data_27051 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C resonance assignments of the Ixolaris, a tissue factor pathway inhibitor from the tick salivary gland ; _BMRB_accession_number 27051 _BMRB_flat_file_name bmr27051.str _Entry_type original _Submission_date 2017-03-19 _Accession_date 2017-03-19 _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 'de Paula' Viviane S . 2 Silva Felipe H.S. . 3 Francischette Ivo . . 4 Monteiro Robson Q. . 5 Valente 'Ana Paula' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 730 "13C chemical shifts" 515 "15N chemical shifts" 134 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-01-18 original BMRB . stop_ _Original_release_date 2017-03-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 15N and 13C resonance assignments of Ixolaris, a tissue factor pathway inhibitor from the tick salivary gland ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28856584 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'de Paula' Viviane . . 2 Silva Felipe . . 3 Francischette Ivo . . 4 Monteiro Robson . . 5 Valente 'Ana Paula' . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 11 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 293 _Page_last 296 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Ixolaris _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Ixolaris $Ixolaris stop_ _System_molecular_weight 15940 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Ixolaris _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Ixolaris _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 142 _Mol_residue_sequence ; AMAERVSEMDIYEFESWVSC LDPEQVTCESQEGTHASYNR KTGQCEEQKGTECGGGENHF ETLLKCNESCNDAPKPPCSL EVDYGVGRANIPRWYYDTNN ATCEMFTYGGITGNKNNFES EEECKETCKGFSLLKKVNVT IN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 ALA 2 0 MET 3 1 ALA 4 2 GLU 5 3 ARG 6 4 VAL 7 5 SER 8 6 GLU 9 7 MET 10 8 ASP 11 9 ILE 12 10 TYR 13 11 GLU 14 12 PHE 15 13 GLU 16 14 SER 17 15 TRP 18 16 VAL 19 17 SER 20 18 CYS 21 19 LEU 22 20 ASP 23 21 PRO 24 22 GLU 25 23 GLN 26 24 VAL 27 25 THR 28 26 CYS 29 27 GLU 30 28 SER 31 29 GLN 32 30 GLU 33 31 GLY 34 32 THR 35 33 HIS 36 34 ALA 37 35 SER 38 36 TYR 39 37 ASN 40 38 ARG 41 39 LYS 42 40 THR 43 41 GLY 44 42 GLN 45 43 CYS 46 44 GLU 47 45 GLU 48 46 GLN 49 47 LYS 50 48 GLY 51 49 THR 52 50 GLU 53 51 CYS 54 52 GLY 55 53 GLY 56 54 GLY 57 55 GLU 58 56 ASN 59 57 HIS 60 58 PHE 61 59 GLU 62 60 THR 63 61 LEU 64 62 LEU 65 63 LYS 66 64 CYS 67 65 ASN 68 66 GLU 69 67 SER 70 68 CYS 71 69 ASN 72 70 ASP 73 71 ALA 74 72 PRO 75 73 LYS 76 74 PRO 77 75 PRO 78 76 CYS 79 77 SER 80 78 LEU 81 79 GLU 82 80 VAL 83 81 ASP 84 82 TYR 85 83 GLY 86 84 VAL 87 85 GLY 88 86 ARG 89 87 ALA 90 88 ASN 91 89 ILE 92 90 PRO 93 91 ARG 94 92 TRP 95 93 TYR 96 94 TYR 97 95 ASP 98 96 THR 99 97 ASN 100 98 ASN 101 99 ALA 102 100 THR 103 101 CYS 104 102 GLU 105 103 MET 106 104 PHE 107 105 THR 108 106 TYR 109 107 GLY 110 108 GLY 111 109 ILE 112 110 THR 113 111 GLY 114 112 ASN 115 113 LYS 116 114 ASN 117 115 ASN 118 116 PHE 119 117 GLU 120 118 SER 121 119 GLU 122 120 GLU 123 121 GLU 124 122 CYS 125 123 LYS 126 124 GLU 127 125 THR 128 126 CYS 129 127 LYS 130 128 GLY 131 129 PHE 132 130 SER 133 131 LEU 134 132 LEU 135 133 LYS 136 134 LYS 137 135 VAL 138 136 ASN 139 137 VAL 140 138 THR 141 139 ILE 142 140 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Ixolaris 'black-legged tick' 6945 Eukaryota Metazoa Ixodes scapularis 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 $Ixolaris 'recombinant technology' . Escherichia coli . pET32a 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 $Ixolaris 0.18 mM '[U-99% 13C; U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_CS-Rosetta _Saveframe_category software _Name CS-Rosetta _Version . loop_ _Vendor _Address _Electronic_address 'Shen, Vernon, Baker and Bax' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_C(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 6 . pH pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name Ixolaris _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 1 3 ALA H H 8.524 0.020 1 2 1 3 ALA HA H 4.380 0.020 1 3 1 3 ALA HB H 1.457 0.020 1 4 1 3 ALA C C 178.143 0.3 1 5 1 3 ALA CA C 53.413 0.3 1 6 1 3 ALA CB C 20.083 0.3 1 7 1 3 ALA N N 125.481 0.3 1 8 2 4 GLU H H 8.276 0.020 1 9 2 4 GLU HA H 4.406 0.020 1 10 2 4 GLU HB2 H 2.195 0.020 1 11 2 4 GLU HB3 H 2.195 0.020 1 12 2 4 GLU HG2 H 2.645 0.020 1 13 2 4 GLU HG3 H 2.645 0.020 1 14 2 4 GLU C C 176.310 0.3 1 15 2 4 GLU CA C 57.483 0.3 1 16 2 4 GLU CB C 30.659 0.3 1 17 2 4 GLU CG C 36.950 0.3 1 18 2 4 GLU N N 118.931 0.3 1 19 3 5 ARG HA H 4.389 0.020 1 20 3 5 ARG HB2 H 2.021 0.020 1 21 3 5 ARG HB3 H 2.021 0.020 1 22 3 5 ARG HG2 H 1.629 0.020 1 23 3 5 ARG HG3 H 1.629 0.020 1 24 3 5 ARG HD2 H 3.250 0.020 1 25 3 5 ARG HD3 H 3.250 0.020 1 26 3 5 ARG C C 176.174 0.3 1 27 3 5 ARG CA C 57.220 0.3 1 28 3 5 ARG CB C 32.962 0.3 1 29 3 5 ARG CG C 27.910 0.3 1 30 3 5 ARG CD C 44.107 0.3 1 31 4 6 VAL H H 8.278 0.020 1 32 4 6 VAL HA H 4.347 0.020 1 33 4 6 VAL HB H 2.174 0.020 1 34 4 6 VAL HG1 H 0.990 0.020 1 35 4 6 VAL HG2 H 0.990 0.020 1 36 4 6 VAL C C 176.912 0.3 1 37 4 