data_18011 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR assignments for TB24 ; _BMRB_accession_number 18011 _BMRB_flat_file_name bmr18011.str _Entry_type original _Submission_date 2011-10-19 _Accession_date 2011-10-19 _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 Ames James . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1038 "13C chemical shifts" 817 "15N chemical shifts" 201 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-03-25 update BMRB 'update entry citation' 2012-03-27 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (15)N, and (13)C chemical shift assignments of the calflagin Tb24 flagellar calcium binding protein of Trypanosoma brucei.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22382573 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Xu Xianzhong . . 2 Olson Cheryl L. . 3 Engman David M. . 4 Ames James B. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9 _Page_last 12 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Tb24 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Tb24 $Tb24 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_Tb24 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Tb24 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Tb24 is a calcium sensor in T. brucei.' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 218 _Mol_residue_sequence ; MGCSGSKDTTNSKDGAASKG GKDGKTTADRKVAWERIRCA IPRDKDAESKSRRIELFKQF DTNGTGKLGFREVLDGCYGI LKLDEFTTHLPDIVQRAFDK AKDLGNKVKGVGEEDLVEFL EFRLMLCYIYDIFELTVMFD TMDKDGSLLLELQEFKEALP KLKEWGVDITDATTVFNEID TNGSGVVTFDEFSCWAVTKK LQVCGDPDGEENGANEGN ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 CYS 4 SER 5 GLY 6 SER 7 LYS 8 ASP 9 THR 10 THR 11 ASN 12 SER 13 LYS 14 ASP 15 GLY 16 ALA 17 ALA 18 SER 19 LYS 20 GLY 21 GLY 22 LYS 23 ASP 24 GLY 25 LYS 26 THR 27 THR 28 ALA 29 ASP 30 ARG 31 LYS 32 VAL 33 ALA 34 TRP 35 GLU 36 ARG 37 ILE 38 ARG 39 CYS 40 ALA 41 ILE 42 PRO 43 ARG 44 ASP 45 LYS 46 ASP 47 ALA 48 GLU 49 SER 50 LYS 51 SER 52 ARG 53 ARG 54 ILE 55 GLU 56 LEU 57 PHE 58 LYS 59 GLN 60 PHE 61 ASP 62 THR 63 ASN 64 GLY 65 THR 66 GLY 67 LYS 68 LEU 69 GLY 70 PHE 71 ARG 72 GLU 73 VAL 74 LEU 75 ASP 76 GLY 77 CYS 78 TYR 79 GLY 80 ILE 81 LEU 82 LYS 83 LEU 84 ASP 85 GLU 86 PHE 87 THR 88 THR 89 HIS 90 LEU 91 PRO 92 ASP 93 ILE 94 VAL 95 GLN 96 ARG 97 ALA 98 PHE 99 ASP 100 LYS 101 ALA 102 LYS 103 ASP 104 LEU 105 GLY 106 ASN 107 LYS 108 VAL 109 LYS 110 GLY 111 VAL 112 GLY 113 GLU 114 GLU 115 ASP 116 LEU 117 VAL 118 GLU 119 PHE 120 LEU 121 GLU 122 PHE 123 ARG 124 LEU 125 MET 126 LEU 127 CYS 128 TYR 129 ILE 130 TYR 131 ASP 132 ILE 133 PHE 134 GLU 135 LEU 136 THR 137 VAL 138 MET 139 PHE 140 ASP 141 THR 142 MET 143 ASP 144 LYS 145 ASP 146 GLY 147 SER 148 LEU 149 LEU 150 LEU 151 GLU 152 LEU 153 GLN 154 GLU 155 PHE 156 LYS 157 GLU 158 ALA 159 LEU 160 PRO 161 LYS 162 LEU 163 LYS 164 GLU 165 TRP 166 GLY 167 VAL 168 ASP 169 ILE 170 THR 171 ASP 172 ALA 173 THR 174 THR 175 VAL 176 PHE 177 ASN 178 GLU 179 ILE 180 ASP 181 THR 182 ASN 183 GLY 184 SER 185 GLY 186 VAL 187 VAL 188 THR 189 PHE 190 ASP 191 GLU 192 PHE 193 SER 194 CYS 195 TRP 196 ALA 197 VAL 198 THR 199 LYS 200 LYS 201 LEU 202 GLN 203 VAL 204 CYS 205 GLY 206 ASP 207 PRO 208 ASP 209 GLY 210 GLU 211 GLU 212 ASN 213 GLY 214 ALA 215 ASN 216 GLU 217 GLY 218 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 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 2LVV "Nmr Structure Of Tb24" 100.00 226 100.00 100.00 2.66e-155 EMBL CBH13602 "flagellar calcium-binding protein TB-24,putative [Trypanosoma brucei gambiense DAL972]" 100.00 218 99.54 99.54 1.99e-154 EMBL CBH13605 "flagellar calcium-binding protein Tb-17 [Trypanosoma brucei gambiense DAL972]" 100.00 233 97.25 98.62 1.31e-150 GB AAA75582 "EF-hand calcium-binding protein, partial [Trypanosoma brucei]" 98.17 229 97.20 98.60 3.47e-147 GB AAA75583 "calflagin [Trypanosoma brucei]" 89.45 407 97.95 97.95 7.19e-131 GB AAB40004 "calflagin [Trypanosoma brucei]" 100.00 218 99.54 99.54 1.99e-154 GB AAX70701 "flagellar calcium-binding protein TB-44A [Trypanosoma brucei]" 89.45 407 97.95 98.97 1.30e-132 GB AAX70703 "flagellar calcium-binding protein TB-24 [Trypanosoma brucei]" 100.00 218 98.62 99.54 1.62e-153 REF XP_011775879 "flagellar calcium-binding protein TB-24,putative [Trypanosoma brucei gambiense DAL972]" 100.00 218 99.54 99.54 1.99e-154 REF XP_011775881 "flagellar calcium-binding protein Tb-17 [Trypanosoma brucei gambiense DAL972]" 100.00 233 97.25 98.62 1.31e-150 REF XP_847374 "flagellar calcium-binding protein TB-24 [Trypanosoma brucei brucei TREU927]" 100.00 218 98.62 99.54 1.62e-153 REF XP_847376 "flagellar calcium-binding protein TB-44A [Trypanosoma brucei brucei TREU927]" 89.45 407 97.95 98.97 1.30e-132 SP Q26677 "RecName: Full=Flagellar calcium-binding protein TB-1.7G; AltName: Full=17 kDa calcimedin; AltName: Full=17 kDa calflagin" 98.17 229 97.20 98.60 3.47e-147 SP Q26678 "RecName: Full=Flagellar calcium-binding protein TB-44A; AltName: Full=44 kDa calcimedin; AltName: Full=44 kDa calflagin" 89.45 407 97.95 97.95 7.19e-131 SP Q26680 "RecName: Full=Flagellar calcium-binding protein TB-24; AltName: Full=24 kDa calcimedin; AltName: Full=24 kDa calflagin" 100.00 218 99.54 99.54 1.99e-154 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Tb24 'Trypanosoma brucei' 5691 Eukaryota . Trypanosoma brucei 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 $Tb24 'recombinant technology' . Escherichia coli . pET23 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 $Tb24 1.0 mM '[U-98% 13C; U-98% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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 Bruker _Model Avance _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '1.0 mM Tb24 and 50 mM sodium phosphate at pH 7.0.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 7.0 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . 'separate tube (no insert) similar to the experimental sample tube' . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . 'separate tube (no insert) similar to the experimental sample tube' . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . 'separate tube (no insert) similar to the experimental sample tube' . 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 HNCO' '3D HNCACB' '3D CBCA(CO)NH' 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 Tb24 _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 4 4 SER HA H 4.412 0.05 1 2 4 4 SER HB2 H 3.838 0.05 2 3 4 4 SER C C 174.951 0.1 1 4 4 4 SER CA C 58.780 0.1 1 5 4 4 SER CB C 63.731 0.1 1 6 5 5 GLY H H 8.410 0.05 1 7 5 5 GLY HA2 H 3.953 0.05 2 8 5 5 GLY CA C 45.388 0.1 1 9 5 5 GLY N N 111.136 0.2 1 10 6 6 SER HA H 4.357 0.05 1 11 6 6 SER HB2 H 3.830 0.05 2 12 6 6 SER C C 174.756 0.1 1 13 6 6 SER CA C 58.438 0.1 1 14 6 6 SER CB C 63.824 0.1 1 15 7 7 LYS H H 8.269 0.05 1 16 7 7 LYS HA H 4.293 0.05 1 17 7 7 LYS HB2 H 1.730 0.05 2 18 7 7 LYS HG2 H 1.377 0.05 2 19 7 7 LYS HE2 H 2.917 0.05 2 20 7 7 LYS C C 176.153 0.1 1 21 7 7 LYS CA C 56.443 0.1 1 22 7 7 LYS CB C 32.927 0.1 1 23 7 7 LYS CG C 24.590 0.1 1 24 7 7 LYS CD C 28.333 0.1 1 25 7 7 LYS CE C 42.128 0.1 1 26 7 7 LYS N N 123.120 0.2 1 27 8 8 ASP H H 8.286 0.05 1 28 8 8 ASP HA H 4.631 0.05 1 29 8 8 ASP HB2 H 2.633 0.05 2 30 8 8 ASP C C 176.624 0.1 1 31 8 8 ASP CA C 54.516 0.1 1 32 8 8 ASP CB C 41.216 0.1 1 33 8 8 ASP N N 121.276 0.2 1 34 9 9 THR H H 8.161 0.05 1 35 9 9 THR HA H 4.326 0.05 1 36 9 9 THR HB H 4.701 0.05 1 37 9 9 THR HG2 H 1.134 0.05 1 38 9 9 THR C C 175.095 0.1 1 39 9 9 THR CA C 61.938 0.1 1 40 9 9 THR CB C 69.497 0.1 1 41 9 9 THR N N 114.361 0.2 1 42 10 10 THR H H 8.196 0.05 1 43 10 10 THR HA H 4.217 0.05 1 44 10 10 THR HB H 4.178 0.05 1 45 10 10 THR HG2 H 1.158 0.05 1 46 10 10 THR C C 174.483 0.1 1 47 10 10 THR CA C 62.733 0.1 1 48 10 10 THR CB C 69.703 0.1 1 49 10 10 THR CG2 C 21.447 0.1 1 50 10 10 THR N N 116.122 0.2 1 51 11 11 ASN H H 8.390 0.05 1 52 11 11 ASN HA H 4.703 0.05 1 53 11 11 ASN HB2 H 2.754 0.05 2 54 11 11 ASN HD21 H 6.869 0.05 2 55 11 11 ASN HD22 H 7.535 0.05 2 56 11 11 ASN C C 175.126 0.1 1 57 11 11 ASN CA C 53.200 0.1 1 58 11 11 ASN CB C 39.030 0.1 1 59 11 11 ASN N N 120.802 0.2 1 60 11 11 ASN ND2 N 112.832 0.2 1 61 12 12 SER H H 8.216 0.05 1 62 12 12 SER HA H 4.326 0.05 1 63 12 12 SER HB2 H 3.827 0.05 2 64 12 12 SER CA C 58.777 0.1 1 65 12 12 SER CB C 63.945 0.1 1 66 12 12 SER N N 116.333 0.2 1 67 13 13 LYS HA H 4.297 0.05 1 68 13 13 LYS HB2 H 1.725 0.05 2 69 13 13 LYS HB3 H 1.805 0.05 2 70 13 13 LYS HG2 H 1.370 0.05 2 71 13 13 LYS HD2 H 1.616 0.05 2 72 13 13 LYS HE2 H 2.923 0.05 2 73 13 13 LYS C C 176.388 0.1 1 74 13 13 LYS CA C 56.397 0.1 1 75 13 13 LYS CB C 32.841 0.1 1 76 13 13 LYS CG C 24.581 0.1 1 77 13 13 LYS CD C 28.841 0.1 1 78 13 13 LYS CE C 41.904 0.1 1 79 14 14 ASP H H 8.398 0.05 1 80 14 14 ASP HA H 4.472 0.05 1 81 14 14 ASP HB2 H 2.606 0.05 2 82 14 14 ASP C C 176.846 0.1 1 83 14 14 ASP CA C 54.484 0.1 1 84 14 14 ASP CB C 41.238 0.1 1 85 14 14 ASP N N 121.682 0.2 1 86 15 15 GLY H H 8.247 0.05 1 87 15 15 GLY HA2 H 3.874 0.05 2 88 15 15 GLY C C 174.305 0.1 1 89 15 15 GLY CA C 45.594 0.1 1 90 15 15 GLY N N 109.459 0.2 1 91 16 16 ALA H H 8.109 0.05 1 92 16 16 ALA HA H 4.235 0.05 1 93 16 16 ALA HB H 1.327 0.05 1 94 16 16 ALA C C 177.853 0.1 1 95 16 16 ALA CA C 52.988 0.1 1 96 16 16 ALA CB C 19.032 0.1 1 97 16 16 ALA N N 123.599 0.2 1 98 17 17 ALA H H 8.170 0.05 1 99 17 17 ALA HA H 4.247 0.05 1 100 17 17 ALA HB H 1.354 0.05 1 101 17 17 ALA C C 177.993 0.1 1 102 17 17 ALA CA C 52.832 0.1 1 103 17 17 ALA CB C 19.024 0.1 1 104 17 