 207 LEU HG H 1.466 0.01 1 1959 207 207 LEU HD1 H 0.795 0.01 1 1960 207 207 LEU HD2 H 0.795 0.01 1 1961 207 207 LEU C C 179.010 0.01 1 1962 207 207 LEU CA C 57.500 0.01 1 1963 207 207 LEU CB C 41.910 0.01 1 1964 207 207 LEU N N 119.620 0.01 1 1965 208 208 ALA H H 7.922 0.01 1 1966 208 208 ALA HA H 4.027 0.01 1 1967 208 208 ALA HB H 1.446 0.01 1 1968 208 208 ALA C C 179.450 0.01 1 1969 208 208 ALA CA C 54.800 0.01 1 1970 208 208 ALA CB C 18.690 0.01 1 1971 208 208 ALA N N 122.280 0.01 1 1972 209 209 MET H H 7.856 0.01 1 1973 209 209 MET HA H 4.240 0.01 1 1974 209 209 MET HB2 H 2.121 0.01 2 1975 209 209 MET HB3 H 2.121 0.01 2 1976 209 209 MET HG2 H 2.504 0.01 2 1977 209 209 MET HG3 H 2.664 0.01 2 1978 209 209 MET C C 178.130 0.01 1 1979 209 209 MET CA C 57.750 0.01 1 1980 209 209 MET CB C 32.590 0.01 1 1981 209 209 MET N N 117.230 0.01 1 1982 210 210 MET H H 7.921 0.01 1 1983 210 210 MET HA H 4.193 0.01 1 1984 210 210 MET HB2 H 2.058 0.01 2 1985 210 210 MET HB3 H 2.058 0.01 2 1986 210 210 MET HG2 H 2.452 0.01 2 1987 210 210 MET HG3 H 2.636 0.01 2 1988 210 210 MET C C 177.680 0.01 1 1989 210 210 MET CA C 57.580 0.01 1 1990 210 210 MET CB C 32.820 0.01 1 1991 210 210 MET N N 118.960 0.01 1 1992 211 211 ALA H H 7.941 0.01 1 1993 211 211 ALA HA H 4.197 0.01 1 1994 211 211 ALA HB H 1.399 0.01 1 1995 211 211 ALA C C 178.820 0.01 1 1996 211 211 ALA CA C 53.860 0.01 1 1997 211 211 ALA CB C 19.080 0.01 1 1998 211 211 ALA N N 122.780 0.01 1 1999 212 212 GLU H H 8.036 0.01 1 2000 212 212 GLU HA H 4.150 0.01 1 2001 212 212 GLU HB2 H 2.045 0.01 2 2002 212 212 GLU HB3 H 2.090 0.01 2 2003 212 212 GLU HG2 H 2.284 0.01 2 2004 212 212 GLU HG3 H 2.284 0.01 2 2005 212 212 GLU C C 177.620 0.01 1 2006 212 212 GLU CA C 57.970 0.01 1 2007 212 212 GLU CB C 29.980 0.01 1 2008 212 212 GLU N N 118.610 0.01 1 2009 213 213 GLN H H 8.102 0.01 1 2010 213 213 GLN HA H 4.246 0.01 1 2011 213 213 GLN HB2 H 2.046 0.01 2 2012 213 213 GLN HB3 H 2.152 0.01 2 2013 213 213 GLN HG2 H 2.436 0.01 2 2014 213 213 GLN HG3 H 2.436 0.01 2 2015 213 213 GLN C C 177.300 0.01 1 2016 213 213 GLN CA C 57.030 0.01 1 2017 213 213 GLN CB C 29.350 0.01 1 2018 213 213 GLN N N 118.890 0.01 1 2019 214 214 GLY H H 8.149 0.01 1 2020 214 214 GLY HA2 H 3.954 0.01 2 2021 214 214 GLY HA3 H 3.954 0.01 2 2022 214 214 GLY C C 174.660 0.01 1 2023 214 214 GLY CA C 46.030 0.01 1 2024 214 214 GLY N N 108.550 0.01 1 2025 215 215 ILE H H 7.821 