6 VAL CA C 63.000 0.3 1 38 4 6 VAL CB C 33.253 0.3 1 39 4 6 VAL CG1 C 21.748 0.3 1 40 4 6 VAL CG2 C 20.442 0.3 1 41 4 6 VAL N N 120.923 0.3 1 42 5 7 SER H H 8.457 0.020 1 43 5 7 SER HA H 4.562 0.020 1 44 5 7 SER HB2 H 3.933 0.020 1 45 5 7 SER HB3 H 3.933 0.020 1 46 5 7 SER C C 176.930 0.3 1 47 5 7 SER CA C 59.301 0.3 1 48 5 7 SER CB C 64.826 0.3 1 49 5 7 SER N N 118.842 0.3 1 50 6 8 GLU H H 8.496 0.020 1 51 6 8 GLU HA H 4.406 0.020 1 52 6 8 GLU HB2 H 2.110 0.020 1 53 6 8 GLU HB3 H 2.110 0.020 1 54 6 8 GLU HG2 H 2.276 0.020 2 55 6 8 GLU HG3 H 2.398 0.020 2 56 6 8 GLU C C 176.921 0.3 1 57 6 8 GLU CA C 57.425 0.3 1 58 6 8 GLU CB C 30.625 0.3 1 59 6 8 GLU CG C 36.418 0.3 1 60 6 8 GLU N N 122.475 0.3 1 61 7 9 MET H H 8.334 0.020 1 62 7 9 MET HA H 4.584 0.020 1 63 7 9 MET HB2 H 2.136 0.020 1 64 7 9 MET HB3 H 2.136 0.020 1 65 7 9 MET HG2 H 2.657 0.020 1 66 7 9 MET HG3 H 2.657 0.020 1 67 7 9 MET HE H 1.980 0.020 1 68 7 9 MET C C 176.481 0.3 1 69 7 9 MET CA C 56.367 0.3 1 70 7 9 MET CB C 34.335 0.3 1 71 7 9 MET CG C 32.890 0.3 1 72 7 9 MET CE C 17.750 0.3 1 73 7 9 MET N N 120.110 0.3 1 74 8 10 ASP H H 8.335 0.020 1 75 8 10 ASP HA H 4.735 0.020 1 76 8 10 ASP HB2 H 2.664 0.020 1 77 8 10 ASP HB3 H 2.664 0.020 1 78 8 10 ASP C C 176.052 0.3 1 79 8 10 ASP CA C 55.275 0.3 1 80 8 10 ASP CB C 42.204 0.3 1 81 8 10 ASP N N 121.388 0.3 1 82 9 11 ILE H H 8.038 0.020 1 83 9 11 ILE HA H 4.248 0.020 1 84 9 11 ILE HB H 1.809 0.020 1 85 9 11 ILE HG12 H 1.110 0.020 1 86 9 11 ILE HG13 H 1.110 0.020 1 87 9 11 ILE HG2 H 0.840 0.020 1 88 9 11 ILE HD1 H 0.848 0.020 1 89 9 11 ILE C C 175.704 0.3 1 90 9 11 ILE CA C 62.186 0.3 1 91 9 11 ILE CB C 40.021 0.3 1 92 9 11 ILE CG1 C 26.936 0.3 1 93 9 11 ILE CG2 C 18.395 0.3 1 94 9 11 ILE CD1 C 14.006 0.3 1 95 9 11 ILE N N 119.220 0.3 1 96 10 12 TYR H H 8.216 0.020 1 97 10 12 TYR HA H 5.006 0.020 1 98 10 12 TYR HB2 H 2.845 0.020 1 99 10 12 TYR HB3 H 2.845 0.020 1 100 10 12 TYR HD1 H 7.106 0.020 1 101 10 12 TYR HD2 H 7.106 0.020 1 102 10 12 TYR C C 175.736 0.3 1 103 10 12 TYR CA C 57.810 0.3 1 104 10 12 TYR CB C 41.463 0.3 1 105 10 12 TYR N N 122.149 0.3 1 106 11 13 GLU H H 8.697 0.020 1 107 11 13 GLU HA H 4.582 0.020 1 108 11 13 GLU HB2 H 2.000 0.020 1 109 11 13 GLU HB3 H 2.000 0.020 1 110 11 13 GLU HG2 H 2.222 0.020 1 111 11 13 GLU HG3 H 2.222 0.020 1 112 11 13 GLU C C 176.008 0.3 1 113 11 13 GLU CA C 55.214 0.3 1 114 11 13 GLU CB C 32.725 0.3 1 115 11 13 GLU CG C 35.819 0.3 1 116 11 13 GLU N N 120.149 0.3 1 117 12 14 PHE HA H 5.003 0.020 1 118 12 14 PHE HB2 H 2.824 0.020 1 119 12 14 PHE HB3 H 2.824 0.020 1 120 12 14 PHE HD1 H 7.080 0.020 1 121 12 14 PHE HD2 H 7.080 0.020 1 122 12 14 PHE C C 178.321 0.3 1 123 12 14 PHE CA C 57.885 0.3 1 124 12 14 PHE CB C 41.027 0.3 1 125 13 15 GLU H H 8.625 0.020 1 126 13 15 GLU HA H 4.342 0.020 1 127 13 15 GLU HB2 H 1.754 0.020 2 128 13 15 GLU HB3 H 1.994 0.020 2 129 13 15 GLU HG2 H 2.235 0.020 1 130 13 15 GLU HG3 H 2.235 0.020 1 131 13 15 GLU C C 179.350 0.3 1 132 13 15 GLU CA C 57.656 0.3 1 133 13 15 GLU CB C 30.946 0.3 1 134 13 15 GLU CG C 36.884 0.3 1 135 13 15 GLU N N 120.832 0.3 1 136 14 16 SER H H 9.268 0.020 1 137 14 16 SER HA H 4.278 0.020 1 138 14 16 SER HB2 H 4.138 0.020 1 139 14 16 SER HB3 H 4.138 0.020 1 140 14 16 SER C C 176.971 0.3 1 141 14 16 SER CA C 62.481 0.3 1 142 14 16 SER CB C 64.073 0.3 1 143 14 16 SER N N 118.490 0.3 1 144 15 17 TRP H H 7.967 0.020 1 145 15 17 TRP HA H 4.769 0.020 1 146 15 17 TRP HB2 H 3.348 0.020 1 147 15 17 TRP HB3 H 3.348 0.020 1 148 15 17 TRP HD1 H 7.392 0.020 1 149 15 17 TRP HE1 H 10.311 0.020 1 150 15 17 TRP C C 178.321 0.3 1 151 15 17 TRP CA C 58.906 0.3 1 152 15 17 TRP CB C 29.840 0.3 1 153 15 17 TRP N N 116.331 0.3 1 154 15 17 TRP NE1 N 129.728 0.3 1 155 16 18 VAL H H 6.896 0.020 1 156 16 18 VAL HA H 3.049 0.020 1 157 16 18 VAL HB H 1.803 0.020 1 158 16 18 VAL HG1 H 0.455 0.020 2 159 16 18 VAL HG2 H 0.222 0.020 2 160 16 18 VAL C C 179.855 0.3 1 161 16 18 VAL CA C 67.569 0.3 1 162 16 18 VAL CB C 31.716 0.3 1 163 16 18 VAL CG1 C 21.033 0.3 1 164 16 18 VAL CG2 C 22.542 0.3 1 165 16 18 VAL N N 122.413 0.3 1 166 17 19 SER H H 7.718 0.020 1 167 17 19 SER HA H 4.121 0.020 1 168 17 19 SER HB2 H 4.012 0.020 1 169 17 19 SER HB3 H 4.012 0.020 1 170 17 19 SER C C 177.992 0.3 1 171 17 19 SER CA C 62.884 0.3 1 172 17 19 SER CB C 64.565 0.3 1 173 17 19 SER N N 115.239 0.3 1 174 18 20 CYS H H 7.267 0.020 1 175 18 20 CYS HA H 4.399 0.020 1 176 18 20 CYS HB2 H 3.482 0.020 2 177 18 20 CYS HB3 H 2.427 0.020 2 178 18 20 CYS C C 174.628 0.3 1 179 18 20 CYS CA C 59.117 0.3 1 180 18 20 CYS CB C 42.757 0.3 1 181 18 20 CYS N N 115.760 0.3 1 182 19 21 LEU H H 7.325 0.020 1 183 19 21 LEU HA H 4.575 0.020 1 184 19 21 LEU HB2 H 2.300 0.020 2 185 19 21 LEU HB3 H 1.936 0.020 2 186 19 21 LEU HG H 1.750 0.020 1 187 19 21 LEU HD1 H 1.190 0.020 2 188 19 21 LEU HD2 H 1.148 0.020 2 189 19 21 LEU C C 176.769 0.3 1 190 19 21 LEU CA C 52.808 0.3 1 191 19 21 LEU CB C 42.271 0.3 1 192 19 21 LEU CG C 29.787 0.3 1 193 19 21 LEU CD1 C 25.941 0.3 1 194 19 21 LEU CD2 C 25.945 0.3 1 195 19 21 LEU N N 116.267 0.3 1 196 20 22 ASP H H 7.178 0.020 1 197 20 22 ASP HA H 4.773 