17 ALA N N 122.408 0.2 1 105 18 18 SER H H 8.123 0.05 1 106 18 18 SER HA H 4.354 0.05 1 107 18 18 SER HB2 H 3.819 0.05 2 108 18 18 SER C C 174.787 0.1 1 109 18 18 SER CA C 58.487 0.1 1 110 18 18 SER CB C 63.796 0.1 1 111 18 18 SER N N 114.673 0.2 1 112 19 19 LYS H H 8.369 0.05 1 113 19 19 LYS HA H 4.303 0.05 1 114 19 19 LYS HB2 H 1.739 0.05 2 115 19 19 LYS HG2 H 1.402 0.05 2 116 19 19 LYS HE2 H 2.935 0.05 2 117 19 19 LYS C C 177.026 0.1 1 118 19 19 LYS CA C 56.611 0.1 1 119 19 19 LYS CB C 32.880 0.1 1 120 19 19 LYS CG C 24.664 0.1 1 121 19 19 LYS CD C 28.373 0.1 1 122 19 19 LYS CE C 42.115 0.1 1 123 19 19 LYS N N 123.097 0.2 1 124 20 20 GLY H H 8.350 0.05 1 125 20 20 GLY HA2 H 3.889 0.05 2 126 20 20 GLY C C 174.575 0.1 1 127 20 20 GLY CA C 45.362 0.1 1 128 20 20 GLY N N 109.540 0.2 1 129 21 21 GLY H H 8.274 0.05 1 130 21 21 GLY HA2 H 3.919 0.05 2 131 21 21 GLY C C 174.352 0.1 1 132 21 21 GLY CA C 45.292 0.1 1 133 21 21 GLY N N 108.677 0.2 1 134 22 22 LYS H H 8.241 0.05 1 135 22 22 LYS HA H 4.245 0.05 1 136 22 22 LYS HB2 H 1.695 0.05 2 137 22 22 LYS CA C 56.650 0.1 1 138 22 22 LYS CB C 33.050 0.1 1 139 22 22 LYS N N 120.711 0.2 1 140 23 23 ASP HA H 4.420 0.05 1 141 23 23 ASP HB2 H 2.637 0.05 2 142 23 23 ASP C C 176.571 0.1 1 143 23 23 ASP CA C 54.357 0.1 1 144 23 23 ASP CB C 41.423 0.1 1 145 24 24 GLY H H 8.313 0.05 1 146 24 24 GLY HA2 H 3.885 0.05 2 147 24 24 GLY C C 174.144 0.1 1 148 24 24 GLY CA C 45.486 0.1 1 149 24 24 GLY N N 109.600 0.2 1 150 25 25 LYS H H 8.085 0.05 1 151 25 25 LYS HA H 4.581 0.05 1 152 25 25 LYS HB2 H 1.604 0.05 2 153 25 25 LYS HB3 H 1.736 0.05 2 154 25 25 LYS HG2 H 1.248 0.05 2 155 25 25 LYS HD2 H 1.561 0.05 2 156 25 25 LYS HE2 H 2.727 0.05 2 157 25 25 LYS HE3 H 2.821 0.05 2 158 25 25 LYS C C 176.800 0.1 1 159 25 25 LYS CA C 54.519 0.1 1 160 25 25 LYS CB C 33.338 0.1 1 161 25 25 LYS CG C 24.578 0.1 1 162 25 25 LYS CD C 28.158 0.1 1 163 25 25 LYS CE C 42.293 0.1 1 164 25 25 LYS N N 120.269 0.2 1 165 26 26 THR H H 8.922 0.05 1 166 26 26 THR HA H 4.544 0.05 1 167 26 26 THR HB H 4.577 0.05 1 168 26 26 THR HG2 H 1.218 0.05 1 169 26 26 THR C C 175.721 0.1 1 170 26 26 THR CA C 60.508 0.1 1 171 26 26 THR CB C 71.799 0.1 1 172 26 26 THR CG2 C 21.588 0.1 1 173 26 26 THR N N 113.659 0.2 1 174 27 27 THR H H 8.549 0.05 1 175 27 27 THR HA H 3.798 0.05 1 176 27 27 THR HB H 4.024 0.05 1 177 27 27 THR HG2 H 1.171 0.05 1 178 27 27 THR C C 176.459 0.1 1 179 27 27 THR CA C 65.541 0.1 1 180 27 27 THR CB C 68.663 0.1 1 181 27 27 THR CG2 C 21.932 0.1 1 182 27 27 THR N N 116.188 0.2 1 183 28 28 ALA H H 8.008 0.05 1 184 28 28 ALA HA H 4.072 0.05 1 185 28 28 ALA HB H 1.344 0.05 1 186 28 28 ALA C C 179.508 0.1 1 187 28 28 ALA CA C 54.863 0.1 1 188 28 28 ALA CB C 18.336 0.1 1 189 28 28 ALA N N 124.576 0.2 1 190 29 29 ASP H H 7.732 0.05 1 191 29 29 ASP HA H 4.303 0.05 1 192 29 29 ASP HB2 H 2.708 0.05 2 193 29 29 ASP HB3 H 2.833 0.05 2 194 29 29 ASP CA C 56.833 0.1 1 195 29 29 ASP CB C 41.400 0.1 1 196 29 29 ASP N N 118.850 0.2 1 197 30 30 ARG H H 7.835 0.05 1 198 30 30 ARG HA H 3.002 0.05 1 199 30 30 ARG C C 175.702 0.1 1 200 30 30 ARG CA C 62.179 0.1 1 201 30 30 ARG CB C 30.229 0.1 1 202 30 30 ARG CD C 42.325 0.1 1 203 31 31 LYS H H 8.051 0.05 1 204 31 31 LYS HA H 4.038 0.05 1 205 31 31 LYS HB2 H 1.972 0.05 2 206 31 31 LYS HG2 H 1.611 0.05 2 207 31 31 LYS HE2 H 2.944 0.05 2 208 31 31 LYS C C 179.192 0.1 1 209 31 31 LYS CA C 60.544 0.1 1 210 31 31 LYS CB C 32.456 0.1 1 211 31 31 LYS CG C 25.447 0.1 1 212 31 31 LYS CD C 29.655 0.1 1 213 31 31 LYS CE C 41.967 0.1 1 214 31 31 LYS N N 122.306 0.2 1 215 32 32 VAL H H 7.631 0.05 1 216 32 32 VAL HA H 3.768 0.05 1 217 32 32 VAL HB H 2.114 0.05 1 218 32 32 VAL HG1 H 0.991 0.05 2 219 32 32 VAL HG2 H 1.079 0.05 2 220 32 32 VAL C C 179.208 0.1 1 221 32 32 VAL CA C 66.014 0.1 1 222 32 32 VAL CB C 32.140 0.1 1 223 32 32 VAL CG1 C 21.195 0.1 2 224 32 32 VAL CG2 C 22.724 0.1 2 225 32 32 VAL N N 118.991 0.2 1 226 33 33 ALA H H 8.023 0.05 1 227 33 33 ALA HA H 4.286 0.05 1 228 33 33 ALA HB H 1.544 0.05 1 229 33 33 ALA C C 179.981 0.1 1 230 33 33 ALA CA C 54.992 0.1 1 231 33 33 ALA CB C 18.502 0.1 1 232 33 33 ALA N N 122.350 0.2 1 233 34 34 TRP H H 9.207 0.05 1 234 34 34 TRP HA H 4.725 0.05 1 235 34 34 TRP HB2 H 3.481 0.05 2 236 34 34 TRP HB3 H 3.551 0.05 2 237 34 34 TRP HD1 H 7.285 0.05 1 238 34 34 TRP HE1 H 10.264 0.05 1 239 34 34 TRP HE3 H 6.983 0.05 1 240 34 34 TRP HZ2 H 7.038 0.05 1 241 34 34 TRP HZ3 H 7.150 0.05 1 242 34 34 TRP HH2 H 5.425 0.05 1 243 34 34 TRP C C 175.963 0.1 1 244 34 34 TRP CA C 58.887 0.1 1 245 34 34 TRP CB C 31.110 0.1 1 246 34 34 TRP N N 119.179 0.2 1 247 34 34 TRP NE1 N 126.883 0.2 1 248 35 35 GLU H H 7.664 0.05 1 249 35 35 GLU HA H 3.560 0.05 1 250 35 35 GLU HB2 H 2.043 0.05 2 251 35 35 GLU HB3 H 2.115 0.05 2 252 35 35 GLU HG2 H 2.432 0.05 2 253 35 35 GLU C C 177.799 0.1 1 254 35 35 GLU CA C 59.215 0.1 1 255 35 35 GLU CB C 29.101 0.1 1 256 35 35 GLU CG C 36.199 0.1 1 257 35 35 GLU N N 115.576 0.2 1 258 36 36 ARG H H 6.960 0.05 1 259 36 36 ARG HA H 4.197 0.05 1 260 36 36 ARG HB2 H 1.870 0.05 2 261 36 36 ARG HB3 H 2.096 0.05 2 262 36 36 ARG HD2 H 2.546 0.05 2 263 36 36 ARG HD3 H 2.514 0.05 2 264 36 36 ARG C C 179.450 0.1 1 265 36 36 ARG CA C 58.548 0.1 1 266 36 36 ARG CB C 30.697 0.1 1 267 36 36 ARG CG C 26.769 0.1 1 268 36 36 ARG CD C 42.221 0.1 1 269 36 36 ARG N N 116.437 0.2 1 270 37 37 ILE H H 9.016 0.05 1 271 37 37 ILE HA H 3.378 0.05 1 272 37 37 ILE HB H 1.762 0.05 1 273 37 37 ILE HG13 H 1.994 0.05 2 274 37 37 ILE HG2 H 0.984 0.05 1 275 37 37 ILE HD1 H 1.111 0.05 1 276 37 37 ILE C C 171.886 0.1 1 277 37 37 ILE CA C 66.205 0.1 1 278 37 37 ILE CB C 39.024 0.1 1 279 37 37 ILE CG1 C 27.556 0.1 1 280 37 37 ILE CG2 C 18.317 0.1 1 281 37 37 ILE CD1 C 16.584 0.1 1 282 37 37 ILE N N 123.152 0.2 1 283 38 38 ARG H H 8.526 0.05 1 284 38 38 ARG HA H 3.588 0.05 1 285 38 38 ARG HB2 H -0.568 0.05 2 286 38 38 ARG HB3 H 1.022 0.05 2 287 38 38 ARG HG2 H 1.290 0.05 2 288 38 38 ARG HG3 H 1.111 0.05 2 289 38 38 ARG HD2 H 2.460 0.05 2 290 38 38 ARG C C 176.370 0.1 1 291 38 38 ARG CA C 57.687 0.1 1 292 38 38 ARG CB C 27.592 0.1 1 293 38 38 ARG CG C 25.553 0.1 1 294 38 38 ARG CD C 43.296 0.1 1 295 38 38 ARG N N 117.527 0.2 1 296 39 39 CYS H H 6.655 0.05 1 297 39 39 CYS HA H 4.403 0.05 1 298 39 39 CYS HB2 H 2.828 0.05 2 299 39 39 CYS HB3 H 2.936 0.05 2 300 39 39 CYS C C 174.729 0.1 1 301 39 39 CYS CA C 59.696 0.1 1 302 39 39 CYS CB C 27.758 0.1 1 303 39 39 CYS N N 113.921 0.2 1 304 40 40 ALA H H 7.744 0.05 1 305 40 40 ALA HA H 4.208 0.05 1 306 40 40 ALA HB H 1.428 0.05 1 307 40 40 ALA C C 177.598 0.1 1 308 40 40 ALA CA C 53.417 0.1 1 309 40 40 ALA CB C 19.893 0.1 1 310 40 40 ALA N N 123.507 0.2 1 311 41 41 ILE H H 7.577 0.05 1 312 41 41 ILE HA H 4.235 0.05 1 313 41 41 ILE HB H 2.062 0.05 1 314 41 41 ILE HG12 H 0.263 0.05 2 315 41 41 ILE HG13 H 0.669 0.05 2 316 41 41 ILE HG2 H 0.741 0.05 1 317 41 41 ILE HD1 H 0.832 0.05 1 318 41 41 ILE CA C 58.997 0.1 1 319 41 41 ILE CB C 39.380 0.1 1 320 41 41 ILE CG2 C 18.272 0.1 1 321 41 41 ILE CD1 C 13.381 0.1 1 322 41 41 ILE N N 115.332 0.2 1 323 42 42 PRO HA H 4.621 0.05 1 324 42 42 PRO HB2 H 1.723 0.05 2 325 42 42 PRO HB3 H 2.078 0.05 2 326 42 42 PRO HG2 H 1.745 0.05 2 327 42 42 PRO HG3 H 1.849 0.05 2 328 42 42 PRO HD2 H 3.255 0.05 2 329 42 42 PRO C C 176.034 0.1 1 330 42 42 PRO CA C 60.968 0.1 1 331 42 42 PRO CB C 30.317 0.1 1 332 42 42 PRO CG C 27.802 0.1 1 333 42 42 PRO CD C 50.315 0.1 1 334 43 43 ARG H H 8.288 0.05 1 335 43 43 ARG HA H 4.011 0.05 1 336 43 43 ARG HB2 H 1.860 0.05 2 337 43 43 ARG HG2 H 1.147 0.05 2 338 43 43 ARG HD2 H 2.918 0.05 2 339 43 43 ARG C C 175.529 0.1 1 340 43 43 ARG CA C 54.403 0.1 1 341 43 43 ARG CB C 32.287 0.1 1 342 43 43 ARG CG C 27.115 0.1 1 343 43 43 ARG CD C 42.208 0.1 1 344 43 43 ARG N N 129.977 0.2 1 345 44 44 ASP H H 7.794 0.05 1 346 44 44 ASP HA H 4.644 0.05 1 347 44 44 ASP HB2 H 2.694 0.05 2 348 44 44 ASP HB3 H 2.924 0.05 2 349 44 44 ASP C C 176.667 0.1 1 350 44 44 ASP CA C 54.219 0.1 1 351 44 44 ASP CB C 42.391 0.1 1 352 44 44 ASP N N 117.184 0.2 1 353 45 45 LYS H H 8.887 0.05 1 354 45 45 LYS HA H 4.398 0.05 1 355 45 45 LYS HB2 H 1.670 0.05 2 356 45 45 LYS HB3 H 1.906 0.05 2 357 45 45 LYS HG2 H 1.425 0.05 2 358 45 45 LYS HE2 H 2.805 0.05 2 359 45 45 LYS HE3 H 2.893 0.05 2 360 45 45 LYS C C 175.479 0.1 1 361 45 45 LYS CA C 56.594 0.1 1 362 45 45 LYS CB C 33.157 0.1 1 363 45 45 LYS CG C 24.323 0.1 1 364 45 45 LYS CD C 29.457 0.1 1 365 45 45 LYS CE C 41.959 0.1 1 366 45 45 LYS N N 118.035 0.2 1 367 46 46 ASP H H 7.859 0.05 1 368 46 46 ASP HA H 4.469 0.05 1 369 46 46 ASP HB2 H 2.709 0.05 2 370 46 46 ASP HB3 H 2.880 0.05 2 371 46 46 ASP C C 175.106 0.1 1 372 46 46 ASP CA C 53.423 0.1 1 373 46 46 ASP CB C 42.007 0.1 1 374 46 46 ASP N N 118.162 0.2 1 375 47 47 ALA H H 8.669 0.05 1 376 47 47 ALA HA H 4.492 0.05 1 377 47 47 ALA HB H 1.449 0.05 1 378 47 47 ALA C C 180.411 0.1 1 379 47 47 ALA CA C 55.734 0.1 1 380 47 47 ALA CB C 18.634 0.1 1 381 47 47 ALA N N 122.249 0.2 1 382 48 48 GLU H H 8.405 0.05 1 383 48 48 GLU HA H 4.577 0.05 1 384 48 48 GLU HB2 H 2.900 0.05 2 385 48 48 GLU C C 174.915 0.1 1 386 48 48 GLU CA C 58.243 0.1 1 387 48 48 GLU CB C 28.117 0.1 1 388 48 48 GLU CG C 36.225 0.1 1 389 48 48 GLU N N 119.711 0.2 1 390 49 49 SER H H 8.483 0.05 1 391 49 49 SER HA H 4.226 0.05 1 392 49 49 SER HB2 H 3.734 0.05 2 393 49 49 SER HB3 H 3.734 0.05 2 394 49 49 SER CA C 58.650 0.1 1 395 49 49 SER CB C 63.982 0.1 1 396 49 49 SER N N 118.601 0.2 1 397 50 50 LYS H H 8.094 0.05 1 398 50 50 LYS HA H 3.960 