0.01 1 2026 215 215 ILE HA H 4.088 0.01 1 2027 215 215 ILE HB H 1.800 0.01 1 2028 215 215 ILE HG12 H 0.979 0.01 2 2029 215 215 ILE HG13 H 1.352 0.01 2 2030 215 215 ILE HG2 H 0.825 0.01 1 2031 215 215 ILE HD1 H 0.761 0.01 1 2032 215 215 ILE C C 176.790 0.01 1 2033 215 215 ILE CA C 62.070 0.01 1 2034 215 215 ILE CB C 38.590 0.01 1 2035 215 215 ILE CD1 C 13.490 0.01 1 2036 215 215 ILE N N 119.390 0.01 1 2037 216 216 SER H H 8.249 0.01 1 2038 216 216 SER HA H 4.442 0.01 1 2039 216 216 SER C C 175.400 0.01 1 2040 216 216 SER CA C 58.990 0.01 1 2041 216 216 SER CB C 64.180 0.01 1 2042 216 216 SER N N 118.090 0.01 1 2043 217 217 GLY H H 8.291 0.01 1 2044 217 217 GLY HA2 H 3.961 0.01 2 2045 217 217 GLY HA3 H 3.961 0.01 2 2046 217 217 GLY C C 174.130 0.01 1 2047 217 217 GLY CA C 45.650 0.01 1 2048 217 217 GLY N N 110.740 0.01 1 2049 218 218 ALA H H 8.077 0.01 1 2050 218 218 ALA HA H 4.295 0.01 1 2051 218 218 ALA HB H 1.308 0.01 1 2052 218 218 ALA C C 178.000 0.01 1 2053 218 218 ALA CA C 52.920 0.01 1 2054 218 218 ALA CB C 19.400 0.01 1 2055 218 218 ALA N N 123.590 0.01 1 2056 219 219 LYS H H 8.223 0.01 1 2057 219 219 LYS HA H 4.355 0.01 1 2058 219 219 LYS C C 176.920 0.01 1 2059 219 219 LYS CA C 56.470 0.01 1 2060 219 219 LYS CB C 31.010 0.01 1 2061 219 219 LYS N N 120.070 0.01 1 2062 220 220 GLY H H 8.447 0.01 1 2063 220 220 GLY HA2 H 3.961 0.01 2 2064 220 220 GLY HA3 H 3.961 0.01 2 2065 220 220 GLY C C 174.360 0.01 1 2066 220 220 GLY CA C 45.650 0.01 1 2067 220 220 GLY N N 109.790 0.01 1 2068 221 221 LYS H H 8.116 0.01 1 2069 221 221 LYS HA H 4.353 0.01 1 2070 221 221 LYS HB2 H 1.853 0.01 2 2071 221 221 LYS HB3 H 1.853 0.01 2 2072 221 221 LYS HG2 H 1.317 0.01 2 2073 221 221 LYS HG3 H 1.317 0.01 2 2074 221 221 LYS HD2 H 1.608 0.01 2 2075 221 221 LYS HD3 H 1.608 0.01 2 2076 221 221 LYS C C 176.450 0.01 1 2077 221 221 LYS CA C 56.470 0.01 1 2078 221 221 LYS CB C 33.530 0.01 1 2079 221 221 LYS N N 120.320 0.01 1 2080 222 222 LYS H H 8.419 0.01 1 2081 222 222 LYS HA H 4.346 0.01 1 2082 222 222 LYS C C 175.320 0.01 1 2083 222 222 LYS CA C 56.430 0.01 1 2084 222 222 LYS CB C 33.450 0.01 1 2085 222 222 LYS N N 123.860 0.01 1 2086 223 223 ASP H H 7.928 0.01 1 2087 223 223 ASP HA H 4.407 0.01 1 2088 223 223 ASP HB2 H 2.575 0.01 2 2089 223 223 ASP HB3 H 2.575 0.01 2 2090 223 223 ASP C C 180.840 0.01 1 2091 223 223 ASP CA C 55.960 0.01 1 2092 223 223 ASP N N 127.330 0.01 1 stop_ save_