0.020 1 198 20 22 ASP HB2 H 2.985 0.020 1 199 20 22 ASP HB3 H 2.985 0.020 1 200 20 22 ASP C C 177.714 0.3 1 201 20 22 ASP CA C 53.106 0.3 1 202 20 22 ASP CB C 42.272 0.3 1 203 20 22 ASP N N 123.716 0.3 1 204 21 23 PRO HA H 3.976 0.020 1 205 21 23 PRO HB2 H 2.002 0.020 1 206 21 23 PRO HB3 H 2.002 0.020 1 207 21 23 PRO HG2 H 1.053 0.020 1 208 21 23 PRO HG3 H 1.053 0.020 1 209 21 23 PRO HD2 H 2.782 0.020 1 210 21 23 PRO HD3 H 2.782 0.020 1 211 21 23 PRO CA C 62.400 0.3 1 212 21 23 PRO CB C 31.438 0.3 1 213 21 23 PRO CG C 26.544 0.3 1 214 21 23 PRO CD C 50.182 0.3 1 215 22 24 GLU HA H 4.163 0.020 1 216 22 24 GLU HB2 H 2.180 0.020 1 217 22 24 GLU HB3 H 2.180 0.020 1 218 22 24 GLU HG2 H 2.350 0.020 1 219 22 24 GLU HG3 H 2.350 0.020 1 220 22 24 GLU CA C 58.524 0.3 1 221 22 24 GLU CB C 30.999 0.3 1 222 22 24 GLU CG C 37.124 0.3 1 223 23 25 GLN H H 8.747 0.020 1 224 23 25 GLN HA H 4.176 0.020 1 225 23 25 GLN HB2 H 2.148 0.020 1 226 23 25 GLN HB3 H 2.148 0.020 1 227 23 25 GLN HG2 H 2.245 0.020 1 228 23 25 GLN HG3 H 2.245 0.020 1 229 23 25 GLN HE21 H 7.432 0.020 1 230 23 25 GLN HE22 H 6.925 0.020 1 231 23 25 GLN C C 176.963 0.3 1 232 23 25 GLN CA C 57.727 0.3 1 233 23 25 GLN CB C 29.917 0.3 1 234 23 25 GLN CG C 34.284 0.3 1 235 23 25 GLN N N 124.901 0.3 1 236 23 25 GLN NE2 N 111.281 0.3 1 237 24 26 VAL H H 8.762 0.020 1 238 24 26 VAL HA H 4.624 0.020 1 239 24 26 VAL HB H 2.030 0.020 1 240 24 26 VAL HG1 H 0.599 0.020 2 241 24 26 VAL HG2 H 0.908 0.020 2 242 24 26 VAL C C 176.833 0.3 1 243 24 26 VAL CA C 62.194 0.3 1 244 24 26 VAL CB C 34.000 0.3 1 245 24 26 VAL CG1 C 22.399 0.3 1 246 24 26 VAL CG2 C 21.920 0.3 1 247 24 26 VAL N N 128.351 0.3 1 248 25 27 THR H H 8.733 0.020 1 249 25 27 THR HA H 4.699 0.020 1 250 25 27 THR HB H 3.997 0.020 1 251 25 27 THR HG2 H 1.207 0.020 1 252 25 27 THR C C 174.572 0.3 1 253 25 27 THR CA C 61.149 0.3 1 254 25 27 THR CB C 71.535 0.3 1 255 25 27 THR CG2 C 22.189 0.3 1 256 25 27 THR N N 122.694 0.3 1 257 26 28 CYS H H 9.122 0.020 1 258 26 28 CYS HA H 4.825 0.020 1 259 26 28 CYS HB2 H 3.458 0.020 2 260 26 28 CYS HB3 H 2.994 0.020 2 261 26 28 CYS C C 174.739 0.3 1 262 26 28 CYS CA C 56.803 0.3 1 263 26 28 CYS CB C 43.968 0.3 1 264 26 28 CYS N N 125.380 0.3 1 265 27 29 GLU H H 8.449 0.020 1 266 27 29 GLU HA H 4.214 0.020 1 267 27 29 GLU HB2 H 2.164 0.020 2 268 27 29 GLU HB3 H 2.136 0.020 2 269 27 29 GLU HG2 H 2.298 0.020 2 270 27 29 GLU HG3 H 2.362 0.020 2 271 27 29 GLU C C 176.908 0.3 1 272 27 29 GLU CA C 58.475 0.3 1 273 27 29 GLU CB C 30.869 0.3 1 274 27 29 GLU CG C 36.891 0.3 1 275 27 29 GLU N N 123.271 0.3 1 276 28 30 SER H H 7.953 0.020 1 277 28 30 SER HA H 4.877 0.020 1 278 28 30 SER HB2 H 3.753 0.020 1 279 28 30 SER HB3 H 3.753 0.020 1 280 28 30 SER C C 175.962 0.3 1 281 28 30 SER CA C 56.289 0.3 1 282 28 30 SER CB C 64.799 0.3 1 283 28 30 SER N N 110.997 0.3 1 284 29 31 GLN H H 9.068 0.020 1 285 29 31 GLN HA H 4.462 0.020 1 286 29 31 GLN HB2 H 2.059 0.020 1 287 29 31 GLN HB3 H 2.059 0.020 1 288 29 31 GLN HG2 H 2.433 0.020 1 289 29 31 GLN HG3 H 2.433 0.020 1 290 29 31 GLN HE21 H 7.577 0.020 1 291 29 31 GLN HE22 H 6.863 0.020 1 292 29 31 GLN C C 176.268 0.3 1 293 29 31 GLN CA C 56.608 0.3 1 294 29 31 GLN CB C 30.277 0.3 1 295 29 31 GLN CG C 34.385 0.3 1 296 29 31 GLN N N 125.052 0.3 1 297 29 31 GLN NE2 N 112.972 0.3 1 298 30 32 GLU H H 8.163 0.020 1 299 30 32 GLU HA H 4.445 0.020 1 300 30 32 GLU HB2 H 2.151 0.020 2 301 30 32 GLU HB3 H 1.862 0.020 2 302 30 32 GLU HG2 H 2.255 0.020 1 303 30 32 GLU HG3 H 2.255 0.020 1 304 30 32 GLU C C 176.991 0.3 1 305 30 32 GLU CA C 56.322 0.3 1 306 30 32 GLU CB C 31.368 0.3 1 307 30 32 GLU CG C 37.043 0.3 1 308 30 32 GLU N N 119.207 0.3 1 309 31 33 GLY H H 8.195 0.020 1 310 31 33 GLY HA2 H 4.061 0.020 2 311 31 33 GLY HA3 H 4.271 0.020 2 312 31 33 GLY C C 174.488 0.3 1 313 31 33 GLY CA C 45.572 0.3 1 314 31 33 GLY N N 106.528 0.3 1 315 32 34 THR H H 8.419 0.020 1 316 32 34 THR HA H 5.339 0.020 1 317 32 34 THR HB H 4.305 0.020 1 318 32 34 THR HG2 H 1.155 0.020 1 319 32 34 THR C C 174.016 0.3 1 320 32 34 THR CA C 61.053 0.3 1 321 32 34 THR CB C 74.406 0.3 1 322 32 34 THR CG2 C 22.632 0.3 1 323 32 34 THR N N 110.450 0.3 1 324 33 35 HIS H H 9.077 0.020 1 325 33 35 HIS HA H 5.117 0.020 1 326 33 35 HIS HB2 H 3.659 0.020 2 327 33 35 HIS HB3 H 3.385 0.020 2 328 33 35 HIS HD2 H 7.260 0.020 1 329 33 35 HIS C C 172.098 0.3 1 330 33 35 HIS CA C 55.307 0.3 1 331 33 35 HIS CB C 31.696 0.3 1 332 33 35 HIS N N 114.095 0.3 1 333 34 36 ALA H H 9.326 0.020 1 334 34 36 ALA HA H 5.800 0.020 1 335 34 36 ALA HB H 1.317 0.020 1 336 34 36 ALA C C 177.213 0.3 1 337 34 36 ALA CA C 50.906 0.3 1 338 34 36 ALA CB C 23.252 0.3 1 339 34 36 ALA N N 120.247 0.3 1 340 35 37 SER H H 9.100 0.020 1 341 35 37 SER HA H 4.931 0.020 1 342 35 37 SER HB2 H 3.711 0.020 2 343 35 37 SER HB3 H 4.151 0.020 2 344 35 37 SER C C 173.238 0.3 1 345 35 37 SER CA C 59.701 0.3 1 346 35 37 SER CB C 68.594 0.3 1 347 35 37 SER N N 116.207 0.3 1 348 36 38 TYR H H 11.132 0.020 1 349 36 38 TYR HA H 4.538 0.020 1 350 36 38 TYR HB2 H 3.514 0.020 1 351 36 38 TYR HB3 H 3.514 0.020 1 352 36 38 TYR HD1 H 7.118 0.020 1 353 