0.05 1 399 50 50 LYS HB2 H 1.848 0.05 2 400 50 50 LYS HG2 H 1.250 0.05 2 401 50 50 LYS HD2 H 1.550 0.05 2 402 50 50 LYS HE2 H 2.871 0.05 2 403 50 50 LYS C C 179.741 0.1 1 404 50 50 LYS CA C 60.200 0.1 1 405 50 50 LYS CB C 32.384 0.1 1 406 50 50 LYS CG C 24.599 0.1 1 407 50 50 LYS CD C 29.720 0.1 1 408 50 50 LYS CE C 42.116 0.1 1 409 51 51 SER H H 7.833 0.05 1 410 51 51 SER HA H 4.227 0.05 1 411 51 51 SER HB2 H 4.000 0.05 2 412 51 51 SER CA C 61.499 0.1 1 413 51 51 SER CB C 62.573 0.1 1 414 51 51 SER N N 114.834 0.2 1 415 52 52 ARG H H 8.416 0.05 1 416 53 53 ARG H H 8.320 0.05 1 417 53 53 ARG HA H 3.976 0.05 1 418 53 53 ARG HB2 H 2.088 0.05 2 419 53 53 ARG HD2 H 3.231 0.05 2 420 53 53 ARG HD3 H 3.466 0.05 2 421 53 53 ARG C C 177.955 0.2 1 422 53 53 ARG CA C 61.948 0.1 1 423 53 53 ARG CB C 32.339 0.1 1 424 53 53 ARG CG C 29.274 0.1 1 425 53 53 ARG CD C 43.255 0.1 1 426 54 54 ILE H H 7.550 0.05 1 427 54 54 ILE HA H 3.599 0.05 1 428 54 54 ILE HB H 2.043 0.05 1 429 54 54 ILE HG12 H 0.908 0.05 2 430 54 54 ILE HG13 H 1.757 0.05 2 431 54 54 ILE HG2 H 0.877 0.05 1 432 54 54 ILE HD1 H 0.760 0.05 1 433 54 54 ILE C C 177.809 0.1 1 434 54 54 ILE CA C 65.163 0.1 1 435 54 54 ILE CB C 38.166 0.1 1 436 54 54 ILE CG1 C 29.592 0.1 1 437 54 54 ILE CG2 C 17.116 0.1 1 438 54 54 ILE CD1 C 13.905 0.1 1 439 54 54 ILE N N 120.015 0.2 1 440 55 55 GLU H H 7.790 0.05 1 441 55 55 GLU HA H 3.982 0.05 1 442 55 55 GLU HB2 H 2.112 0.05 2 443 55 55 GLU HG2 H 2.329 0.05 2 444 55 55 GLU CA C 59.341 0.1 1 445 55 55 GLU CB C 29.359 0.1 1 446 55 55 GLU CG C 36.163 0.1 1 447 55 55 GLU N N 119.405 0.2 1 448 56 56 LEU H H 8.271 0.05 1 449 56 56 LEU HA H 4.379 0.05 1 450 56 56 LEU HB2 H 1.883 0.05 2 451 56 56 LEU HB3 H 1.999 0.05 2 452 56 56 LEU HG H 1.966 0.05 1 453 56 56 LEU HD1 H 1.118 0.05 2 454 56 56 LEU HD2 H 1.182 0.05 2 455 56 56 LEU CB C 42.884 0.1 1 456 56 56 LEU CG C 27.416 0.1 1 457 56 56 LEU CD1 C 25.840 0.1 2 458 56 56 LEU CD2 C 24.645 0.1 2 459 57 57 PHE H H 8.271 0.05 1 460 57 57 PHE HA H 3.267 0.05 1 461 57 57 PHE HB2 H 2.787 0.05 2 462 57 57 PHE HD1 H 6.134 0.05 3 463 57 57 PHE HD2 H 6.134 0.05 3 464 57 57 PHE HE1 H 6.560 0.05 3 465 57 57 PHE HE2 H 6.560 0.05 3 466 57 57 PHE HZ H 6.834 0.05 1 467 57 57 PHE C C 176.896 0.1 1 468 57 57 PHE CA C 61.755 0.1 1 469 57 57 PHE CB C 38.769 0.1 1 470 58 58 LYS H H 7.843 0.05 1 471 58 58 LYS HA H 3.812 0.05 1 472 58 58 LYS HB2 H 1.858 0.05 2 473 58 58 LYS HG2 H 1.395 0.05 2 474 58 58 LYS HD2 H 1.602 0.05 2 475 58 58 LYS HE2 H 2.849 0.05 2 476 58 58 LYS C C 178.979 0.1 1 477 58 58 LYS CA C 59.383 0.1 1 478 58 58 LYS CB C 32.065 0.1 1 479 58 58 LYS CG C 25.459 0.1 1 480 58 58 LYS CD C 29.510 0.1 1 481 58 58 LYS CE C 42.097 0.1 1 482 58 58 LYS N N 116.187 0.2 1 483 59 59 GLN H H 7.712 0.05 1 484 59 59 GLN HA H 3.912 0.05 1 485 59 59 GLN HB2 H 2.135 0.05 2 486 59 59 GLN HB3 H 2.401 0.05 2 487 59 59 GLN HG2 H 2.346 0.05 2 488 59 59 GLN HG3 H 2.626 0.05 2 489 59 59 GLN HE21 H 6.717 0.05 2 490 59 59 GLN HE22 H 7.139 0.05 2 491 59 59 GLN C C 177.899 0.1 1 492 59 59 GLN CA C 58.518 0.1 1 493 59 59 GLN CB C 29.177 0.1 1 494 59 59 GLN CG C 34.491 0.1 1 495 59 59 GLN N N 117.124 0.2 1 496 59 59 GLN NE2 N 110.888 0.2 1 497 60 60 PHE H H 8.025 0.05 1 498 60 60 PHE HA H 4.774 0.05 1 499 60 60 PHE HB2 H 2.551 0.05 2 500 60 60 PHE HB3 H 2.890 0.05 2 501 60 60 PHE HD1 H 7.122 0.05 3 502 60 60 PHE HD2 H 7.122 0.05 3 503 60 60 PHE HE1 H 7.581 0.05 3 504 60 60 PHE HE2 H 7.581 0.05 3 505 60 60 PHE HZ H 8.510 0.05 1 506 60 60 PHE C C 176.754 0.1 1 507 60 60 PHE CA C 59.561 0.1 1 508 60 60 PHE CB C 40.644 0.1 1 509 60 60 PHE N N 118.317 0.2 1 510 61 61 ASP H H 7.532 0.05 1 511 61 61 ASP HA H 4.435 0.05 1 512 61 61 ASP HB2 H 2.512 0.05 2 513 61 61 ASP C C 176.612 0.1 1 514 61 61 ASP CA C 52.356 0.1 1 515 61 61 ASP CB C 38.655 0.1 1 516 61 61 ASP N N 118.820 0.2 1 517 62 62 THR H H 8.014 0.05 1 518 62 62 THR HA H 3.917 0.05 1 519 62 62 THR HB H 4.130 0.05 1 520 62 62 THR HG2 H 1.181 0.05 1 521 62 62 THR C C 176.419 0.1 1 522 62 62 THR CA C 64.328 0.1 1 523 62 62 THR CB C 68.606 0.1 1 524 62 62 THR CG2 C 22.022 0.1 1 525 62 62 THR N N 117.480 0.2 1 526 63 63 ASN H H 8.502 0.05 1 527 63 63 ASN HA H 4.785 0.05 1 528 63 63 ASN HB2 H 2.884 0.05 2 529 63 63 ASN HB3 H 2.925 0.05 2 530 63 63 ASN HD21 H 7.000 0.05 2 531 63 63 ASN HD22 H 7.759 0.05 2 532 63 63 ASN C C 176.065 0.1 1 533 63 63 ASN CA C 53.355 0.1 1 534 63 63 ASN CB C 39.163 0.1 1 535 63 63 ASN N N 116.922 0.2 1 536 63 63 ASN ND2 N 115.155 0.2 1 537 64 64 GLY H H 7.812 0.05 1 538 64 64 GLY HA2 H 3.740 0.05 2 539 64 64 GLY C C 175.439 0.1 1 540 64 64 GLY CA C 47.205 0.1 1 541 64 64 GLY N N 110.532 0.2 1 542 65 65 THR H H 8.515 0.05 1 543 65 65 THR HA H 4.279 0.05 1 544 65 65 THR HB H 4.298 0.05 1 545 65 65 THR HG2 H 1.110 0.05 1 546 65 65 THR C C 176.791 0.1 1 547 65 65 THR CA C 61.959 0.1 1 548 65 65 THR CB C 70.541 0.1 1 549 65 65 THR CG2 C 21.952 0.1 1 550 65 65 THR N N 111.337 0.2 1 551 66 66 GLY H H 10.504 0.05 1 552 66 66 GLY HA2 H 3.539 0.05 2 553 66 66 GLY HA3 H 4.155 0.05 2 554 66 66 GLY C C 172.851 0.1 1 555 66 66 GLY CA C 45.604 0.1 1 556 66 66 GLY N N 115.676 0.2 1 557 67 67 LYS H H 7.548 0.05 1 558 67 67 LYS HA H 5.015 0.05 1 559 67 67 LYS HB2 H 1.582 0.05 2 560 67 67 LYS HG2 H 1.309 0.05 2 561 67 67 LYS HG3 H 1.339 0.05 2 562 67 67 LYS HD2 H 1.566 0.05 2 563 67 67 LYS HE2 H 2.908 0.05 2 564 67 67 LYS C C 174.551 0.1 1 565 67 67 LYS CA C 54.715 0.1 1 566 67 67 LYS CB C 36.117 0.1 1 567 67 67 LYS CG C 25.101 0.1 1 568 67 67 LYS CD C 29.505 0.1 1 569 67 67 LYS CE C 42.282 0.1 1 570 67 67 LYS N N 117.790 0.2 1 571 68 68 LEU H H 9.119 0.05 1 572 68 68 LEU HA H 4.702 0.05 1 573 68 68 LEU HB2 H 1.544 0.05 2 574 68 68 LEU HB3 H 1.759 0.05 2 575 68 68 LEU HG H 0.534 0.05 1 576 68 68 LEU HD1 H 0.527 0.05 2 577 68 68 LEU HD2 H 1.463 0.05 2 578 68 68 LEU C C 176.389 0.1 1 579 68 68 LEU CA C 53.536 0.1 1 580 68 68 LEU CB C 45.119 0.1 1 581 68 68 LEU CG C 27.792 0.1 1 582 68 68 LEU CD1 C 23.302 0.1 2 583 68 68 LEU CD2 C 26.971 0.1 2 584 68 68 LEU N N 121.460 0.2 1 585 69 69 GLY H H 8.622 0.05 1 586 69 69 GLY HA2 H 3.906 0.05 2 587 69 69 GLY HA3 H 4.945 0.05 2 588 69 69 GLY C C 174.147 0.1 1 589 69 69 GLY CA C 43.687 0.1 1 590 69 69 GLY N N 109.694 0.2 1 591 70 70 PHE H H 9.099 0.05 1 592 70 70 PHE HA H 3.474 0.05 1 593 70 70 PHE HB2 H 2.362 0.05 2 594 70 70 PHE HB3 H 2.581 0.05 2 595 70 70 PHE HD1 H 6.533 0.05 3 596 70 70 PHE HD2 H 6.533 0.05 3 597 70 70 PHE HE1 H 7.046 0.05 3 598 70 70 PHE HE2 H 7.046 0.05 3 599 70 70 PHE HZ H 8.213 0.05 1 600 70 70 PHE C C 176.731 0.1 1 601 70 70 PHE CA C 62.348 0.1 1 602 70 70 PHE CB C 38.820 0.1 1 603 70 70 PHE N N 121.798 0.2 1 604 71 71 ARG H H 8.723 0.05 1 605 71 71 ARG HA H 3.619 0.05 1 606 71 71 ARG HB2 H 1.795 0.05 2 607 71 71 ARG HG2 H 1.702 0.05 2 608 71 71 ARG HD2 H 3.198 0.05 2 609 71 71 ARG C C 177.985 0.1 1 610 71 71 ARG CA C 59.235 0.1 1 611 71 71 ARG CB C 29.402 0.1 1 612 71 71 ARG CG C 26.633 0.1 1 613 71 71 ARG CD C 42.953 0.1 1 614 71 71 ARG N N 116.876 0.2 1 615 72 72 GLU H H 7.690 0.05 1 616 72 72 GLU HA H 4.170 0.05 1 617 72 72 GLU HB2 H 2.110 0.05 2 618 72 72 GLU HG2 H 2.329 0.05 2 619 72 72 GLU C C 181.075 0.1 1 620 72 72 GLU CA C 60.539 0.1 1 621 72 72 GLU CB C 29.987 0.1 1 622 72 72 GLU CG C 37.991 0.1 1 623 72 72 GLU N N 117.155 0.2 1 624 73 73 VAL H H 8.113 0.05 1 625 73 73 VAL HA H 4.041 0.05 1 626 73 73 VAL HB H 2.111 0.05 1 627 73 73 VAL HG1 H 1.015 0.05 2 628 73 73 VAL HG2 H 1.183 0.05 2 629 73 73 VAL C C 178.093 0.1 1 630 73 73 VAL CA C 66.945 0.1 1 631 73 73 VAL CB C 31.455 0.1 1 632 73 73 VAL CG1 C 22.172 0.1 2 633 73 73 VAL CG2 C 23.832 0.1 2 634 73 73 VAL N N 120.365 0.2 1 635 74 74 LEU H H 8.716 0.05 1 636 74 74 LEU HA H 3.763 0.05 1 637 74 74 LEU HB2 H 0.700 0.05 2 638 74 74 LEU HB3 H 1.666 0.05 2 639 74 74 LEU HG H 1.705 0.05 1 640 74 74 LEU HD1 H 0.737 0.05 2 641 74 74 LEU C C 178.320 0.1 1 642 74 74 LEU CA C 59.036 0.1 1 643 74 74 LEU CB C 40.762 0.1 1 644 74 74 LEU CG C 26.392 0.1 1 645 74 74 LEU CD1 C 24.001 0.1 2 646 74 74 LEU N N 123.750 0.2 1 647 75 75 ASP H H 8.651 0.05 1 648 75 75 ASP HA H 4.548 0.05 1 649 75 75 ASP HB2 H 2.551 0.05 2 650 75 75 ASP HB3 H 2.700 0.05 2 651 75 75 ASP C C 180.393 0.1 1 652 75 75 ASP CA C 57.986 0.1 1 653 75 75 ASP CB C 40.128 0.1 1 654 75 75 ASP N N 117.471 0.2 1 655 76 76 GLY H H 7.786 0.05 1 656 76 76 GLY HA2 H 2.649 0.05 2 657 76 76 GLY HA3 H 3.627 0.05 2 658 76 76 GLY C C 176.927 0.1 1 659 76 76 GLY CA C 46.847 0.1 1 660 76 76 GLY N N 106.885 0.2 1 661 77 77 CYS H H 8.494 0.05 1 662 77 77 CYS HA H 4.187 0.05 1 663 77 77 CYS HB2 H 3.372 0.05 2 664 77 77 CYS C C 176.238 0.1 1 665 77 77 CYS CA C 66.275 0.1 1 666 77 77 CYS CB C 26.744 0.1 1 667 77 77 CYS N N 122.970 0.2 1 668 78 78 TYR H H 7.947 0.05 1 669 78 78 TYR HA H 4.303 0.05 1 670 78 78 TYR HB2 H 2.991 0.05 2 671 78 78 TYR HD1 H 7.186 0.05 3 672 78 78 TYR HD2 H 7.186 0.05 3 673 78 78 TYR HE1 H 6.849 0.05 3 674 78 78 TYR HE2 H 6.849 0.05 3 675 78 78 TYR C C 179.145 0.1 1 676 78 78 TYR CA C 62.389 0.1 1 677 78 78 TYR CB C 39.444 0.1 1 678 78 78 TYR N N 117.308 0.2 1 679 79 79 GLY H H 8.815 0.05 1 680 79 79 GLY HA2 H 3.944 0.05 2 681 79 79 GLY C C 174.728 0.1 1 682 79 79 GLY CA C 47.465 0.1 1 683 79 79 GLY N N 105.483 0.2 1 684 80 80 ILE H H 8.357 0.05 1 685 80 80 ILE HA H 4.062 0.05 1 686 80 80 ILE HB H 1.754 0.05 1 687 80 80 ILE HG12 H 0.902 0.05 2 688 80 80 ILE HG13 H 1.425 0.05 2 689 80 80 ILE HG2 H 0.833 0.05 1 690 80 80 ILE HD1 H 0.350 0.05 1 691 80 80 ILE C C 178.115 0.1 1 692 80 80 ILE CA C 62.710 0.1 1 693 80 80 ILE CB C 38.218 0.1 1 694 80 80 ILE CG1 C 27.429 0.1 1 695 80 80 ILE CG2 C 17.093 0.1 1 696 80 80 ILE CD1 C 13.366 0.1 1 697 80 80 ILE N N 119.386 0.2 1 698 81 81 LEU H H 6.893 0.05 1 699 81 81 LEU HA H 4.388 0.05 1 700 81 81 LEU HB2 H 1.649 0.05 2 701 81 81 LEU HB3 H 1.435 0.05 2 702 81 81 LEU HG H 1.740 0.05 1 703 81 81 LEU HD1 H 0.975 0.05 2 704 81 81 LEU HD2 H 1.119 0.05 2 705 81 81 LEU C C 175.495 0.1 1 706 81 81 LEU CA C 55.212 0.1 1 707 81 81 LEU CB C 43.910 0.1 1 708 81 81 LEU CG C 26.971 0.1 1 709 81 81 LEU CD1 C 22.994 0.1 2 710 81 81 LEU CD2 C 26.537 0.1 2 711 81 81 LEU N N 113.867 0.2 1 712 82 82 LYS H H 7.014 0.05 1 713 82 82 LYS HA H 4.582 0.05 1 714 82 82 LYS HB2 H 1.689 0.05 2 715 82 82 LYS HB3 H 2.027 0.05 2 716 82 82 LYS HG2 H 1.229 0.05 2 717 82 82 LYS HE2 H 2.939 0.05 2 718 82 82 LYS C C 178.318 0.1 1 719 82 82 LYS CA C 56.965 0.1 1 720 82 82 LYS CB C 29.391 0.1 1 721 82 82 LYS CG C 24.763 0.1 1 722 82 82 LYS CD C 29.765 0.1 1 723 82 82 LYS CE C 42.228 0.1 1 724 82 82 LYS N N 117.907 0.2 1 725 83 83 LEU H H 8.335 0.05 1 726 83 83 LEU HA H 4.143 0.05 1 727 83 83 LEU HB2 H 1.750 0.05 2 728 83 83 LEU HG H 0.913 0.05 1 729 83 83 LEU HD1 H 0.995 0.05 2 730 83 83 LEU C C 177.756 0.1 1 731 83 83 LEU CA C 57.159 0.1 1 732 83 83 LEU CB C 42.012 0.1 1 733 83 83 LEU CG C 26.216 0.1 1 734 83 83 LEU CD1 C 23.618 0.1 2 735 83 83 LEU N N 114.327 0.2 1 736 84 84 ASP H H 9.780 0.05 1 737 84 84 ASP HA H 4.752 0.05 1 738 84 84 ASP HB2 H 2.540 0.05 2 739 84 84 ASP HB3 H 2.936 0.05 2 740 84 84 ASP C C 176.090 0.1 1 741 84 84 ASP CA C 54.130 0.1 1 742 84 84 ASP CB C 38.418 0.1 1 743 84 84 ASP N N 116.658 0.2 1 744 85 85 GLU H H 7.533 0.05 1 745 85 85 GLU HA H 3.963 0.05 1 746 85 85 GLU HB2 H 1.890 0.05 2 747 85 85 GLU HB3 H 2.101 0.05 2 748 85 85 GLU HG2 H 2.446 0.05 2 749 85 85 GLU C C 176.747 0.1 1 750 85 85 GLU CA C 58.313 0.1 1 751 85 85 GLU CB C 30.887 0.1 1 752 85 85 GLU CG C 36.385 0.1 1 753 85 85 GLU N N 119.336 0.2 1 754 86 86 PHE H H 7.705 0.05 1 755 86 86 PHE HA H 3.895 0.05 1 756 86 86 PHE HB2 H 2.494 0.05 2 757 86 86 PHE HB3 H 2.743 0.05 2 758 86 86 PHE HD1 H 6.373 0.05 3 759 86 86 PHE HD2 H 6.373 0.05 3 760 86 86 PHE HE1 H 6.851 0.05 3 761 86 86 PHE HE2 H 6.851 0.05 3 762 86 86 PHE HZ H 7.473 0.05 1 763 86 86 PHE C C 173.018 0.1 1 764 86 86 PHE CA C 59.565 0.1 1 765 86 86 PHE CB C 42.348 0.1 1 766 86 86 PHE N N 114.373 0.2 1 767 87 87 THR H H 6.903 0.05 1 768 87 87 THR HA H 4.735 0.05 1 769 87 87 THR HB H 4.068 0.05 1 770 87 87 THR HG2 H 1.161 0.05 1 771 87 87 THR C C 176.670 0.1 1 772 87 87 THR CA C 58.212 0.1 1 773 87 87 THR CB C 69.251 0.1 1 774 87 87 THR CG2 C 21.046 0.1 1 775 87 87 THR N N 107.870 0.2 1 776 88 88 THR H H 8.531 0.05 1 777 88 88 THR HA H 4.595 0.05 1 778 88 88 THR HB H 4.421 0.05 1 779 88 88 THR HG2 H 1.204 0.05 1 780 88 88 THR C C 175.688 0.1 1 781 88 88 THR CA C 62.606 0.1 1 782 88 88 THR CB C 68.654 0.1 1 783 88 88 THR CG2 C 22.247 0.1 1 784 88 88 THR N N 117.509 0.2 1 785 89 89 HIS H H 8.853 0.05 1 786 89 89 HIS HA H 5.202 0.05 1 787 89 89 HIS HB2 H 2.959 0.05 2 788 89 89 HIS HB3 H 3.669 0.05 2 789 89 89 HIS HD2 H 7.198 0.05 1 790 89 89 HIS HE1 H 9.596 0.05 1 791 89 89 HIS CA C 53.534 0.1 1 792 89 89 HIS CB C 28.339 0.1 1 793 89 89 HIS N N 123.146 0.2 1 794 90 90 LEU H H 8.247 0.05 1 795 90 90 LEU HA H 4.136 0.05 1 796 90 90 LEU HB2 H 2.064 0.05 2 797 90 90 LEU HG H 1.737 0.05 1 798 90 90 LEU HD1 H 1.193 0.05 2 799 90 90 LEU HD2 H 0.045 0.05 2 800 90 90 LEU CD1 C 19.113 0.1 2 801 90 90 LEU CD2 C 25.079 0.1 2 802 91 91 PRO HA H 4.174 0.05 1 803 91 91 PRO HB2 H 1.977 0.05 2 804 91 91 PRO HB3 H 2.494 0.05 2 805 91 91 PRO HD2 H 3.702 0.05 2 806 91 91 PRO HD3 H 4.222 0.05 2 807 91 91 PRO C C 178.235 0.1 1 808 91 91 PRO CA C 67.402 0.1 1 809 91 91 PRO CB C 30.826 0.1 1 810 91 91 PRO CG C 29.327 0.1 1 811 91 91 PRO CD C 51.155 0.1 1 812 92 92 ASP H H 7.448 0.05 1 813 92 92 ASP HA H 4.430 0.05 1 814 92 92 ASP HB2 H 2.789 0.05 2 815 92 92 ASP C C 180.835 0.1 1 816 92 92 ASP CA C 57.029 0.1 1 817 92 92 ASP CB C 41.177 0.1 1 818 92 92 ASP N N 114.885 0.2 1 819 93 93 ILE H H 7.624 0.05 1 820 93 93 ILE HA H 3.912 0.05 1 821 93 93 ILE HB H 2.075 0.05 1 822 93 93 ILE HG12 H 1.499 0.05 2 823 93 93 ILE HG13 H 1.837 0.05 2 824 93 93 ILE HG2 H 1.030 0.05 1 825 93 93 ILE HD1 H 1.073 0.05 1 826 93 93 ILE C C 177.602 0.1 1 827 93 93 ILE CA C 64.192 0.1 1 828 93 93 ILE CB C 38.518 0.1 1 829 93 93 ILE CG1 C 28.960 0.1 1 830 93 93 ILE CG2 C 17.362 0.1 1 831 93 93 ILE CD1 C 13.364 0.1 1 832 93 93 ILE N N 120.313 0.2 1 833 94 94 VAL H H 8.662 0.05 1 834 94 94 VAL HA H 3.444 0.05 1 835 94 94 VAL HB H 2.027 0.05 1 836 94 94 VAL HG1 H 0.807 0.05 2 837 94 94 VAL HG2 H 0.953 0.05 2 838 94 94 VAL C C 177.412 0.1 1 839 94 94 VAL CA C 67.100 0.1 1 840 94 94 VAL CB C 30.918 0.1 1 841 94 94 VAL CG1 C 22.449 0.1 2 842 94 94 VAL CG2 C 24.568 0.1 2 843 94 94 VAL N N 119.378 0.2 1 844 95 95 GLN H H 8.391 0.05 1 845 95 95 GLN HA H 3.971 0.05 1 846 95 95 GLN HB2 H 2.124 0.05 2 847 95 95 GLN HE21 H 6.083 0.05 2 848 95 95 GLN HE22 H 7.454 0.05 2 849 95 95 GLN C C 177.473 0.1 1 850 95 95 GLN CA C 59.689 0.1 1 851 95 95 GLN CB C 28.598 0.1 1 852 95 95 GLN CG C 33.403 0.1 1 853 95 95 GLN N N 119.792 0.2 1 854 95 95 GLN NE2 N 113.822 0.2 1 855 96 96 ARG H H 7.597 0.05 1 856 96 96 ARG HA H 4.037 0.05 1 857 96 96 ARG HB2 H 1.893 0.05 2 858 96 96 ARG C C 178.033 0.1 1 859 96 96 ARG CA C 59.411 0.1 1 860 96 96 ARG CB C 30.032 0.1 1 861 96 96 ARG CG C 27.735 0.1 1 862 96 96 ARG CD C 43.906 0.1 1 863 96 96 ARG N N 118.208 0.2 1 864 97 97 ALA H H 8.231 0.05 1 865 97 97 ALA HA H 2.708 0.05 1 866 97 97 ALA HB H 1.367 0.05 1 867 97 97 ALA C C 178.239 0.1 1 868 97 97 ALA CA C 54.580 0.1 1 869 97 97 ALA CB C 19.516 0.1 1 870 97 97 ALA N N 122.044 0.2 1 871 98 98 PHE H H 8.739 0.05 1 872 98 98 PHE HA H 3.974 0.05 1 873 98 98 PHE HB2 H 3.217 0.05 2 874 98 98 PHE HB3 H 3.470 0.05 2 875 98 98 PHE HD1 H 6.885 0.05 3 876 98 98 PHE HD2 H 6.885 0.05 3 877 98 98 PHE HE1 H 6.997 0.05 3 878 98 98 PHE HE2 H 6.997 0.05 3 879 98 98 PHE HZ H 7.444 0.05 1 880 98 98 PHE C C 176.374 0.1 1 881 98 98 PHE CA C 61.377 0.1 1 882 98 98 PHE CB C 40.389 0.1 1 883 98 98 PHE N N 120.846 0.2 1 884 99 99 ASP H H 8.357 0.05 1 885 99 99 ASP HA H 4.201 0.05 1 886 99 99 ASP HB2 H 2.624 0.05 2 887 99 99 ASP CA C 57.740 0.1 1 888 99 99 ASP CB C 40.282 0.1 1 889 99 99 ASP N N 118.385 0.2 1 890 100 100 LYS H H 8.111 0.05 1 891 100 100 LYS HA H 4.047 0.05 1 892 100 100 LYS HB2 H 1.854 0.05 2 893 100 100 LYS HB3 H 1.817 0.05 2 894 100 100 LYS HE2 H 3.156 0.05 2 895 100 100 LYS HE3 H 3.275 0.05 2 896 100 100 LYS CE C 43.744 0.1 1 897 101 101 ALA H H 8.250 0.05 1 898 101 101 ALA HA H 3.753 0.05 1 899 101 101 ALA HB H 1.373 0.05 1 900 101 101 ALA C C 179.792 0.1 1 901 101 101 ALA CA C 55.222 0.1 1 902 101 101 ALA CB C 19.499 0.1 1 903 102 102 LYS H H 7.718 0.05 1 904 102 102 LYS HA H 3.954 0.05 1 905 102 102 LYS HB2 H 1.705 0.05 2 906 102 102 LYS HG2 H 1.358 0.05 2 907 102 102 LYS HE2 H 2.849 0.05 2 908 102 102 LYS C C 179.231 0.1 1 909 102 102 LYS CA C 58.905 0.1 1 910 102 102 LYS CB C 31.171 0.1 1 911 102 102 LYS CG C 24.468 0.1 1 912 102 102 LYS CD C 29.245 0.1 1 913 102 102 LYS CE C 41.595 0.1 1 914 102 102 LYS N N 115.312 0.2 1 915 103 103 ASP H H 7.593 0.05 1 916 103 103 ASP HA H 4.361 0.05 1 917 103 103 ASP HB2 H 2.735 0.05 2 918 103 103 ASP C C 178.352 0.1 1 919 103 103 ASP CA C 57.070 0.1 1 920 103 103 ASP CB C 41.407 0.1 1 921 103 103 ASP N N 119.909 0.2 1 922 104 104 LEU H H 8.109 0.05 1 923 104 104 LEU HA H 4.105 0.05 1 924 104 104 LEU HB2 H 1.395 0.05 2 925 104 104 LEU HB3 H 1.661 0.05 2 926 104 104 LEU HG H 0.779 0.05 1 927 104 104 LEU HD1 H 0.776 0.05 2 928 104 104 LEU HD2 H 1.043 0.05 2 929 104 104 LEU C C 178.818 0.1 1 930 104 104 LEU CA C 56.521 0.1 1 931 104 104 LEU CB C 42.664 0.1 1 932 104 104 LEU CG C 26.173 0.1 1 933 104 104 LEU CD1 C 22.929 0.1 2 934 104 104 LEU N N 118.123 0.2 1 935 105 105 GLY H H 8.098 0.05 1 936 105 105 GLY HA2 H 3.723 0.05 2 937 105 105 GLY C C 173.875 0.1 1 938 105 105 GLY CA C 45.881 0.1 1 939 105 105 GLY N N 107.302 0.2 1 940 106 106 ASN H H 7.909 0.05 1 941 106 106 ASN HA H 4.455 0.05 1 942 106 106 ASN HB2 H 2.662 0.05 2 943 106 106 ASN HB3 H 2.858 0.05 2 944 106 106 ASN HD21 H 6.764 0.05 2 945 106 106 ASN HD22 H 7.540 0.05 2 946 106 106 ASN C C 175.198 0.1 1 947 106 106 ASN CA C 54.172 0.1 1 948 106 106 ASN CB C 38.251 0.1 1 949 106 106 ASN N N 116.514 0.2 1 950 106 106 ASN ND2 N 112.289 0.2 1 951 107 107 LYS H H 8.359 0.05 1 952 107 107 LYS HA H 4.278 0.05 1 953 107 107 LYS HB2 H 1.709 0.05 2 954 107 107 LYS HE2 H 2.894 0.05 2 955 107 107 LYS C C 176.835 0.1 1 956 107 107 LYS CA C 56.075 0.1 1 957 107 107 LYS CB C 32.623 0.1 1 958 107 107 LYS CG C 24.518 0.1 1 959 107 107 LYS CD C 28.597 0.1 1 960 107 107 LYS CE C 42.159 0.1 1 961 107 107 LYS N N 119.777 0.2 1 962 108 108 VAL H H 8.127 0.05 1 963 108 108 VAL HA H 3.962 0.05 1 964 108 108 VAL HB H 1.971 0.05 1 965 108 108 VAL HG1 H 0.933 0.05 2 966 108 108 VAL HG2 H 0.873 0.05 2 967 108 108 VAL C C 176.133 0.1 1 968 108 108 VAL CA C 63.028 0.1 1 969 108 108 VAL CB C 32.050 0.1 1 970 108 108 VAL CG1 C 20.913 0.1 2 971 108 108 VAL N N 122.127 0.2 1 972 109 109 LYS H H 8.389 0.05 1 973 109 109 LYS HA H 4.368 0.05 1 974 109 109 LYS HB2 H 1.723 0.05 2 975 109 109 LYS HG2 H 1.411 0.05 2 976 109 109 LYS HE2 H 2.921 0.05 2 977 109 109 LYS C C 176.932 0.1 1 978 109 109 LYS CA C 55.625 0.1 1 979 109 109 LYS CB C 33.579 0.1 1 980 109 109 LYS CG C 24.598 