36 38 TYR HD2 H 7.118 0.020 1 354 36 38 TYR C C 175.773 0.3 1 355 36 38 TYR CA C 60.669 0.3 1 356 36 38 TYR CB C 40.611 0.3 1 357 36 38 TYR N N 129.811 0.3 1 358 37 39 ASN H H 8.229 0.020 1 359 37 39 ASN HA H 4.890 0.020 1 360 37 39 ASN HB2 H 2.437 0.020 1 361 37 39 ASN HB3 H 2.437 0.020 1 362 37 39 ASN HD21 H 8.330 0.020 1 363 37 39 ASN HD22 H 7.049 0.020 1 364 37 39 ASN C C 176.443 0.3 1 365 37 39 ASN CA C 52.466 0.3 1 366 37 39 ASN CB C 38.879 0.3 1 367 37 39 ASN N N 127.143 0.3 1 368 37 39 ASN ND2 N 113.723 0.3 1 369 38 40 ARG H H 9.035 0.020 1 370 38 40 ARG HA H 3.858 0.020 1 371 38 40 ARG HB2 H 2.072 0.020 1 372 38 40 ARG HB3 H 2.072 0.020 1 373 38 40 ARG HG2 H 1.145 0.020 1 374 38 40 ARG HG3 H 1.145 0.020 1 375 38 40 ARG HD2 H 3.536 0.020 1 376 38 40 ARG HD3 H 3.536 0.020 1 377 38 40 ARG C C 175.935 0.3 1 378 38 40 ARG CA C 58.619 0.3 1 379 38 40 ARG CB C 30.123 0.3 1 380 38 40 ARG CG C 25.945 0.3 1 381 38 40 ARG CD C 42.949 0.3 1 382 38 40 ARG N N 124.068 0.3 1 383 39 41 LYS H H 8.508 0.020 1 384 39 41 LYS HA H 4.217 0.020 1 385 39 41 LYS HB2 H 1.969 0.020 1 386 39 41 LYS HB3 H 1.969 0.020 1 387 39 41 LYS HG2 H 1.510 0.020 1 388 39 41 LYS HG3 H 1.510 0.020 1 389 39 41 LYS HD2 H 1.752 0.020 1 390 39 41 LYS HD3 H 1.752 0.020 1 391 39 41 LYS HE2 H 3.123 0.020 1 392 39 41 LYS HE3 H 3.123 0.020 1 393 39 41 LYS C C 177.936 0.3 1 394 39 41 LYS CA C 58.860 0.3 1 395 39 41 LYS CB C 33.983 0.3 1 396 39 41 LYS CG C 26.518 0.3 1 397 39 41 LYS CD C 29.339 0.3 1 398 39 41 LYS CE C 43.008 0.3 1 399 39 41 LYS N N 117.487 0.3 1 400 40 42 THR H H 7.064 0.020 1 401 40 42 THR HA H 4.553 0.020 1 402 40 42 THR HB H 4.315 0.020 1 403 40 42 THR HG2 H 1.138 0.020 1 404 40 42 THR C C 177.797 0.3 1 405 40 42 THR CA C 61.454 0.3 1 406 40 42 THR CB C 70.814 0.3 1 407 40 42 THR CG2 C 22.115 0.3 1 408 40 42 THR N N 104.707 0.3 1 409 41 43 GLY H H 8.563 0.020 1 410 41 43 GLY HA2 H 3.797 0.020 2 411 41 43 GLY HA3 H 4.005 0.020 2 412 41 43 GLY C C 172.876 0.3 1 413 41 43 GLY CA C 47.116 0.3 1 414 41 43 GLY N N 110.530 0.3 1 415 42 44 GLN H H 7.244 0.020 1 416 42 44 GLN HA H 4.977 0.020 1 417 42 44 GLN HB2 H 2.255 0.020 1 418 42 44 GLN HB3 H 2.255 0.020 1 419 42 44 GLN HG2 H 1.879 0.020 1 420 42 44 GLN HG3 H 1.879 0.020 1 421 42 44 GLN HE21 H 7.548 0.020 1 422 42 44 GLN HE22 H 6.931 0.020 1 423 42 44 GLN C C 176.574 0.3 1 424 42 44 GLN CA C 54.382 0.3 1 425 42 44 GLN CB C 33.807 0.3 1 426 42 44 GLN CG C 36.225 0.3 1 427 42 44 GLN N N 114.270 0.3 1 428 42 44 GLN NE2 N 111.389 0.3 1 429 43 45 CYS H H 9.115 0.020 1 430 43 45 CYS HA H 5.203 0.020 1 431 43 45 CYS HB2 H 3.549 0.020 2 432 43 45 CYS HB3 H 2.569 0.020 2 433 43 45 CYS C C 176.483 0.3 1 434 43 45 CYS CA C 59.815 0.3 1 435 43 45 CYS CB C 48.928 0.3 1 436 43 45 CYS N N 119.831 0.3 1 437 44 46 GLU H H 9.154 0.020 1 438 44 46 GLU HA H 4.658 0.020 1 439 44 46 GLU HB2 H 2.073 0.020 1 440 44 46 GLU HB3 H 2.073 0.020 1 441 44 46 GLU HG2 H 2.591 0.020 1 442 44 46 GLU HG3 H 2.591 0.020 1 443 44 46 GLU C C 175.704 0.3 1 444 44 46 GLU CA C 54.344 0.3 1 445 44 46 GLU CB C 34.366 0.3 1 446 44 46 GLU CG C 32.945 0.3 1 447 44 46 GLU N N 119.776 0.3 1 448 45 47 GLU HA H 4.791 0.020 1 449 45 47 GLU HB2 H 2.050 0.020 1 450 45 47 GLU HB3 H 2.050 0.020 1 451 45 47 GLU HG2 H 2.263 0.020 1 452 45 47 GLU HG3 H 2.263 0.020 1 453 45 47 GLU C C 176.689 0.3 1 454 45 47 GLU CA C 55.095 0.3 1 455 45 47 GLU CB C 32.308 0.3 1 456 45 47 GLU CG C 36.732 0.3 1 457 46 48 GLN H H 8.989 0.020 1 458 46 48 GLN HA H 4.693 0.020 1 459 46 48 GLN HB2 H 2.073 0.020 1 460 46 48 GLN HB3 H 2.073 0.020 1 461 46 48 GLN C C 175.051 0.3 1 462 46 48 GLN CA C 57.283 0.3 1 463 46 48 GLN CB C 34.008 0.3 1 464 46 48 GLN N N 122.363 0.3 1 465 47 49 LYS H H 8.610 0.020 1 466 47 49 LYS HA H 4.368 0.020 1 467 47 49 LYS HB2 H 2.007 0.020 1 468 47 49 LYS HB3 H 2.007 0.020 1 469 47 49 LYS HG2 H 1.360 0.020 1 470 47 49 LYS HG3 H 1.360 0.020 1 471 47 49 LYS HD2 H 1.708 0.020 1 472 47 49 LYS HD3 H 1.708 0.020 1 473 47 49 LYS HE2 H 3.067 0.020 1 474 47 49 LYS HE3 H 3.067 0.020 1 475 47 49 LYS C C 178.131 0.3 1 476 47 49 LYS CA C 58.333 0.3 1 477 47 49 LYS CB C 33.710 0.3 1 478 47 49 LYS CG C 25.863 0.3 1 479 47 49 LYS CD C 30.080 0.3 1 480 47 49 LYS CE C 42.982 0.3 1 481 47 49 LYS N N 120.971 0.3 1 482 48 50 GLY H H 8.200 0.020 1 483 48 50 GLY HA2 H 4.048 0.020 2 484 48 50 GLY HA3 H 4.660 0.020 2 485 48 50 GLY C C 178.237 0.3 1 486 48 50 GLY CA C 45.226 0.3 1 487 48 50 GLY N N 112.664 0.3 1 488 49 51 THR H H 8.721 0.020 1 489 49 51 THR HA H 4.775 0.020 1 490 49 51 THR HB H 4.335 0.020 1 491 49 51 THR HG2 H 1.387 0.020 1 492 49 51 THR C C 174.350 0.3 1 493 49 51 THR CA C 61.581 0.3 1 494 49 51 THR CB C 73.270 0.3 1 495 49 51 THR CG2 C 23.523 0.3 1 496 49 51 THR N N 115.024 0.3 1 497 50 52 GLU H H 8.689 0.020 1 498 50 52 GLU HA H 4.011 0.020 1 499 50 52 GLU HB2 H 2.210 0.020 1 500 50 52 GLU HB3 H 2.210 0.020 1 501 50 52 GLU HG2 H 2.349 0.020 1 502 50 52 GLU HG3 H 2.349 0.020 1 503 50 52 GLU C C 177.825 0.3 1 504 50 52 GLU CA C 57.795 0.3 1 505 50 52 GLU CB C 27.707 0.3 1 506 50 52 GLU CG C 36.649 0.3 1 507 50 52 GLU N N 118.050 0.3 1 508 51 53 CYS H H 