0.1 1 981 109 109 LYS CD C 28.713 0.1 1 982 109 109 LYS CE C 42.041 0.1 1 983 109 109 LYS N N 125.615 0.2 1 984 110 110 GLY H H 8.541 0.05 1 985 110 110 GLY HA2 H 3.766 0.05 2 986 110 110 GLY HA3 H 4.017 0.05 2 987 110 110 GLY C C 173.744 0.1 1 988 110 110 GLY CA C 44.553 0.1 1 989 110 110 GLY N N 110.598 0.2 1 990 111 111 VAL H H 8.118 0.05 1 991 111 111 VAL HA H 3.968 0.05 1 992 111 111 VAL HB H 1.979 0.05 1 993 111 111 VAL HG1 H 0.908 0.05 2 994 111 111 VAL HG2 H 0.853 0.05 2 995 111 111 VAL C C 177.461 0.1 1 996 111 111 VAL CA C 63.342 0.1 1 997 111 111 VAL CB C 31.961 0.1 1 998 111 111 VAL CG1 C 20.991 0.1 2 999 111 111 VAL CG2 C 21.091 0.1 2 1000 111 111 VAL N N 119.970 0.2 1 1001 112 112 GLY H H 8.817 0.05 1 1002 112 112 GLY HA2 H 3.869 0.05 2 1003 112 112 GLY HA3 H 4.046 0.05 2 1004 112 112 GLY C C 177.010 0.1 1 1005 112 112 GLY CA C 45.380 0.1 1 1006 112 112 GLY N N 115.019 0.2 1 1007 113 113 GLU H H 8.111 0.05 1 1008 113 113 GLU HA H 4.360 0.05 1 1009 113 113 GLU HB2 H 1.884 0.05 2 1010 113 113 GLU HG2 H 2.126 0.05 2 1011 113 113 GLU C C 176.671 0.1 1 1012 113 113 GLU CA C 55.998 0.1 1 1013 113 113 GLU CB C 30.139 0.1 1 1014 113 113 GLU CG C 36.331 0.1 1 1015 113 113 GLU N N 119.886 0.2 1 1016 114 114 GLU H H 8.857 0.05 1 1017 114 114 GLU HA H 4.043 0.05 1 1018 114 114 GLU HB2 H 1.975 0.05 2 1019 114 114 GLU HB3 H 2.113 0.05 2 1020 114 114 GLU HG2 H 2.275 0.05 2 1021 114 114 GLU C C 176.440 0.1 1 1022 114 114 GLU CA C 58.542 0.1 1 1023 114 114 GLU CB C 29.657 0.1 1 1024 114 114 GLU CG C 36.530 0.1 1 1025 114 114 GLU N N 120.656 0.2 1 1026 115 115 ASP H H 8.597 0.05 1 1027 115 115 ASP HA H 4.859 0.05 1 1028 115 115 ASP HB2 H 2.663 0.05 2 1029 115 115 ASP HB3 H 2.842 0.05 2 1030 115 115 ASP C C 174.671 0.1 1 1031 115 115 ASP CA C 53.931 0.1 1 1032 115 115 ASP CB C 41.057 0.1 1 1033 115 115 ASP N N 118.775 0.2 1 1034 116 116 LEU H H 7.528 0.05 1 1035 116 116 LEU HA H 5.178 0.05 1 1036 116 116 LEU HB2 H 1.247 0.05 2 1037 116 116 LEU HB3 H 1.656 0.05 2 1038 116 116 LEU HG H 1.562 0.05 1 1039 116 116 LEU HD1 H 0.774 0.05 2 1040 116 116 LEU HD2 H 0.835 0.05 2 1041 116 116 LEU C C 176.806 0.1 1 1042 116 116 LEU CA C 53.604 0.1 1 1043 116 116 LEU CB C 45.170 0.1 1 1044 116 116 LEU CG C 26.722 0.1 1 1045 116 116 LEU CD1 C 23.247 0.1 2 1046 116 116 LEU CD2 C 25.875 0.1 2 1047 116 116 LEU N N 119.418 0.2 1 1048 117 117 VAL H H 9.424 0.05 1 1049 117 117 VAL HA H 4.553 0.05 1 1050 117 117 VAL HB H 2.207 0.05 1 1051 117 117 VAL HG1 H 0.564 0.05 2 1052 117 117 VAL HG2 H 0.913 0.05 2 1053 117 117 VAL CA C 60.106 0.1 1 1054 117 117 VAL CB C 34.220 0.1 1 1055 117 117 VAL CG1 C 21.877 0.1 2 1056 117 117 VAL CG2 C 19.248 0.1 2 1057 117 117 VAL N N 116.590 0.2 1 1058 118 118 GLU H H 7.786 0.05 1 1059 118 118 GLU HA H 3.986 0.05 1 1060 118 118 GLU HB2 H 2.119 0.05 2 1061 118 118 GLU HG3 H 2.526 0.05 2 1062 118 118 GLU C C 179.347 0.1 1 1063 118 118 GLU CA C 59.166 0.1 1 1064 118 118 GLU CB C 29.614 0.1 1 1065 118 118 GLU CG C 36.130 0.1 1 1066 119 119 PHE H H 8.270 0.05 1 1067 119 119 PHE HA H 4.360 0.05 1 1068 119 119 PHE HB2 H 2.826 0.05 2 1069 119 119 PHE HD1 H 6.558 0.05 3 1070 119 119 PHE HD2 H 6.558 0.05 3 1071 119 119 PHE HE1 H 6.840 0.05 3 1072 119 119 PHE HE2 H 6.840 0.05 3 1073 119 119 PHE HZ H 7.204 0.05 1 1074 119 119 PHE CA C 61.857 0.1 1 1075 119 119 PHE CB C 38.990 0.1 1 1076 119 119 PHE N N 120.005 0.2 1 1077 120 120 LEU H H 8.410 0.05 1 1078 120 120 LEU HA H 3.454 0.05 1 1079 120 120 LEU HB2 H 1.425 0.05 2 1080 120 120 LEU HB3 H 1.527 0.05 2 1081 120 120 LEU HG H 1.298 0.05 1 1082 120 120 LEU HD1 H 0.739 0.05 2 1083 120 120 LEU HD2 H 0.773 0.05 2 1084 120 120 LEU C C 177.790 0.1 1 1085 120 120 LEU CA C 59.306 0.1 1 1086 120 120 LEU CB C 41.126 0.1 1 1087 120 120 LEU CG C 27.645 0.1 1 1088 120 120 LEU CD1 C 24.039 0.1 2 1089 120 120 LEU CD2 C 25.416 0.1 2 1090 121 121 GLU H H 7.757 0.05 1 1091 121 121 GLU HA H 3.626 0.05 1 1092 121 121 GLU HB2 H 1.654 0.05 2 1093 121 121 GLU HB3 H 2.392 0.05 2 1094 121 121 GLU HG2 H 2.301 0.05 2 1095 121 121 GLU C C 178.115 0.1 1 1096 121 121 GLU CA C 60.296 0.1 1 1097 121 121 GLU CB C 29.202 0.1 1 1098 121 121 GLU CG C 37.715 0.1 1 1099 121 121 GLU N N 116.214 0.2 1 1100 122 122 PHE H H 8.613 0.05 1 1101 122 122 PHE HA H 4.030 0.05 1 1102 122 122 PHE HB2 H 2.890 0.05 2 1103 122 122 PHE HD1 H 6.163 0.05 3 1104 122 122 PHE HD2 H 6.163 0.05 3 1105 122 122 PHE HE1 H 6.567 0.05 3 1106 122 122 PHE HE2 H 6.567 0.05 3 1107 122 122 PHE HZ H 7.830 0.05 1 1108 122 122 PHE CA C 61.832 0.1 1 1109 122 122 PHE CB C 39.512 0.1 1 1110 122 122 PHE N N 119.988 0.2 1 1111 123 123 ARG H H 8.377 0.05 1 1112 123 123 ARG HB2 H 1.970 0.05 2 1113 123 123 ARG C C 178.597 0.1 1 1114 123 123 ARG CA C 60.801 0.1 1 1115 123 123 ARG CB C 30.426 0.1 1 1116 124 124 LEU H H 7.590 0.05 1 1117 124 124 LEU HA H 3.836 0.05 1 1118 124 124 LEU HB2 H 1.162 0.05 2 1119 124 124 LEU HB3 H 1.959 0.05 2 1120 124 124 LEU HG H 1.773 0.05 1 1121 124 124 LEU HD1 H 0.673 0.05 2 1122 124 124 LEU HD2 H 0.749 0.05 2 1123 124 124 LEU C C 178.610 0.1 1 1124 124 124 LEU CA C 58.174 0.1 1 1125 124 124 LEU CB C 41.400 0.1 1 1126 124 124 LEU CG C 26.638 0.1 1 1127 124 124 LEU CD1 C 21.507 0.1 2 1128 124 124 LEU CD2 C 25.588 0.1 2 1129 124 124 LEU N N 118.600 0.2 1 1130 125 125 MET H H 8.476 0.05 1 1131 125 125 MET HA H 3.637 0.05 1 1132 125 125 MET HB2 H 1.971 0.05 2 1133 125 125 MET HG2 H 2.468 0.05 2 1134 125 125 MET HE H 1.838 0.05 1 1135 125 125 MET C C 177.784 0.1 1 1136 125 125 MET CA C 59.529 0.1 1 1137 125 125 MET CB C 32.804 0.1 1 1138 125 125 MET CG C 31.710 0.1 1 1139 125 125 MET CE C 17.812 0.1 1 1140 125 125 MET N N 119.509 0.2 1 1141 126 126 LEU H H 7.804 0.05 1 1142 126 126 LEU HA H 3.603 0.05 1 1143 126 126 LEU HB2 H 1.014 0.05 2 1144 126 126 LEU HB3 H 1.703 0.05 2 1145 126 126 LEU HG H 0.423 0.05 1 1146 126 126 LEU HD1 H 0.291 0.05 2 1147 126 126 LEU HD2 H 1.052 0.05 2 1148 126 126 LEU C C 178.808 0.1 1 1149 126 126 LEU CA C 57.758 0.1 1 1150 126 126 LEU CB C 41.039 0.1 1 1151 126 126 LEU CG C 26.335 0.1 1 1152 126 126 LEU CD1 C 20.812 0.1 2 1153 126 126 LEU CD2 C 21.410 0.1 2 1154 126 126 LEU N N 116.672 0.2 1 1155 127 127 CYS H H 7.400 0.05 1 1156 127 127 CYS HA H 3.728 0.05 1 1157 127 127 CYS HB2 H 2.374 0.05 2 1158 127 127 CYS HB3 H 3.071 0.05 2 1159 127 127 CYS C C 174.259 0.1 1 1160 127 127 CYS CA C 64.166 0.1 1 1161 127 127 CYS CB C 26.848 0.1 1 1162 127 127 CYS N N 115.699 0.2 1 1163 128 128 TYR H H 7.993 0.05 1 1164 128 128 TYR HA H 3.778 0.05 1 1165 128 128 TYR HB2 H 2.688 0.05 2 1166 128 128 TYR HB3 H 3.250 0.05 2 1167 128 128 TYR HD1 H 6.636 0.05 3 1168 128 128 TYR HD2 H 6.636 0.05 3 1169 128 128 TYR HE1 H 7.712 0.05 3 1170 128 128 TYR HE2 H 7.712 0.05 3 1171 128 128 TYR C C 176.499 0.1 1 1172 128 128 TYR CA C 61.109 0.1 1 1173 128 128 TYR CB C 38.329 0.1 1 1174 128 128 TYR N N 119.395 0.2 1 1175 129 129 ILE H H 7.959 0.05 1 1176 129 129 ILE HA H 3.066 0.05 1 1177 129 129 ILE HB H 1.422 0.05 1 1178 129 129 ILE HG12 H 0.512 0.05 2 1179 129 129 ILE HG13 H 1.845 0.05 2 1180 129 129 ILE HG2 H -0.015 0.05 1 1181 129 129 ILE HD1 H 0.581 0.05 1 1182 129 129 ILE C C 175.675 0.1 1 1183 129 129 ILE CA C 65.554 0.1 1 1184 129 129 ILE CB C 38.260 0.1 1 1185 129 129 ILE CG1 C 29.623 0.1 1 1186 129 129 ILE CG2 C 16.525 0.1 1 1187 129 129 ILE CD1 C 13.659 0.1 1 1188 129 129 ILE N N 116.584 0.2 1 1189 130 130 TYR H H 8.118 0.05 1 1190 130 130 TYR HA H 3.614 0.05 1 1191 130 130 TYR HB2 H 2.858 0.05 2 1192 130 130 TYR HB3 H 3.327 0.05 2 1193 130 130 TYR HD1 H 7.150 0.05 3 1194 130 130 TYR HD2 H 7.150 0.05 3 1195 130 130 TYR HE1 H 7.359 0.05 3 1196 130 130 TYR HE2 H 7.359 0.05 3 1197 130 130 TYR C C 176.525 0.1 1 1198 130 130 TYR CA C 62.619 0.1 1 1199 130 130 TYR CB C 39.506 0.1 1 1200 130 130 TYR N N 118.085 0.2 1 1201 131 131 ASP H H 8.757 0.05 1 1202 131 131 ASP HA H 4.717 0.05 1 1203 131 131 ASP HB2 H 2.914 0.05 2 1204 131 131 ASP HB3 H 2.630 0.05 2 1205 131 131 ASP C C 178.733 0.1 1 1206 131 131 ASP CA C 58.174 0.1 1 1207 131 131 ASP CB C 40.538 0.1 1 1208 131 131 ASP N N 119.001 0.2 1 1209 132 132 ILE H H 8.677 0.05 1 1210 132 132 ILE HA H 3.816 0.05 1 1211 132 132 ILE HB H 1.833 0.05 1 1212 132 132 ILE HG12 H 1.251 0.05 2 1213 132 132 ILE HG13 H 1.325 0.05 2 1214 132 132 ILE HG2 H 1.066 0.05 1 1215 132 132 ILE HD1 H 0.649 0.05 1 1216 132 132 ILE C C 179.817 0.1 1 1217 132 132 ILE CA C 63.725 0.1 1 1218 132 132 ILE CB C 36.672 0.1 1 1219 132 132 ILE CG1 C 30.066 0.1 1 1220 132 132 ILE CG2 C 17.700 0.1 1 1221 132 132 ILE CD1 C 12.274 0.1 1 1222 132 132 ILE N N 121.059 0.2 1 1223 133 133 PHE H H 8.423 0.05 1 1224 133 133 PHE HA H 4.104 0.05 1 1225 133 133 PHE HB2 H 1.850 0.05 2 1226 133 133 PHE HB3 H 3.056 0.05 2 1227 133 133 PHE HD1 H 6.419 0.05 3 1228 133 133 PHE HD2 H 6.419 0.05 3 1229 133 133 PHE HE1 H 6.710 0.05 3 1230 133 133 PHE HE2 H 6.710 0.05 3 1231 133 133 PHE HZ H 7.115 0.05 1 1232 133 133 PHE C C 176.752 0.1 1 1233 133 133 PHE CA C 58.208 0.1 1 1234 133 133 PHE CB C 36.394 0.1 1 1235 133 133 PHE N N 126.340 0.2 1 1236 134 134 GLU H H 8.858 0.05 1 1237 134 134 GLU HA H 4.022 0.05 1 1238 134 134 GLU HB2 H 2.169 0.05 2 1239 134 134 GLU HB3 H 2.492 0.05 2 1240 134 134 GLU HG2 H 2.403 0.05 2 1241 134 134 GLU C C 179.401 0.1 1 1242 134 134 GLU CA C 60.223 0.1 1 1243 134 134 GLU CB C 28.914 0.1 1 1244 134 134 GLU CG C 37.650 0.1 1 1245 134 134 GLU N N 122.341 0.2 1 1246 135 135 LEU H H 8.462 0.05 1 1247 135 135 LEU HA H 3.789 0.05 1 1248 135 135 LEU HB2 H 1.488 0.05 2 1249 135 135 LEU HB3 H 1.588 0.05 2 1250 