8.167 0.020 1 509 51 53 CYS HA H 5.099 0.020 1 510 51 53 CYS HB2 H 1.949 0.020 1 511 51 53 CYS HB3 H 1.949 0.020 1 512 51 53 CYS C C 174.072 0.3 1 513 51 53 CYS CA C 56.691 0.3 1 514 51 53 CYS CB C 45.488 0.3 1 515 51 53 CYS N N 120.236 0.3 1 516 52 54 GLY H H 8.474 0.020 1 517 52 54 GLY HA2 H 3.805 0.020 2 518 52 54 GLY HA3 H 4.079 0.020 2 519 52 54 GLY C C 172.015 0.3 1 520 52 54 GLY CA C 45.359 0.3 1 521 52 54 GLY N N 110.234 0.3 1 522 53 55 GLY H H 8.391 0.020 1 523 53 55 GLY HA2 H 4.743 0.020 2 524 53 55 GLY HA3 H 3.546 0.020 2 525 53 55 GLY C C 175.490 0.3 1 526 53 55 GLY CA C 46.023 0.3 1 527 53 55 GLY N N 108.026 0.3 1 528 54 56 GLY H H 8.004 0.020 1 529 54 56 GLY HA2 H 3.609 0.020 1 530 54 56 GLY HA3 H 3.609 0.020 1 531 54 56 GLY C C 172.904 0.3 1 532 54 56 GLY CA C 45.989 0.3 1 533 54 56 GLY N N 113.207 0.3 1 534 55 57 GLU H H 9.033 0.020 1 535 55 57 GLU HA H 4.294 0.020 1 536 55 57 GLU HB2 H 2.117 0.020 1 537 55 57 GLU HB3 H 2.117 0.020 1 538 55 57 GLU HG2 H 2.321 0.020 1 539 55 57 GLU HG3 H 2.321 0.020 1 540 55 57 GLU C C 178.377 0.3 1 541 55 57 GLU CA C 57.500 0.3 1 542 55 57 GLU CB C 30.625 0.3 1 543 55 57 GLU CG C 36.718 0.3 1 544 55 57 GLU N N 114.431 0.3 1 545 56 58 ASN H H 8.546 0.020 1 546 56 58 ASN HA H 4.916 0.020 1 547 56 58 ASN HB2 H 3.341 0.020 2 548 56 58 ASN HB3 H 3.082 0.020 2 549 56 58 ASN HD21 H 8.401 0.020 1 550 56 58 ASN HD22 H 7.723 0.020 1 551 56 58 ASN C C 176.296 0.3 1 552 56 58 ASN CA C 53.234 0.3 1 553 56 58 ASN CB C 36.961 0.3 1 554 56 58 ASN N N 118.453 0.3 1 555 56 58 ASN ND2 N 109.506 0.3 1 556 57 59 HIS H H 7.695 0.020 1 557 57 59 HIS HA H 5.112 0.020 1 558 57 59 HIS HB2 H 3.041 0.020 2 559 57 59 HIS HB3 H 2.493 0.020 2 560 57 59 HIS HD2 H 7.294 0.020 1 561 57 59 HIS C C 171.014 0.3 1 562 57 59 HIS CA C 55.573 0.3 1 563 57 59 HIS CB C 30.148 0.3 1 564 57 59 HIS N N 117.525 0.3 1 565 58 60 PHE H H 9.334 0.020 1 566 58 60 PHE HA H 4.826 0.020 1 567 58 60 PHE HB2 H 3.209 0.020 2 568 58 60 PHE HB3 H 2.605 0.020 2 569 58 60 PHE HD1 H 7.138 0.020 1 570 58 60 PHE HD2 H 7.138 0.020 1 571 58 60 PHE C C 177.547 0.3 1 572 58 60 PHE CA C 56.765 0.3 1 573 58 60 PHE CB C 44.158 0.3 1 574 58 60 PHE N N 118.402 0.3 1 575 59 61 GLU H H 9.791 0.020 1 576 59 61 GLU HA H 4.403 0.020 1 577 59 61 GLU HB2 H 2.318 0.020 1 578 59 61 GLU HB3 H 2.318 0.020 1 579 59 61 GLU HG2 H 2.241 0.020 1 580 59 61 GLU HG3 H 2.241 0.020 1 581 59 61 GLU C C 177.453 0.3 1 582 59 61 GLU CA C 61.013 0.3 1 583 59 61 GLU CB C 31.581 0.3 1 584 59 61 GLU CG C 37.359 0.3 1 585 59 61 GLU N N 121.280 0.3 1 586 60 62 THR H H 7.109 0.020 1 587 60 62 THR HA H 4.810 0.020 1 588 60 62 THR HB H 4.137 0.020 1 589 60 62 THR HG2 H 1.357 0.020 1 590 60 62 THR C C 175.509 0.3 1 591 60 62 THR CA C 58.497 0.3 1 592 60 62 THR CB C 74.424 0.3 1 593 60 62 THR CG2 C 22.489 0.3 1 594 60 62 THR N N 100.366 0.3 1 595 61 63 LEU H H 9.280 0.020 1 596 61 63 LEU HA H 3.737 0.020 1 597 61 63 LEU HB2 H 1.690 0.020 1 598 61 63 LEU HB3 H 1.690 0.020 1 599 61 63 LEU HG H 1.678 0.020 1 600 61 63 LEU HD1 H 0.931 0.020 2 601 61 63 LEU HD2 H 0.915 0.020 2 602 61 63 LEU C C 178.790 0.3 1 603 61 63 LEU CA C 59.253 0.3 1 604 61 63 LEU CB C 43.054 0.3 1 605 61 63 LEU CG C 27.793 0.3 1 606 61 63 LEU CD1 C 24.431 0.3 1 607 61 63 LEU CD2 C 25.415 0.3 1 608 61 63 LEU N N 123.689 0.3 1 609 62 64 LEU H H 8.103 0.020 1 610 62 64 LEU HA H 4.176 0.020 1 611 62 64 LEU HB2 H 1.717 0.020 1 612 62 64 LEU HB3 H 1.717 0.020 1 613 62 64 LEU HG H 1.673 0.020 1 614 62 64 LEU HD1 H 0.689 0.020 2 615 62 64 LEU HD2 H 0.416 0.020 2 616 62 64 LEU C C 179.778 0.3 1 617 62 64 LEU CA C 59.438 0.3 1 618 62 64 LEU CB C 42.614 0.3 1 619 62 64 LEU CG C 27.705 0.3 1 620 62 64 LEU CD1 C 25.953 0.3 1 621 62 64 LEU CD2 C 23.856 0.3 1 622 62 64 LEU N N 118.899 0.3 1 623 63 65 LYS H H 7.965 0.020 1 624 63 65 LYS HA H 4.243 0.020 1 625 63 65 LYS HB2 H 2.123 0.020 1 626 63 65 LYS HB3 H 2.123 0.020 1 627 63 65 LYS HG2 H 1.690 0.020 1 628 63 65 LYS HG3 H 1.690 0.020 1 629 63 65 LYS HD2 H 1.785 0.020 1 630 63 65 LYS HD3 H 1.785 0.020 1 631 63 65 LYS HE2 H 3.175 0.020 1 632 63 65 LYS HE3 H 3.175 0.020 1 633 63 65 LYS C C 179.656 0.3 1 634 63 65 LYS CA C 59.309 0.3 1 635 63 65 LYS CB C 33.987 0.3 1 636 63 65 LYS CG C 25.659 0.3 1 637 63 65 LYS CD C 29.529 0.3 1 638 63 65 LYS CE C 43.057 0.3 1 639 63 65 LYS N N 118.229 0.3 1 640 64 66 CYS H H 7.843 0.020 1 641 64 66 CYS HA H 4.065 0.020 1 642 64 66 CYS HB2 H 3.217 0.020 2 643 64 66 CYS HB3 H 2.697 0.020 2 644 64 66 CYS C C 175.853 0.3 1 645 64 66 CYS CA C 60.100 0.3 1 646 64 66 CYS CB C 40.858 0.3 1 647 64 66 CYS N N 120.111 0.3 1 648 65 67 ASN H H 8.889 0.020 1 649 65 67 ASN HA H 4.226 0.020 1 650 65 67 ASN HB2 H 2.910 0.020 1 651 65 67 ASN HB3 H 2.910 0.020 1 652 65 67 ASN HD21 H 7.711 0.020 1 653 65 67 ASN HD22 H 6.926 0.020 1 654 65 67 ASN C C 178.409 0.3 1 655 65 67 ASN CA C 57.212 0.3 1 656 65 67 ASN CB C 38.707 0.3 1 657 65 67 ASN N N 121.384 0.3 1 658 65 67 ASN ND2 N 112.989 0.3 1 659 66 68 GLU H H 8.201 0.020 1 660 66 68 GLU HA H 4.188 0.020 1 661 66 68 GLU HB2 H 2.234 0.020 1 662 66 68 GLU HB3 H 2.234 0.020 1 663 66 68 GLU HG2 H 2.281 0.020 1 664 66 68 GLU HG3 H 2.281 0.020 1 665 66 68 GLU C C 179.809 0.3 1 666 66 68 GLU CA C 59.993 0.3 1 667 66 68 GLU CB C 30.553 0.3 1 668 66 68 GLU CG C 37.278 0.3 1 669 66 68 GLU N N 118.517 0.3 1 670 67 69 SER H H 7.685 0.020 1 671 67 69 SER HA H 4.519 0.020 1 672 67 69 SER HB2 H 3.708 0.020 1 673 67 69 SER HB3 H 3.708 0.020 1 674 67 69 SER CA C 62.952 0.3 1 675 67 69 SER CB C 65.681 0.3 1 676 67 69 SER N N 113.315 0.3 1 677 68 70 CYS H H 8.514 0.020 1 678 68 70 CYS HA H 4.814 0.020 1 679 68 70 CYS HB2 H 2.531 0.020 1 680 68 70 CYS HB3 H 2.531 0.020 1 681 68 70 CYS C C 177.269 0.3 1 682 68 70 CYS CA C 53.930 0.3 1 683 68 70 CYS CB C 41.854 0.3 1 684 68 70 CYS N N 113.799 0.3 1 685 69 71 ASN H H 8.096 0.020 1 686 69 71 ASN HA H 4.520 0.020 1 687 69 71 ASN HB2 H 3.170 0.020 2 688 69 71 ASN HB3 H 2.859 0.020 2 689 69 71 ASN HD21 H 7.332 0.020 1 690 69 71 ASN HD22 H 7.033 0.020 1 691 69 71 ASN C C 176.880 0.3 1 692 69 71 ASN CA C 57.927 0.3 1 693 69 71 ASN CB C 39.852 0.3 1 694 69 71 ASN N N 122.690 0.3 1 695 69 71 ASN ND2 N 110.595 0.3 1 696 70 72 ASP H H 8.437 0.020 1 697 70 72 ASP HA H 4.946 0.020 1 698 70 72 ASP HB2 H 3.007 0.020 2 699 70 72 ASP HB3 H 2.696 0.020 2 700 70 72 ASP C C 175.177 0.3 1 701 70 72 ASP CA C 53.802 0.3 1 702 70 72 ASP CB C 41.139 0.3 1 703 70 72 ASP N N 116.292 0.3 1 704 71 73 ALA H H 7.172 0.020 1 705 71 73 ALA HA H 4.004 0.020 1 706 71 73 ALA HB H 1.102 0.020 1 707 71 73 ALA C C 175.222 0.3 1 708 71 73 ALA CA C 51.011 0.3 1 709 71 73 ALA CB C 18.822 0.3 1 710 71 73 ALA N N 119.551 0.3 1 711 72 74 PRO HA H 3.593 0.020 1 712 72 74 PRO HB2 H 1.033 0.020 1 713 72 74 PRO HB3 H 1.033 0.020 1 714 72 74 PRO HG2 H 1.805 0.020 1 715 72 74 PRO HG3 H 1.805 0.020 1 716 72 74 PRO HD2 H 3.507 0.020 2 717 72 74 PRO HD3 H 3.215 0.020 2 718 72 74 PRO C C 174.989 0.3 1 719 72 74 PRO CA C 64.426 0.3 1 720 72 74 PRO CB C 31.481 0.3 1 721 72 74 PRO CG C 29.279 0.3 1 722 72 74 PRO CD C 50.722 0.3 1 723 73 75 LYS H H 8.456 0.020 1 724 73 75 LYS HA H 4.180 0.020 1 725 73 75 LYS HB2 H 1.723 0.020 1 726 73 75 LYS HB3 H 1.723 0.020 1 727 73 75 LYS HG2 H 1.330 0.020 1 728 73 75 LYS HG3 H 1.330 0.020 1 729 73 75 LYS HD2 H 1.659 0.020 1 730 73 75 LYS HD3 H 1.659 0.020 1 731 73 75 LYS HE2 H 2.993 0.020 1 732 73 75 LYS HE3 H 2.993 0.020 1 733 73 75 LYS C C 176.046 0.3 1 734 73 75 LYS CA C 54.443 0.3 1 735 73 75 LYS CB C 33.992 0.3 1 736 73 75 LYS CG C 25.826 0.3 1 737 73 75 LYS CD C 30.351 0.3 1 738 73 75 LYS CE C 43.100 0.3 1 739 73 75 LYS N N 126.101 0.3 1 740 74 76 PRO HA H 4.618 0.020 1 741 74 76 PRO HB2 H 2.370 0.020 1 742 74 76 PRO HB3 H 2.370 0.020 1 743 74 76 PRO HG2 H 2.098 0.020 1 744 74 76 PRO HG3 H 2.098 0.020 1 745 74 76 PRO HD2 H 3.861 0.020 2 746 74 76 PRO HD3 H 4.104 0.020 2 747 74 76 PRO CA C 64.079 0.3 1 748 74 76 PRO CB C 32.532 0.3 1 749 74 76 PRO CG C 28.419 0.3 1 750 74 76 PRO CD C 51.594 0.3 1 751 75 77 PRO HA H 4.323 0.020 1 752 75 77 PRO HB2 H 2.321 0.020 1 753 75 77 PRO HB3 H 2.321 0.020 1 754 75 77 PRO HG2 H 1.921 0.020 1 755 75 77 PRO HG3 H 1.921 0.020 1 756 75 77 PRO HD2 H 3.953 0.020 1 757 75 77 PRO HD3 H 3.953 0.020 1 758 75 77 PRO C C 176.003 0.3 1 759 75 77 PRO CA C 64.837 0.3 1 760 75 77 PRO CB C 36.497 0.3 1 761 75 77 PRO CG C 25.246 0.3 1 762 75 77 PRO CD C 50.985 0.3 1 763 76 78 CYS H H 7.909 0.020 1 764 76 78 CYS HA H 4.334 0.020 1 765 76 78 CYS HB2 H 2.884 0.020 1 766 76 78 CYS HB3 H 2.884 0.020 1 767 76 78 CYS C C 173.554 0.3 1 768 76 78 CYS CA C 58.368 0.3 1 769 76 78 CYS CB C 39.715 0.3 1 770 76 78 CYS N N 124.217 0.3 1 771 77 79 SER H H 7.170 0.020 1 772 77 79 SER HA H 3.992 0.020 1 773 77 79 SER HB2 H 3.266 0.020 1 774 77 79 SER HB3 H 3.266 0.020 1 775 77 79 SER C C 175.823 0.3 1 776 77 79 SER CA C 60.604 0.3 1 777 77 79 SER CB C 63.833 0.3 1 778 77 79 SER N N 103.949 0.3 1 779 78 80 LEU H H 7.629 0.020 1 780 78 80 LEU HA H 4.349 0.020 1 781 78 80 LEU HB2 H 2.007 0.020 1 782 78 80 LEU HB3 H 2.007 0.020 1 783 78 80 LEU HG H 1.664 0.020 1 784 78 80 LEU HD1 H 1.032 0.020 2 785 78 80 LEU HD2 H 1.128 0.020 2 786 78 80 LEU C C 178.641 0.3 1 787 78 80 LEU CA C 56.012 0.3 1 788 78 80 LEU CB C 41.243 0.3 1 789 78 80 LEU CG C 28.001 0.3 1 790 78 80 LEU CD1 C 25.260 0.3 1 791 78 80 LEU CD2 C 25.258 0.3 1 792 78 80 LEU N N 123.352 0.3 1 793 79 81 GLU H H 9.438 0.020 1 794 79 81 GLU HA H 4.537 0.020 1 795 79 81 GLU HB2 H 2.011 0.020 1 796 79 81 GLU HB3 H 2.011 0.020 1 797 79 81 GLU HG2 H 2.188 0.020 2 798 79 81 GLU HG3 H 2.090 0.020 2 799 79 81 GLU C C 176.296 0.3 1 800 79 81 GLU CA C 57.690 0.3 1 801 79 81 GLU CB C 34.094 0.3 1 802 79 81 GLU CG C 36.412 0.3 1 803 79 81 GLU N N 123.937 0.3 1 804 80 82 VAL H H 8.248 0.020 1 805 80 82 VAL HA H 3.754 0.020 1 806 80 82 VAL HB H 1.771 0.020 1 807 80 82 VAL HG1 H -0.964 0.020 2 808 80 82 VAL HG2 H 0.139 0.020 2 809 80 82 VAL C C 175.930 0.3 1 810 80 82 VAL CA C 62.318 0.3 1 811 80 82 VAL CB C 32.023 0.3 1 812 80 82 VAL CG1 C 21.564 0.3 1 813 80 82 VAL CG2 C 19.275 0.3 1 814 80 82 VAL N N 121.113 0.3 1 815 81 83 ASP H H 7.791 0.020 1 816 81 83 ASP HA H 4.822 0.020 1 817 81 83 ASP HB2 H 2.796 0.020 1 818 81 83 ASP HB3 H 2.796 0.020 1 819 81 83 ASP