135 135 LEU HG H 1.457 0.05 1 1251 135 135 LEU HD1 H 0.101 0.05 2 1252 135 135 LEU HD2 H 0.061 0.05 2 1253 135 135 LEU C C 178.908 0.1 1 1254 135 135 LEU CA C 57.502 0.1 1 1255 135 135 LEU CB C 42.308 0.1 1 1256 135 135 LEU CG C 26.295 0.1 1 1257 135 135 LEU CD1 C 24.664 0.1 2 1258 135 135 LEU CD2 C 24.985 0.1 2 1259 135 135 LEU N N 119.028 0.2 1 1260 136 136 THR H H 7.888 0.05 1 1261 136 136 THR HA H 3.896 0.05 1 1262 136 136 THR HB H 4.752 0.05 1 1263 136 136 THR HG2 H 1.116 0.05 1 1264 136 136 THR C C 176.233 0.1 1 1265 136 136 THR CA C 67.863 0.1 1 1266 136 136 THR CB C 68.442 0.1 1 1267 136 136 THR CG2 C 20.638 0.1 1 1268 136 136 THR N N 115.897 0.2 1 1269 137 137 VAL H H 7.751 0.05 1 1270 137 137 VAL HA H 3.631 0.05 1 1271 137 137 VAL HB H 1.750 0.05 1 1272 137 137 VAL HG1 H 0.844 0.05 2 1273 137 137 VAL HG2 H 0.676 0.05 2 1274 137 137 VAL CA C 66.323 0.1 1 1275 137 137 VAL CB C 31.475 0.1 1 1276 137 137 VAL CG1 C 21.167 0.1 2 1277 137 137 VAL CG2 C 21.718 0.1 2 1278 137 137 VAL N N 120.841 0.2 1 1279 138 138 MET H H 8.269 0.05 1 1280 138 138 MET HA H 3.825 0.05 1 1281 138 138 MET HB2 H 1.822 0.05 2 1282 138 138 MET HB3 H 2.063 0.05 2 1283 138 138 MET HG2 H 2.380 0.05 2 1284 138 138 MET HG3 H 2.040 0.05 2 1285 138 138 MET HE H 1.508 0.05 1 1286 138 138 MET C C 178.151 0.1 1 1287 138 138 MET CA C 58.975 0.1 1 1288 138 138 MET CB C 33.838 0.1 1 1289 138 138 MET CG C 30.549 0.1 1 1290 138 138 MET CE C 15.319 0.1 1 1291 139 139 PHE H H 8.004 0.05 1 1292 139 139 PHE HA H 4.312 0.05 1 1293 139 139 PHE HB2 H 2.868 0.05 2 1294 139 139 PHE HB3 H 3.097 0.05 2 1295 139 139 PHE HD1 H 7.088 0.05 3 1296 139 139 PHE HD2 H 7.088 0.05 3 1297 139 139 PHE HE1 H 7.457 0.05 3 1298 139 139 PHE HE2 H 7.457 0.05 3 1299 139 139 PHE HZ H 6.799 0.05 1 1300 139 139 PHE C C 175.942 0.1 1 1301 139 139 PHE CA C 59.701 0.1 1 1302 139 139 PHE CB C 39.162 0.1 1 1303 139 139 PHE N N 117.065 0.2 1 1304 140 140 ASP H H 7.862 0.05 1 1305 140 140 ASP HA H 4.443 0.05 1 1306 140 140 ASP HB2 H 2.711 0.05 2 1307 140 140 ASP C C 177.469 0.1 1 1308 140 140 ASP CA C 55.810 0.1 1 1309 140 140 ASP CB C 40.925 0.1 1 1310 140 140 ASP N N 121.854 0.2 1 1311 141 141 THR H H 7.775 0.05 1 1312 141 141 THR HA H 4.229 0.05 1 1313 141 141 THR HB H 4.226 0.05 1 1314 141 141 THR HG2 H 0.988 0.05 1 1315 141 141 THR C C 175.148 0.1 1 1316 141 141 THR CA C 62.221 0.1 1 1317 141 141 THR CB C 69.319 0.1 1 1318 141 141 THR CG2 C 21.615 0.1 1 1319 141 141 THR N N 110.650 0.2 1 1320 142 142 MET H H 7.910 0.05 1 1321 142 142 MET HA H 4.226 0.05 1 1322 142 142 MET HB2 H 1.914 0.05 2 1323 142 142 MET HG2 H 2.414 0.05 2 1324 142 142 MET HE H 1.830 0.05 1 1325 142 142 MET C C 175.621 0.1 1 1326 142 142 MET CA C 56.545 0.1 1 1327 142 142 MET CB C 33.042 0.1 1 1328 142 142 MET CG C 32.034 0.1 1 1329 142 142 MET CE C 16.923 0.1 1 1330 142 142 MET N N 120.492 0.2 1 1331 143 143 ASP H H 8.041 0.05 1 1332 143 143 ASP HA H 4.457 0.05 1 1333 143 143 ASP HB2 H 2.505 0.05 2 1334 143 143 ASP HB3 H 2.683 0.05 2 1335 143 143 ASP C C 175.883 0.1 1 1336 143 143 ASP CA C 54.546 0.1 1 1337 143 143 ASP CB C 40.750 0.1 1 1338 143 143 ASP N N 118.813 0.2 1 1339 144 144 LYS H H 7.983 0.05 1 1340 144 144 LYS HA H 4.299 0.05 1 1341 144 144 LYS HB2 H 1.670 0.05 2 1342 144 144 LYS HG2 H 1.308 0.05 2 1343 144 144 LYS HE2 H 2.914 0.05 2 1344 144 144 LYS C C 176.293 0.1 1 1345 144 144 LYS CA C 56.169 0.1 1 1346 144 144 LYS CB C 33.022 0.1 1 1347 144 144 LYS CG C 24.440 0.1 1 1348 144 144 LYS CD C 28.992 0.1 1 1349 144 144 LYS CE C 42.131 0.1 1 1350 144 144 LYS N N 120.716 0.2 1 1351 145 145 ASP H H 8.342 0.05 1 1352 145 145 ASP HA H 4.529 0.05 1 1353 145 145 ASP HB2 H 2.656 0.05 2 1354 145 145 ASP C C 176.614 0.1 1 1355 145 145 ASP CA C 54.383 0.1 1 1356 145 145 ASP CB C 41.295 0.1 1 1357 145 145 ASP N N 120.319 0.2 1 1358 146 146 GLY H H 8.326 0.05 1 1359 146 146 GLY HA2 H 3.928 0.05 2 1360 146 146 GLY C C 174.177 0.1 1 1361 146 146 GLY CA C 45.383 0.1 1 1362 146 146 GLY N N 109.317 0.2 1 1363 147 147 SER H H 8.183 0.05 1 1364 147 147 SER HA H 4.355 0.05 1 1365 147 147 SER HB2 H 3.809 0.05 2 1366 147 147 SER C C 174.192 0.1 1 1367 147 147 SER CA C 58.554 0.1 1 1368 147 147 SER CB C 63.992 0.1 1 1369 147 147 SER N N 115.699 0.2 1 1370 148 148 LEU H H 8.426 0.05 1 1371 148 148 LEU HA H 4.228 0.05 1 1372 148 148 LEU HB2 H 1.686 0.05 2 1373 148 148 LEU HG H 1.957 0.05 1 1374 148 148 LEU HD1 H 0.872 0.05 2 1375 148 148 LEU HD2 H 0.757 0.05 2 1376 148 148 LEU C C 175.497 0.1 1 1377 148 148 LEU CA C 56.007 0.1 1 1378 148 148 LEU CB C 42.052 0.1 1 1379 148 148 LEU CG C 27.536 0.1 1 1380 148 148 LEU CD1 C 24.772 0.1 2 1381 148 148 LEU CD2 C 24.687 0.1 2 1382 148 148 LEU N N 123.698 0.2 1 1383 149 149 LEU H H 8.007 0.05 1 1384 149 149 LEU HA H 4.827 0.05 1 1385 149 149 LEU HB2 H 1.233 0.05 2 1386 149 149 LEU HB3 H 1.625 0.05 2 1387 149 149 LEU HG H 1.581 0.05 1 1388 149 149 LEU HD1 H 0.764 0.05 2 1389 149 149 LEU HD2 H 0.828 0.05 2 1390 149 149 LEU C C 176.105 0.1 1 1391 149 149 LEU CA C 53.915 0.1 1 1392 149 149 LEU CB C 43.990 0.1 1 1393 149 149 LEU CG C 26.626 0.1 1 1394 149 149 LEU CD1 C 23.640 0.1 2 1395 149 149 LEU CD2 C 25.140 0.1 2 1396 149 149 LEU N N 122.721 0.2 1 1397 150 150 LEU H H 9.223 0.05 1 1398 150 150 LEU HA H 4.668 0.05 1 1399 150 150 LEU HB2 H 1.446 0.05 2 1400 150 150 LEU HG H 1.428 0.05 1 1401 150 150 LEU HD1 H 0.295 0.05 2 1402 150 150 LEU HD2 H 0.467 0.05 2 1403 150 150 LEU C C 177.066 0.1 1 1404 150 150 LEU CA C 55.322 0.1 1 1405 150 150 LEU CB C 44.426 0.1 1 1406 150 150 LEU CG C 27.796 0.1 1 1407 150 150 LEU CD1 C 25.160 0.1 2 1408 150 150 LEU CD2 C 24.967 0.1 2 1409 150 150 LEU N N 122.599 0.2 1 1410 151 151 GLU H H 8.388 0.05 1 1411 151 151 GLU HA H 4.956 0.05 1 1412 151 151 GLU HB2 H 2.118 0.05 2 1413 151 151 GLU HG2 H 2.319 0.05 2 1414 151 151 GLU HG3 H 2.413 0.05 2 1415 151 151 GLU CA C 54.716 0.1 1 1416 151 151 GLU CB C 31.452 0.1 1 1417 151 151 GLU CG C 37.294 0.1 1 1418 151 151 GLU N N 121.240 0.2 1 1419 152 152 LEU H H 8.324 0.05 1 1420 152 152 LEU HA H 2.953 0.05 1 1421 152 152 LEU HB2 H 0.712 0.05 2 1422 152 152 LEU HB3 H 1.390 0.05 2 1423 152 152 LEU HG H 1.635 0.05 1 1424 152 152 LEU HD1 H 0.502 0.05 2 1425 152 152 LEU HD2 H 1.631 0.05 2 1426 152 152 LEU C C 178.199 0.1 1 1427 152 152 LEU CA C 58.529 0.1 1 1428 152 152 LEU CB C 40.694 0.1 1 1429 152 152 LEU CG C 26.893 0.1 1 1430 152 152 LEU CD1 C 22.936 0.1 2 1431 152 152 LEU CD2 C 25.567 0.1 2 1432 153 153 GLN H H 8.550 0.05 1 1433 153 153 GLN HA H 3.800 0.05 1 1434 153 153 GLN HB2 H 1.848 0.05 2 1435 153 153 GLN HB3 H 2.069 0.05 2 1436 153 153 GLN HG2 H 2.270 0.05 2 1437 153 153 GLN HG3 H 2.352 0.05 2 1438 153 153 GLN HE21 H 6.792 0.05 2 1439 153 153 GLN HE22 H 7.819 0.05 2 1440 153 153 GLN C C 177.829 0.1 1 1441 153 153 GLN CA C 59.317 0.1 1 1442 153 153 GLN CB C 27.443 0.1 1 1443 153 153 GLN CG C 32.835 0.1 1 1444 153 153 GLN N N 115.800 0.2 1 1445 153 153 GLN NE2 N 113.050 0.2 1 1446 154 154 GLU H H 7.324 0.05 1 1447 154 154 GLU HA H 3.988 0.05 1 1448 154 154 GLU HB2 H 1.877 0.05 2 1449 154 154 GLU HG2 H 2.249 0.05 2 1450 154 154 GLU HG3 H 2.456 0.05 2 1451 154 154 GLU C C 179.002 0.1 1 1452 154 154 GLU CA C 59.732 0.1 1 1453 154 154 GLU CB C 29.832 0.1 1 1454 154 154 GLU CG C 37.474 0.1 1 1455 154 154 GLU N N 118.178 0.2 1 1456 155 155 PHE H H 8.224 0.05 1 1457 155 155 PHE HA H 3.940 0.05 1 1458 155 155 PHE HB2 H 2.788 0.05 2 1459 155 155 PHE HB3 H 3.188 0.05 2 1460 155 155 PHE HD1 H 6.390 0.05 3 1461 155 155 PHE HD2 H 6.390 0.05 3 1462 155 155 PHE HE1 H 6.857 0.05 3 1463 155 155 PHE HE2 H 6.857 0.05 3 1464 155 155 PHE HZ H 7.158 0.05 1 1465 155 155 PHE C C 176.519 0.1 1 1466 155 155 PHE CA C 61.300 0.1 1 1467 155 155 PHE CB C 39.555 0.1 1 1468 155 155 PHE N N 121.680 0.2 1 1469 156 156 LYS H H 8.569 0.05 1 1470 156 156 LYS HA H 3.599 0.05 1 1471 156 156 LYS HB2 H 1.808 0.05 2 1472 156 156 LYS HG2 H 1.553 0.05 2 1473 156 156 LYS HE2 H 2.742 0.05 2 1474 156 156 LYS C C 180.245 0.1 1 1475 156 156 LYS CA C 60.267 0.1 1 1476 156 156 LYS CB C 32.346 0.1 1 1477 156 156 LYS CG C 26.488 0.1 1 1478 156 156 LYS CD C 29.773 0.1 1 1479 156 156 LYS CE C 41.602 0.1 1 1480 156 156 LYS N N 116.632 0.2 1 1481 157 157 GLU H H 7.685 0.05 1 1482 157 157 GLU HA H 3.984 0.05 1 1483 157 157 GLU HB2 H 2.068 0.05 2 1484 157 157 GLU HG2 H 2.501 0.05 2 1485 157 157 GLU C C 177.323 0.1 1 1486 157 157 GLU CA C 58.304 0.1 1 1487 157 157 GLU CB C 29.388 0.1 1 1488 157 157 GLU CG C 36.512 0.1 1 1489 157 157 GLU N N 117.593 0.2 1 1490 158 158 ALA H H 7.539 0.05 1 1491 158 158 ALA HA H 4.336 0.05 1 1492 158 158 ALA HB H 1.408 0.05 1 1493 158 158 ALA C C 178.136 0.1 1 1494 158 158 ALA CA C 52.769 0.1 1 1495 158 158 ALA CB C 18.673 0.1 1 1496 158 158 ALA N N 120.359 0.2 1 1497 159 159 LEU H H 7.240 0.05 1 1498 159 159 LEU HA H 4.075 0.05 1 1499 159 159 LEU HB2 H 1.922 0.05 2 1500 159 159 LEU HG H 1.546 0.05 1 1501 159 159 LEU HD1 H 0.489 0.05 2 1502 159 159 LEU HD2 H 0.742 0.05 2 1503 159 159 LEU CA C 59.859 0.1 1 1504 159 159 LEU CB C 38.226 0.1 1 1505 159 159 LEU CD1 C 22.480 0.1 2 1506 159 159 LEU CD2 C 25.282 0.1 2 1507 159 159 LEU N N 117.471 0.2 1 1508 160 160 PRO HA H 4.337 0.05 1 1509 160 160 PRO HB2 H 1.881 0.05 2 1510 160 160 PRO HB3 H 2.366 0.05 2 1511 160 160 PRO HG2 H 2.110 0.05 2 1512 160 160 PRO HD2 H 3.811 0.05 2 1513 160 160 PRO C C 179.792 0.1 1 1514 160 160 PRO CA C 66.458 0.1 1 1515 160 160 PRO CB C 31.170 0.1 1 1516 160 160 PRO CG C 28.180 0.1 1 1517 160 160 PRO CD C 50.425 0.1 1 1518 161 161 LYS H H 7.448 0.05 1 1519 161 