C C 176.872 0.3 1 820 81 83 ASP CA C 52.750 0.3 1 821 81 83 ASP CB C 42.766 0.3 1 822 81 83 ASP N N 125.666 0.3 1 823 82 84 TYR HA H 4.550 0.020 1 824 82 84 TYR HB2 H 3.672 0.020 2 825 82 84 TYR HB3 H 3.051 0.020 2 826 82 84 TYR HD1 H 7.300 0.020 1 827 82 84 TYR HD2 H 7.300 0.020 1 828 82 84 TYR C C 177.436 0.3 1 829 82 84 TYR CA C 61.761 0.3 1 830 82 84 TYR CB C 39.473 0.3 1 831 83 85 GLY H H 8.960 0.020 1 832 83 85 GLY HA2 H 4.283 0.020 1 833 83 85 GLY HA3 H 4.283 0.020 1 834 83 85 GLY C C 175.017 0.3 1 835 83 85 GLY CA C 45.481 0.3 1 836 83 85 GLY N N 106.559 0.3 1 837 84 86 VAL HA H 4.255 0.020 1 838 84 86 VAL HB H 1.724 0.020 1 839 84 86 VAL HG1 H 0.914 0.020 2 840 84 86 VAL HG2 H 0.937 0.020 2 841 84 86 VAL C C 178.777 0.3 1 842 84 86 VAL CA C 56.708 0.3 1 843 84 86 VAL CB C 43.054 0.3 1 844 84 86 VAL CG1 C 25.363 0.3 1 845 84 86 VAL CG2 C 25.065 0.3 1 846 85 87 GLY H H 8.556 0.020 1 847 85 87 GLY HA2 H 4.061 0.020 1 848 85 87 GLY HA3 H 4.061 0.020 1 849 85 87 GLY C C 175.128 0.3 1 850 85 87 GLY CA C 46.234 0.3 1 851 85 87 GLY N N 109.398 0.3 1 852 86 88 ARG HA H 4.362 0.020 1 853 86 88 ARG HB2 H 2.196 0.020 1 854 86 88 ARG HB3 H 2.196 0.020 1 855 86 88 ARG HG2 H 1.698 0.020 1 856 86 88 ARG HG3 H 1.698 0.020 1 857 86 88 ARG C C 177.437 0.3 1 858 86 88 ARG CA C 57.112 0.3 1 859 86 88 ARG CB C 31.336 0.3 1 860 86 88 ARG CG C 27.836 0.3 1 861 86 88 ARG CD C 44.016 0.3 1 862 87 89 ALA H H 8.369 0.020 1 863 87 89 ALA HA H 4.189 0.020 1 864 87 89 ALA HB H 1.317 0.020 1 865 87 89 ALA C C 176.935 0.3 1 866 87 89 ALA CA C 54.205 0.3 1 867 87 89 ALA CB C 20.022 0.3 1 868 87 89 ALA N N 122.086 0.3 1 869 88 90 ASN H H 8.244 0.020 1 870 88 90 ASN HA H 4.767 0.020 1 871 88 90 ASN HB2 H 2.736 0.020 1 872 88 90 ASN HB3 H 2.736 0.020 1 873 88 90 ASN C C 174.795 0.3 1 874 88 90 ASN CA C 53.930 0.3 1 875 88 90 ASN CB C 38.270 0.3 1 876 88 90 ASN N N 115.795 0.3 1 877 90 92 PRO HA H 4.775 0.020 1 878 90 92 PRO HB2 H 2.289 0.020 2 879 90 92 PRO HB3 H 2.072 0.020 2 880 90 92 PRO HG2 H 2.098 0.020 1 881 90 92 PRO HG3 H 2.098 0.020 1 882 90 92 PRO HD2 H 3.678 0.020 1 883 90 92 PRO HD3 H 3.678 0.020 1 884 90 92 PRO C C 177.954 0.3 1 885 90 92 PRO CA C 63.976 0.3 1 886 90 92 PRO CB C 32.341 0.3 1 887 90 92 PRO CG C 28.273 0.3 1 888 90 92 PRO CD C 50.890 0.3 1 889 91 93 ARG H H 8.783 0.020 1 890 91 93 ARG HA H 4.852 0.020 1 891 91 93 ARG HB2 H 1.892 0.020 1 892 91 93 ARG HB3 H 1.892 0.020 1 893 91 93 ARG HG2 H 0.803 0.020 1 894 91 93 ARG HG3 H 0.803 0.020 1 895 91 93 ARG C C 173.975 0.3 1 896 91 93 ARG CA C 53.305 0.3 1 897 91 93 ARG CB C 36.592 0.3 1 898 91 93 ARG CG C 25.224 0.3 1 899 91 93 ARG N N 127.858 0.3 1 900 92 94 TRP H H 9.195 0.020 1 901 92 94 TRP HA H 5.860 0.020 1 902 92 94 TRP HB2 H 2.979 0.020 1 903 92 94 TRP HB3 H 2.979 0.020 1 904 92 94 TRP HD1 H 7.197 0.020 1 905 92 94 TRP HE1 H 10.562 0.020 1 906 92 94 TRP C C 175.818 0.3 1 907 92 94 TRP CA C 57.112 0.3 1 908 92 94 TRP CB C 32.528 0.3 1 909 92 94 TRP N N 118.503 0.3 1 910 92 94 TRP NE1 N 130.595 0.3 1 911 93 95 TYR H H 10.320 0.020 1 912 93 95 TYR HA H 5.349 0.020 1 913 93 95 TYR HB2 H 2.766 0.020 1 914 93 95 TYR HB3 H 2.766 0.020 1 915 93 95 TYR HD1 H 7.037 0.020 1 916 93 95 TYR HD2 H 7.037 0.020 1 917 93 95 TYR C C 173.110 0.3 1 918 93 95 TYR CA C 55.971 0.3 1 919 93 95 TYR CB C 42.367 0.3 1 920 93 95 TYR N N 122.008 0.3 1 921 94 96 TYR H H 10.738 0.020 1 922 94 96 TYR HA H 4.508 0.020 1 923 94 96 TYR HB2 H 3.000 0.020 2 924 94 96 TYR HB3 H 3.555 0.020 2 925 94 96 TYR HD1 H 7.221 0.020 1 926 94 96 TYR HD2 H 7.221 0.020 1 927 94 96 TYR C C 174.430 0.3 1 928 94 96 TYR CA C 60.245 0.3 1 929 94 96 TYR CB C 40.492 0.3 1 930 94 96 TYR N N 124.442 0.3 1 931 95 97 ASP H H 8.299 0.020 1 932 95 97 ASP HA H 4.622 0.020 1 933 95 97 ASP HB2 H 3.238 0.020 1 934 95 97 ASP HB3 H 3.238 0.020 1 935 95 97 ASP C C 177.462 0.3 1 936 95 97 ASP CA C 53.307 0.3 1 937 95 97 ASP CB C 41.517 0.3 1 938 95 97 ASP N N 128.392 0.3 1 939 96 98 THR H H 8.216 0.020 1 940 96 98 THR HA H 4.468 0.020 1 941 96 98 THR HB H 3.768 0.020 1 942 96 98 THR HG2 H 1.360 0.020 1 943 96 98 THR C C 176.310 0.3 1 944 96 98 THR CA C 65.803 0.3 1 945 96 98 THR CB C 69.231 0.3 1 946 96 98 THR CG2 C 23.954 0.3 1 947 96 98 THR N N 116.686 0.3 1 948 97 99 ASN H H 8.429 0.020 1 949 97 99 ASN HA H 4.662 0.020 1 950 97 99 ASN HB2 H 3.099 0.020 2 951 97 99 ASN HB3 H 2.818 0.020 2 952 97 99 ASN HD21 H 8.032 0.020 1 953 97 99 ASN HD22 H 7.082 0.020 1 954 97 99 ASN C C 176.624 0.3 1 955 97 99 ASN CA C 56.406 0.3 1 956 97 99 ASN CB C 38.991 0.3 1 957 97 99 ASN N N 117.639 0.3 1 958 97 99 ASN ND2 N 114.702 0.3 1 959 98 100 ASN H H 7.236 0.020 1 960 98 100 ASN HA H 4.949 0.020 1 961 98 100 ASN HB2 H 2.650 0.020 2 962 98 100 ASN HB3 H 2.796 0.020 2 963 98 100 ASN HD21 H 7.655 0.020 1 964 98 100 ASN HD22 H 6.965 0.020 1 965 98 100 ASN C C 175.087 0.3 1 966 98 100 ASN CA C 53.101 0.3 1 967 98 100 ASN CB C 40.580 0.3 1 968 98 100 ASN N N 112.306 0.3 1 969 98 100 ASN ND2 N 112.290 0.3 1 970 99 101 ALA H H 8.270 0.020 1 971 99 101 ALA HA H 3.849 0.020 1 972 99 101 ALA HB H 1.690 0.020 1 973 99 101 ALA C C 175.962 0.3 1 974 99 101 