161 LYS HA H 4.121 0.05 1 1520 161 161 LYS HB2 H 1.798 0.05 2 1521 161 161 LYS HE2 H 2.737 0.05 2 1522 161 161 LYS HZ H 7.063 0.05 1 1523 161 161 LYS C C 179.477 0.1 1 1524 161 161 LYS CA C 58.857 0.1 1 1525 161 161 LYS CB C 31.926 0.1 1 1526 161 161 LYS CG C 25.520 0.1 1 1527 161 161 LYS CD C 28.863 0.1 1 1528 161 161 LYS N N 117.808 0.2 1 1529 162 162 LEU H H 8.145 0.05 1 1530 162 162 LEU HA H 4.220 0.05 1 1531 162 162 LEU HB2 H 1.937 0.05 2 1532 162 162 LEU HB3 H 2.080 0.05 2 1533 162 162 LEU HD1 H 0.878 0.05 2 1534 162 162 LEU HD2 H 1.001 0.05 2 1535 162 162 LEU CA C 57.955 0.1 1 1536 162 162 LEU CB C 41.356 0.1 1 1537 162 162 LEU CG C 27.808 0.1 1 1538 162 162 LEU CD1 C 23.715 0.1 2 1539 162 162 LEU CD2 C 25.897 0.1 2 1540 162 162 LEU N N 119.626 0.2 1 1541 163 163 LYS H H 8.434 0.05 1 1542 163 163 LYS HA H 3.840 0.05 1 1543 163 163 LYS HB2 H 2.032 0.05 2 1544 163 163 LYS HG2 H 1.648 0.05 2 1545 163 163 LYS HE2 H 2.766 0.05 2 1546 163 163 LYS C C 178.603 0.1 1 1547 163 163 LYS CA C 60.222 0.1 1 1548 163 163 LYS CB C 32.136 0.1 1 1549 163 163 LYS CG C 25.054 0.1 1 1550 163 163 LYS CD C 29.362 0.1 1 1551 163 163 LYS CE C 42.149 0.1 1 1552 163 163 LYS N N 121.271 0.2 1 1553 164 164 GLU H H 7.613 0.05 1 1554 164 164 GLU HA H 4.031 0.05 1 1555 164 164 GLU HB2 H 2.153 0.05 2 1556 164 164 GLU HG2 H 2.412 0.05 2 1557 164 164 GLU C C 177.016 0.1 1 1558 164 164 GLU CA C 58.927 0.1 1 1559 164 164 GLU CB C 29.456 0.1 1 1560 164 164 GLU CG C 36.231 0.1 1 1561 164 164 GLU N N 120.291 0.2 1 1562 165 165 TRP H H 7.643 0.05 1 1563 165 165 TRP HA H 4.481 0.05 1 1564 165 165 TRP HB2 H 3.168 0.05 2 1565 165 165 TRP HB3 H 3.610 0.05 2 1566 165 165 TRP HD1 H 7.283 0.05 1 1567 165 165 TRP HE1 H 10.533 0.05 1 1568 165 165 TRP HE3 H 6.770 0.05 1 1569 165 165 TRP HZ2 H 7.486 0.05 1 1570 165 165 TRP HZ3 H 7.495 0.05 1 1571 165 165 TRP HH2 H 6.667 0.05 1 1572 165 165 TRP C C 174.689 0.1 1 1573 165 165 TRP CA C 58.158 0.1 1 1574 165 165 TRP CB C 29.631 0.1 1 1575 165 165 TRP N N 120.009 0.2 1 1576 165 165 TRP NE1 N 130.853 0.2 1 1577 166 166 GLY H H 7.495 0.05 1 1578 166 166 GLY HA2 H 3.497 0.05 2 1579 166 166 GLY HA3 H 4.154 0.05 2 1580 166 166 GLY C C 173.958 0.1 1 1581 166 166 GLY CA C 44.539 0.1 1 1582 166 166 GLY N N 102.711 0.2 1 1583 167 167 VAL H H 8.357 0.05 1 1584 167 167 VAL HA H 4.030 0.05 1 1585 167 167 VAL HB H 1.983 0.05 1 1586 167 167 VAL HG1 H 0.807 0.05 2 1587 167 167 VAL HG2 H 1.372 0.05 2 1588 167 167 VAL C C 172.752 0.1 1 1589 167 167 VAL CA C 61.955 0.1 1 1590 167 167 VAL CB C 33.670 0.1 1 1591 167 167 VAL CG1 C 21.115 0.1 2 1592 167 167 VAL CG2 C 19.536 0.1 2 1593 167 167 VAL N N 122.239 0.2 1 1594 168 168 ASP H H 8.552 0.05 1 1595 168 168 ASP HA H 4.503 0.05 1 1596 168 168 ASP HB2 H 2.438 0.05 2 1597 168 168 ASP HB3 H 2.745 0.05 2 1598 168 168 ASP C C 175.161 0.1 1 1599 168 168 ASP CA C 53.513 0.1 1 1600 168 168 ASP CB C 41.594 0.1 1 1601 168 168 ASP N N 127.649 0.2 1 1602 169 169 ILE H H 8.188 0.05 1 1603 169 169 ILE HA H 4.380 0.05 1 1604 169 169 ILE HB H 2.067 0.05 1 1605 169 169 ILE HG12 H 1.421 0.05 2 1606 169 169 ILE HG13 H 1.587 0.05 2 1607 169 169 ILE HG2 H 0.880 0.05 1 1608 169 169 ILE HD1 H 1.026 0.05 1 1609 169 169 ILE C C 175.564 0.1 1 1610 169 169 ILE CA C 59.539 0.1 1 1611 169 169 ILE CB C 39.000 0.1 1 1612 169 169 ILE CG1 C 27.350 0.1 1 1613 169 169 ILE CG2 C 17.851 0.1 1 1614 169 169 ILE CD1 C 13.562 0.1 1 1615 169 169 ILE N N 125.867 0.2 1 1616 170 170 THR H H 8.432 0.05 1 1617 170 170 THR HA H 4.237 0.05 1 1618 170 170 THR HB H 4.304 0.05 1 1619 170 170 THR HG2 H 1.147 0.05 1 1620 170 170 THR C C 174.532 0.1 1 1621 170 170 THR CA C 62.896 0.1 1 1622 170 170 THR CB C 69.329 0.1 1 1623 170 170 THR CG2 C 21.745 0.1 1 1624 170 170 THR N N 118.161 0.2 1 1625 171 171 ASP H H 7.634 0.05 1 1626 171 171 ASP HA H 4.796 0.05 1 1627 171 171 ASP HB2 H 2.543 0.05 2 1628 171 171 ASP HB3 H 2.904 0.05 2 1629 171 171 ASP C C 174.987 0.1 1 1630 171 171 ASP CA C 52.794 0.1 1 1631 171 171 ASP CB C 41.086 0.1 1 1632 171 171 ASP N N 121.342 0.2 1 1633 172 172 ALA H H 8.777 0.05 1 1634 172 172 ALA HA H 3.898 0.05 1 1635 172 172 ALA HB H 1.417 0.05 1 1636 172 172 ALA C C 178.333 0.1 1 1637 172 172 ALA CA C 55.589 0.1 1 1638 172 172 ALA CB C 19.891 0.1 1 1639 172 172 ALA N N 125.630 0.2 1 1640 173 173 THR H H 8.120 0.05 1 1641 173 173 THR HA H 3.746 0.05 1 1642 173 173 THR HB H 4.158 0.05 1 1643 173 173 THR HG2 H 1.179 0.05 1 1644 173 173 THR C C 175.975 0.1 1 1645 173 173 THR CA C 66.826 0.1 1 1646 173 173 THR CB C 68.265 0.1 1 1647 173 173 THR CG2 C 21.950 0.1 1 1648 173 173 THR N N 111.556 0.2 1 1649 174 174 THR H H 7.466 0.05 1 1650 174 174 THR HA H 3.849 0.05 1 1651 174 174 THR HB H 3.960 0.05 1 1652 174 174 THR HG2 H 1.168 0.05 1 1653 174 174 THR C C 176.972 0.1 1 1654 174 174 THR CA C 66.035 0.1 1 1655 174 174 THR CB C 68.210 0.1 1 1656 174 174 THR CG2 C 21.896 0.1 1 1657 174 174 THR N N 117.085 0.2 1 1658 175 175 VAL H H 7.410 0.05 1 1659 175 175 VAL HA H 3.605 0.05 1 1660 175 175 VAL HB H 1.896 0.05 1 1661 175 175 VAL HG1 H 1.153 0.05 2 1662 175 175 VAL HG2 H 0.552 0.05 2 1663 175 175 VAL C C 175.680 0.1 1 1664 175 175 VAL CA C 66.107 0.1 1 1665 175 175 VAL CB C 31.489 0.1 1 1666 175 175 VAL CG1 C 23.706 0.1 2 1667 175 175 VAL CG2 C 22.152 0.1 2 1668 175 175 VAL N N 120.319 0.2 1 1669 176 176 PHE H H 8.369 0.05 1 1670 176 176 PHE HA H 4.654 0.05 1 1671 176 176 PHE HB2 H 2.698 0.05 2 1672 176 176 PHE HB3 H 2.957 0.05 2 1673 176 176 PHE HD1 H 6.388 0.05 3 1674 176 176 PHE HD2 H 6.388 0.05 3 1675 176 176 PHE HE1 H 6.739 0.05 3 1676 176 176 PHE HE2 H 6.739 0.05 3 1677 176 176 PHE HZ H 6.990 0.05 1 1678 176 176 PHE C C 177.074 0.1 1 1679 176 176 PHE CA C 62.286 0.1 1 1680 176 176 PHE CB C 38.977 0.1 1 1681 176 176 PHE N N 121.194 0.2 1 1682 177 177 ASN H H 7.594 0.05 1 1683 177 177 ASN HA H 4.235 0.05 1 1684 177 177 ASN HB2 H 2.766 0.05 2 1685 177 177 ASN HD21 H 6.853 0.05 2 1686 177 177 ASN HD22 H 7.524 0.05 2 1687 177 177 ASN C C 176.115 0.1 1 1688 177 177 ASN CA C 55.396 0.1 1 1689 177 177 ASN CB C 37.981 0.1 1 1690 177 177 ASN N N 113.605 0.2 1 1691 178 178 GLU H H 7.488 0.05 1 1692 178 178 GLU HA H 3.880 0.05 1 1693 178 178 GLU HB2 H 2.094 0.05 2 1694 178 178 GLU HG2 H 2.382 0.05 2 1695 178 178 GLU C C 177.628 0.1 1 1696 178 178 GLU CA C 58.327 0.1 1 1697 178 178 GLU CB C 29.564 0.1 1 1698 178 178 GLU CG C 36.540 0.1 1 1699 178 178 GLU N N 119.017 0.2 1 1700 179 179 ILE H H 7.079 0.05 1 1701 179 179 ILE HA H 3.508 0.05 1 1702 179 179 ILE HB H 1.040 0.05 1 1703 179 179 ILE HG12 H -0.086 0.05 2 1704 179 179 ILE HG13 H 0.947 0.05 2 1705 179 179 ILE HG2 H 0.516 0.05 1 1706 179 179 ILE HD1 H -0.205 0.05 1 1707 179 179 ILE C C 176.921 0.1 1 1708 179 179 ILE CA C 63.275 0.1 1 1709 179 179 ILE CB C 38.378 0.1 1 1710 179 179 ILE CG1 C 26.644 0.1 1 1711 179 179 ILE CG2 C 18.388 0.1 1 1712 179 179 ILE CD1 C 14.162 0.1 1 1713 179 179 ILE N N 118.131 0.2 1 1714 180 180 ASP H H 7.713 0.05 1 1715 180 180 ASP HA H 4.501 0.05 1 1716 180 180 ASP HB2 H 1.607 0.05 2 1717 180 180 ASP HB3 H 2.373 0.05 2 1718 180 180 ASP C C 177.086 0.1 1 1719 180 180 ASP CA C 52.191 0.1 1 1720 180 180 ASP CB C 39.117 0.1 1 1721 180 180 ASP N N 119.336 0.2 1 1722 181 181 THR H H 7.907 0.05 1 1723 181 181 THR HA H 3.926 0.05 1 1724 181 181 THR HG2 H 1.180 0.05 1 1725 181 181 THR C C 176.145 0.1 1 1726 181 181 THR CA C 64.553 0.1 1 1727 181 181 THR CB C 68.826 0.1 1 1728 181 181 THR CG2 C 22.050 0.1 1 1729 181 181 THR N N 116.288 0.2 1 1730 182 182 ASN H H 8.338 0.05 1 1731 182 182 ASN HA H 4.751 0.05 1 1732 182 182 ASN HB2 H 2.812 0.05 2 1733 182 182 ASN C C 176.232 0.1 1 1734 182 182 ASN CA C 52.903 0.1 1 1735 182 182 ASN CB C 38.438 0.1 1 1736 182 182 ASN N N 116.816 0.2 1 1737 183 183 GLY H H 7.868 0.05 1 1738 183 183 GLY HA2 H 3.789 0.05 2 1739 183 183 GLY HA3 H 3.851 0.05 2 1740 183 183 GLY C C 175.582 0.1 1 1741 183 183 GLY CA C 47.358 0.1 1 1742 183 183 GLY N N 111.039 0.2 1 1743 184 184 SER H H 9.339 0.05 1 1744 184 184 SER HA H 4.292 0.05 1 1745 184 184 SER HB2 H 3.776 0.05 2 1746 184 184 SER HB3 H 3.963 0.05 2 1747 184 184 SER C C 176.158 0.1 1 1748 184 184 SER CA C 59.701 0.1 1 1749 184 184 SER CB C 64.828 0.1 1 1750 184 184 SER N N 118.624 0.2 1 1751 185 185 GLY H H 10.853 0.05 1 1752 185 185 GLY HA2 H 4.288 0.05 2 1753 185 185 GLY HA3 H 3.625 0.05 2 1754 185 185 GLY C C 172.690 0.1 1 1755 185 185 GLY CA C 45.342 0.1 1 1756 185 185 GLY N N 115.655 0.2 1 1757 186 186 VAL H H 7.606 0.05 1 1758 186 186 VAL HA H 4.943 0.05 1 1759 186 186 VAL HB H 1.863 0.05 1 1760 186 186 VAL HG1 H 0.774 0.05 2 1761 186 186 VAL HG2 H 0.791 0.05 2 1762 186 186 VAL C C 173.674 0.1 1 1763 186 186 VAL CA C 60.056 0.1 1 1764 186 186 VAL CB C 35.463 0.1 1 1765 186 186 VAL CG1 C 20.548 0.1 2 1766 186 186 VAL CG2 C 21.676 0.1 2 1767 186 186 VAL N N 117.147 0.2 1 1768 187 187 VAL H H 8.654 0.05 1 1769 187 187 VAL HA H 4.653 0.05 1 1770 187 187 VAL HB H 1.948 0.05 1 1771 187 187 VAL HG1 H 0.479 0.05 2 1772 187 187 VAL HG2 H 0.317 0.05 2 1773 187 187 VAL C C 175.166 0.1 1 1774 187 187 VAL CA C 58.456 0.1 1 1775 187 187 VAL CB C 34.912 0.1 1 1776 187 187 VAL CG1 C 19.885 0.1 2 1777 187 187 VAL CG2 C 21.549 0.1 2 1778 187 187 VAL N N 118.141 0.2 1 1779 188 188 THR H H 8.904 0.05 1 1780 188 188 THR HA H 4.827 0.05 1 1781 188 188 THR HB H 4.792 0.05 1 1782 188 188 THR HG2 H 1.245 0.05 1 1783 188 188 THR C C 176.340 0.1 1 1784 188 188 THR CA C 60.424 0.1 1 1785 188 188 THR CB C 71.015 0.1 1 1786 188 188 THR CG2 C 21.775 0.1 1 1787 188 188 THR N N 113.328 0.2 1 1788 189 189 PHE H H 8.888 0.05 1 1789 189 189 PHE HA H 3.969 0.05 1 1790 189 189 PHE HB2 H 3.057 0.05 2 1791 189 189 PHE HD1 H 6.712 0.05 3 1792 189 189 PHE HD2 H 7.908 0.05 3 1793 189 189 PHE HE1 H 6.991 0.05 3 1794 189 189 PHE HE2 H 7.456 0.05 3 1795 189 189 PHE HZ H 6.371 0.05 1 1796 189 189 PHE C C 178.253 0.1 1 1797 189 189 PHE CA C 63.055 0.1 1 1798 189 189 PHE CB C 39.056 0.1 1 1799 189 189 PHE N N 121.851 0.2 1 1800 190 190 ASP H H 8.767 0.05 1 1801 190 190 ASP HA H 4.202 0.05 1 1802 190 190 ASP HB2 H 2.612 0.05 2 1803 190 190 ASP C C 177.770 0.1 1 1804 190 190 ASP CA C 58.213 0.1 1 1805 190 190 ASP CB C 40.660 0.1 1 1806 190 190 ASP N N 120.496 0.2 1 1807 191 191 GLU H H 7.883 0.05 1 1808 191 191 GLU HA H 3.952 0.05 1 1809 191 191 GLU HB2 H 2.293 0.05 2 1810 191 191 GLU HB3 H 2.427 0.05 2 1811 191 191 GLU C C 179.932 0.1 1 1812 191 191 GLU CA C 59.436 0.1 1 1813 191 191 GLU CB C 29.997 0.1 1 1814 191 191 GLU CG C 36.108 0.1 1 1815 191 191 GLU N N 120.414 0.2 1 1816 192 192 PHE H H 8.466 0.05 1 1817 192 192 PHE HA H 4.171 0.05 1 1818 192 192 PHE HB2 H 2.871 0.05 2 1819 192 192 PHE HB3 H 2.957 0.05 2 1820 192 192 PHE HD1 H 6.722 0.05 3 1821 192 192 PHE HD2 H 6.397 0.05 3 1822 192 192 PHE HE1 H 6.975 0.05 3 1823 192 192 PHE HE2 H 6.791 0.05 3 1824 192 192 PHE HZ H 7.105 0.05 1 1825 192 192 PHE C C 175.480 0.1 1 1826 192 192 PHE CA C 60.268 0.1 1 1827 192 192 PHE CB C 39.541 0.1 1 1828 192 192 PHE N N 120.836 0.2 1 1829 193 193 SER H H 8.842 0.05 1 1830 193 193 SER HA H 4.229 0.05 1 1831 193 193 SER HB2 H 3.214 0.05 2 1832 193 193 SER HB3 H 3.425 0.05 2 1833 193 193 SER C C 175.477 0.1 1 1834 193 193 SER CA C 61.245 0.1 1 1835 193 193 SER CB C 62.121 0.1 1 1836 193 193 SER N N 115.736 0.2 1 1837 194 194 CYS H H 7.651 0.05 1 1838 194 194 CYS HA H 3.962 0.05 1 1839 194 194 CYS HB2 H 2.859 0.05 2 1840 194 194 CYS HB3 H 2.976 0.05 2 1841 194 194 CYS C C 177.273 0.1 1 1842 194 194 CYS CA C 63.467 0.1 1 1843 194 194 CYS CB C 26.705 0.1 1 1844 194 194 CYS N N 120.817 0.2 1 1845 195 195 TRP H H 7.602 0.05 1 1846 195 195 TRP HA H 3.962 0.05 1 1847 195 195 TRP HB2 H 3.217 0.05 2 1848 195 195 TRP HB3 H 3.466 0.05 2 1849 195 195 TRP HD1 H 7.162 0.05 1 1850 195 195 TRP HE1 H 10.306 0.05 1 1851 195 195 TRP HE3 H 7.299 0.05 1 1852 195 195 TRP HZ2 H 6.741 0.05 1 1853 195 195 TRP HZ3 H 6.784 0.05 1 1854 195 195 TRP HH2 H 6.939 0.05 1 1855 195 195 TRP C C 177.444 0.1 1 1856 195 195 TRP CA C 62.101 0.1 1 1857 195 195 TRP CB C 28.227 0.1 1 1858 195 195 TRP N N 121.951 0.2 1 1859 195 195 TRP NE1 N 130.123 0.2 1 1860 196 196 ALA H H 8.520 0.05 1 1861 196 196 ALA HA H 3.117 0.05 1 1862 196 196 ALA HB H 1.005 0.05 1 1863 196 196 ALA C C 178.990 0.1 1 1864 196 196 ALA CA C 55.312 0.1 1 1865 196 196 ALA CB C 17.988 0.1 1 1866 196 196 ALA N N 121.782 0.2 1 1867 197 197 VAL H H 8.281 0.05 1 1868 197 197 VAL HA H 3.614 0.05 1 1869 197 197 VAL HB H 1.741 0.05 1 1870 197 197 VAL HG1 H 0.591 0.05 2 1871 197 197 VAL HG2 H 0.832 0.05 2 1872 197 197 VAL C C 177.466 0.1 1 1873 197 197 VAL CA C 66.453 0.1 1 1874 197 197 VAL CB C 31.383 0.1 1 1875 197 197 VAL CG1 C 22.463 0.1 2 1876 197 197 VAL CG2 C 23.728 0.1 2 1877 197 197 VAL N N 116.226 0.2 1 1878 198 198 THR H H 7.470 0.05 1 1879 198 198 THR HA H 4.194 0.05 1 1880 198 198 THR HB H 3.562 0.05 1 1881 198 198 THR HG2 H 1.057 0.05 1 1882 198 198 THR CA C 66.538 0.1 1 1883 198 198 THR CB C 68.202 0.1 1 1884 198 198 THR CG2 C 21.432 0.1 1 1885 198 198 THR N N 116.656 0.2 1 1886 199 199 LYS HA H 3.474 0.05 1 1887 199 199 LYS HB2 H 0.981 0.05 2 1888 199 199 LYS HG2 H 0.642 0.05 2 1889 199 199 LYS HG3 H 0.795 0.05 2 1890 199 199 LYS HD2 H -0.444 0.05 2 1891 199 199 LYS HD3 H 0.415 0.05 2 1892 199 199 LYS HE2 H 2.181 0.05 2 1893 199 199 LYS CA C 60.279 0.1 1 1894 199 199 LYS CG C 26.366 0.1 1 1895 199 199 LYS CD C 28.113 0.1 1 1896 199 199 LYS CE C 42.046 0.1 1 1897 200 200 LYS HA H 4.273 0.05 1 1898 200 200 LYS HB2 H 1.728 0.05 2 1899 200 200 LYS HB3 H 1.810 0.05 2 1900 200 200 LYS HG2 H 1.372 0.05 2 1901 200 200 LYS HD2 H 2.044 0.05 2 1902 200 200 LYS HD3 H 2.138 0.05 2 1903 200 200 LYS HE2 H 2.917 0.05 2 1904 200 200 LYS C C 176.464 0.1 1 1905 200 200 LYS CA C 56.694 0.1 1 1906 200 200 LYS CB C 32.528 0.1 1 1907 200 200 LYS CG C 24.590 0.1 1 1908 200 200 LYS CD C 29.451 0.1 1 1909 200 200 LYS CE C 42.123 0.1 1 1910 201 201 LEU H H 8.175 0.05 1 1911 201 201 LEU HA H 3.929 0.05 1 1912 201 201 LEU HB2 H 1.319 0.05 2 1913 201 201 LEU HB3 H 1.762 0.05 2 1914 201 201 LEU HG H 1.749 0.05 1 1915 201 201 LEU HD1 H 0.668 0.05 2 1916 201 201 LEU HD2 H 0.752 0.05 2 1917 201 201 LEU C C 179.677 0.1 1 1918 201 201 LEU CA C 57.121 0.1 1 1919 201 201 LEU CB C 41.530 0.1 1 1920 201 201 LEU CG C 27.031 0.1 1 1921 201 201 LEU CD1 C 23.953 0.1 2 1922 201 201 LEU CD2 C 25.579 0.1 2 1923 201 201 LEU N N 120.510 0.2 1 1924 202 202 GLN H H 7.781 0.05 1 1925 202 202 GLN HA H 3.890 0.05 1 1926 202 202 GLN HB2 H 1.991 0.05 2 1927 202 202 GLN HB3 H 2.203 0.05 2 1928 202 202 GLN HG2 H 2.518 0.05 2 1929 202 202 GLN HG3 H 2.215 0.05 2 1930 202 202 GLN HE21 H 6.718 0.05 2 1931 202 202 GLN HE22 H 7.140 0.05 2 1932 202 202 GLN C C 177.871 0.1 1 1933 202 202 GLN CA C 58.584 0.1 1 1934 202 202 GLN CB C 28.648 0.1 1 1935 202 202 GLN CG C 34.243 0.1 1 1936 202 202 GLN N N 117.616 0.2 1 1937 202 202 GLN NE2 N 110.887 0.2 1 1938 203 203 VAL H H 7.696 0.05 1 1939 203 203 VAL HA H 3.911 0.05 1 1940 203 203 VAL HB H 2.083 0.05 1 1941 203 203 VAL HG1 H 0.991 0.05 2 1942 203 203 VAL HG2 H 0.946 0.05 2 1943 203 203 VAL C C 177.578 0.1 1 1944 203 203 VAL CA C 64.334 0.1 1 1945 203 203 VAL CB C 32.443 0.1 1 1946 203 203 VAL CG1 C 21.500 0.1 2 1947 203 203 VAL CG2 C 21.122 0.1 2 1948 203 203 VAL N N 116.319 0.2 1 1949 204 204 CYS H H 8.473 0.05 1 1950 204 204 CYS HA H 4.207 0.05 1 1951 204 204 CYS HB2 H 2.800 0.05 2 1952 204 204 CYS HB3 H 2.849 0.05 2 1953 204 204 CYS C C 175.686 0.1 1 1954 204 204 CYS CA C 60.816 0.1 1 1955 204 204 CYS CB C 27.594 0.1 1 1956 204 204 CYS N N 119.071 0.2 1 1957 205 205 GLY H H 7.796 0.05 1 1958 205 205 GLY HA2 H 3.761 0.05 2 1959 205 205 GLY C C 173.843 0.1 1 1960 205 205 GLY CA C 45.139 0.1 1 1961 205 205 GLY N N 108.070 0.2 1 1962 206 206 ASP H H 8.270 0.05 1 1963 206 206 ASP HA H 4.697 0.05 1 1964 206 206 ASP HB2 H 1.825 0.05 2 1965 206 206 ASP HB3 H 2.104 0.05 2 1966 206 206 ASP CA C 56.752 0.1 1 1967 206 206 ASP CB C 41.342 0.1 1 1968 206 206 ASP N N 120.759 0.2 1 1969 207 207 PRO HA H 4.265 0.05 1 1970 207 207 PRO HB2 H 1.516 0.05 2 1971 207 207 PRO HB3 H 1.929 0.05 2 1972 207 207 PRO HD2 H 3.706 0.05 2 1973 207 207 PRO HD3 H 3.905 0.05 2 1974 207 207 PRO C C 176.110 0.1 1 1975 207 207 PRO CA C 64.185 0.1 1 1976 207 207 PRO CB C 31.353 0.1 1 1977 207 207 PRO CG C 26.752 0.1 1 1978 207 207 PRO CD C 50.588 0.1 1 1979 208 208 ASP H H 7.738 0.05 1 1980 208 208 ASP HA H 4.537 0.05 1 1981 208 208 ASP HB2 H 2.353 0.05 2 1982 208 208 ASP HB3 H 2.581 0.05 2 1983 208 208 ASP C C 176.941 0.1 1 1984 208 208 ASP CA C 54.445 0.1 1 1985 208 208 ASP CB C 40.050 0.1 1 1986 208 208 ASP N N 118.200 0.2 1 1987 209 209 GLY H H 7.645 0.05 1 1988 209 209 GLY HA2 H 3.787 0.05 2 1989 209 209 GLY C C 172.352 0.1 1 1990 209 209 GLY CA C 45.665 0.1 1 1991 209 209 GLY N N 107.777 0.2 1 1992 210 210 GLU H H 8.260 0.05 1 1993 210 210 GLU HA H 4.200 0.05 1 1994 210 210 GLU HB2 H 1.883 0.05 2 1995 210 210 GLU HG2 H 2.183 0.05 2 1996 210 210 GLU C C 176.619 0.1 1 1997 210 210 GLU CA C 56.527 0.1 1 1998 210 210 GLU CB C 30.201 0.1 1 1999 210 210 GLU CG C 36.189 0.1 1 2000 210 210 GLU N N 120.378 0.2 1 2001 211 211 GLU H H 8.544 0.05 1 2002 211 211 GLU HA H 4.200 0.05 1 2003 211 211 GLU HB2 H 1.905 0.05 2 2004 211 211 GLU HG2 H 2.179 0.05 2 2005 211 211 GLU C C 176.290 0.1 1 2006 211 211 GLU CA C 56.677 0.1 1 2007 211 211 GLU CB C 30.050 0.1 1 2008 211 211 GLU CG C 36.132 0.1 1 2009 211 211 GLU N N 122.301 0.2 1 2010 212 212 ASN H H 8.469 0.05 1 2011 212 212 ASN HA H 4.651 0.05 1 2012 212 212 ASN HB2 H 2.732 0.05 2 2013 212 212 ASN C C 175.766 0.1 1 2014 212 212 ASN CA C 53.310 0.1 1 2015 212 212 ASN CB C 39.139 0.1 1 2016 212 212 ASN N N 120.000 0.2 1 2017 213 213 GLY H H 8.383 0.05 1 2018 213 213 GLY HA2 H 3.833 0.05 2 2019 213 213 GLY C C 174.514 0.1 1 2020 213 213 GLY CA C 45.589 0.1 1 2021 213 213 GLY N N 109.573 0.2 1 2022 214 214 ALA H H 8.337 0.05 1 2023 214 214 ALA HA H 4.242 0.05 1 2024 214 214 ALA HB H 1.320 0.05 1 2025 214 214 ALA C C 177.607 0.1 1 2026 214 214 ALA CA C 52.676 0.1 1 2027 214 214 ALA CB C 19.034 0.1 1 2028 214 214 ALA N N 123.707 0.2 1 2029 215 215 ASN H H 8.364 0.05 1 2030 215 215 ASN HA H 4.633 0.05 1 2031 215 215 ASN HB2 H 2.737 0.05 2 2032 215 215 ASN C C 175.324 0.1 1 2033 215 215 ASN CA C 53.244 0.1 1 2034 215 215 ASN CB C 39.069 0.1 1 2035 215 215 ASN N N 117.538 0.2 1 2036 216 216 GLU H H 8.322 0.05 1 2037 216 216 GLU HA H 4.178 0.05 1 2038 216 216 GLU HB2 H 1.898 0.05 2 2039 216 216 GLU HG2 H 2.920 0.05 2 2040 216 216 GLU C C 176.979 0.1 1 2041 216 216 GLU CA C 57.065 0.1 1 2042 216 216 GLU CB C 29.873 0.1 1 2043 216 216 GLU CG C 35.972 0.1 1 2044 216 216 GLU N N 120.990 0.2 1 2045 217 217 GLY H H 8.371 0.05 1 2046 217 217 GLY HA2 H 3.855 0.05 2 2047 217 217 GLY C C 173.962 0.1 1 2048 217 217 GLY CA C 45.541 0.1 1 2049 217 217 GLY N N 109.157 0.2 1 2050 218 218 ASN H H 8.164 0.05 1 2051 218 218 ASN HA H 4.644 0.05 1 2052 218 218 ASN HB2 H 2.713 0.05 2 2053 218 218 ASN C C 175.342 0.1 1 2054 218 218 ASN CA C 53.127 0.1 1 2055 218 218 ASN CB C 38.779 0.1 1 2056 218 218 ASN N N 118.473 0.2 1 stop_ save_