ALA CA C 54.019 0.3 1 975 99 101 ALA CB C 18.026 0.3 1 976 99 101 ALA N N 124.221 0.3 1 977 100 102 THR H H 7.239 0.020 1 978 100 102 THR HA H 4.737 0.020 1 979 100 102 THR HB H 4.027 0.020 1 980 100 102 THR HG2 H 1.256 0.020 1 981 100 102 THR C C 173.655 0.3 1 982 100 102 THR CA C 61.770 0.3 1 983 100 102 THR CB C 72.669 0.3 1 984 100 102 THR CG2 C 21.689 0.3 1 985 100 102 THR N N 109.183 0.3 1 986 101 103 CYS HA H 4.941 0.020 1 987 101 103 CYS HB2 H 3.332 0.020 2 988 101 103 CYS HB3 H 3.143 0.020 2 989 101 103 CYS C C 176.044 0.3 1 990 101 103 CYS CA C 52.479 0.3 1 991 101 103 CYS CB C 40.994 0.3 1 992 102 104 GLU H H 7.935 0.020 1 993 102 104 GLU HA H 4.250 0.020 1 994 102 104 GLU HB2 H 2.084 0.020 1 995 102 104 GLU HB3 H 2.084 0.020 1 996 102 104 GLU HG2 H 2.222 0.020 1 997 102 104 GLU HG3 H 2.222 0.020 1 998 102 104 GLU C C 178.072 0.3 1 999 102 104 GLU CA C 57.939 0.3 1 1000 102 104 GLU CB C 32.939 0.3 1 1001 102 104 GLU CG C 36.980 0.3 1 1002 102 104 GLU N N 112.145 0.3 1 1003 103 105 MET H H 8.419 0.020 1 1004 103 105 MET HA H 4.418 0.020 1 1005 103 105 MET HB2 H 1.554 0.020 1 1006 103 105 MET HB3 H 1.554 0.020 1 1007 103 105 MET HG2 H 1.930 0.020 1 1008 103 105 MET HG3 H 1.930 0.020 1 1009 103 105 MET HE H 0.997 0.020 1 1010 103 105 MET C C 176.914 0.3 1 1011 103 105 MET CA C 56.633 0.3 1 1012 103 105 MET CB C 34.951 0.3 1 1013 103 105 MET CG C 32.337 0.3 1 1014 103 105 MET CE C 21.510 0.3 1 1015 103 105 MET N N 121.877 0.3 1 1016 104 106 PHE H H 9.599 0.020 1 1017 104 106 PHE HA H 5.043 0.020 1 1018 104 106 PHE HB2 H 3.156 0.020 1 1019 104 106 PHE HB3 H 3.156 0.020 1 1020 104 106 PHE HD1 H 7.098 0.020 1 1021 104 106 PHE HD2 H 7.098 0.020 1 1022 104 106 PHE C C 172.876 0.3 1 1023 104 106 PHE CA C 56.231 0.3 1 1024 104 106 PHE CB C 42.467 0.3 1 1025 104 106 PHE N N 123.112 0.3 1 1026 105 107 THR H H 8.588 0.020 1 1027 105 107 THR HA H 4.177 0.020 1 1028 105 107 THR HB H 4.049 0.020 1 1029 105 107 THR HG2 H 1.167 0.020 1 1030 105 107 THR C C 173.668 0.3 1 1031 105 107 THR CA C 62.960 0.3 1 1032 105 107 THR CB C 69.338 0.3 1 1033 105 107 THR CG2 C 23.150 0.3 1 1034 105 107 THR N N 116.684 0.3 1 1035 106 108 TYR H H 9.170 0.020 1 1036 106 108 TYR HA H 4.930 0.020 1 1037 106 108 TYR HB2 H 2.947 0.020 1 1038 106 108 TYR HB3 H 2.947 0.020 1 1039 106 108 TYR HD1 H 7.179 0.020 1 1040 106 108 TYR HD2 H 7.179 0.020 1 1041 106 108 TYR C C 175.823 0.3 1 1042 106 108 TYR CA C 56.295 0.3 1 1043 106 108 TYR CB C 40.471 0.3 1 1044 106 108 TYR N N 130.214 0.3 1 1045 107 109 GLY H H 9.149 0.020 1 1046 107 109 GLY HA2 H 4.168 0.020 1 1047 107 109 GLY HA3 H 4.168 0.020 1 1048 107 109 GLY C C 175.750 0.3 1 1049 107 109 GLY CA C 45.374 0.3 1 1050 107 109 GLY N N 113.961 0.3 1 1051 108 110 GLY H H 7.660 0.020 1 1052 108 110 GLY HA2 H 4.044 0.020 1 1053 108 110 GLY HA3 H 4.044 0.020 1 1054 108 110 GLY C C 174.009 0.3 1 1055 108 110 GLY CA C 45.311 0.3 1 1056 108 110 GLY N N 108.066 0.3 1 1057 109 111 ILE H H 8.359 0.020 1 1058 109 111 ILE HA H 4.787 0.020 1 1059 109 111 ILE HB H 2.151 0.020 1 1060 109 111 ILE HG12 H 1.692 0.020 1 1061 109 111 ILE HG2 H 0.979 0.020 1 1062 109 111 ILE HD1 H 0.888 0.020 1 1063 109 111 ILE C C 177.297 0.3 1 1064 109 111 ILE CA C 54.908 0.3 1 1065 109 111 ILE CB C 30.355 0.3 1 1066 109 111 ILE CG1 C 27.881 0.3 1 1067 109 111 ILE CG2 C 18.295 0.3 1 1068 109 111 ILE CD1 C 12.991 0.3 1 1069 109 111 ILE N N 115.921 0.3 1 1070 110 112 THR HA H 4.033 0.020 1 1071 110 112 THR HB H 3.878 0.020 1 1072 110 112 THR HG2 H 1.462 0.020 1 1073 110 112 THR CA C 66.733 0.3 1 1074 110 112 THR CB C 69.864 0.3 1 1075 110 112 THR CG2 C 22.434 0.3 1 1076 111 113 GLY HA2 H 4.494 0.020 1 1077 111 113 GLY HA3 H 4.494 0.020 1 1078 111 113 GLY CA C 45.973 0.3 1 1079 112 114 ASN HA H 4.928 0.020 1 1080 112 114 ASN HB2 H 3.326 0.020 2 1081 112 114 ASN HB3 H 3.143 0.020 2 1082 112 114 ASN C C 176.044 0.3 1 1083 112 114 ASN CA C 52.527 0.3 1 1084 112 114 ASN CB C 40.689 0.3 1 1085 114 116 ASN HA H 4.707 0.020 1 1086 114 116 ASN HB2 H 3.278 0.020 2 1087 114 116 ASN HB3 H 2.907 0.020 2 1088 114 116 ASN C C 175.016 0.3 1 1089 114 116 ASN CA C 51.609 0.3 1 1090 114 116 ASN CB C 35.553 0.3 1 1091 115 117 ASN H H 6.348 0.020 1 1092 115 117 ASN HA H 4.865 0.020 1 1093 115 117 ASN HB2 H 2.661 0.020 1 1094 115 117 ASN HB3 H 2.661 0.020 1 1095 115 117 ASN HD21 H 7.308 0.020 1 1096 115 117 ASN HD22 H 6.754 0.020 1 1097 115 117 ASN C C 174.739 0.3 1 1098 115 117 ASN CA C 54.719 0.3 1 1099 115 117 ASN CB C 38.499 0.3 1 1100 115 117 ASN N N 117.782 0.3 1 1101 115 117 ASN ND2 N 111.661 0.3 1 1102 116 118 PHE H H 10.294 0.020 1 1103 116 118 PHE HA H 5.191 0.020 1 1104 116 118 PHE HB2 H 3.385 0.020 2 1105 116 118 PHE HB3 H 2.901 0.020 2 1106 116 118 PHE HD1 H 7.104 0.020 1 1107 116 118 PHE HD2 H 7.104 0.020 1 1108 116 118 PHE C C 176.880 0.3 1 1109 116 118 PHE CA C 56.712 0.3 1 1110 116 118 PHE CB C 43.446 0.3 1 1111 116 118 PHE N N 123.834 0.3 1 1112 117 119 GLU H H 9.530 0.020 1 1113 117 119 GLU HA H 4.395 0.020 1 1114 117 119 GLU HB2 H 2.390 0.020 1 1115 117 119 GLU HB3 H 2.390 0.020 1 1116 117 119 GLU HG2 H 2.359 0.020 1 1117 117 119 GLU HG3 H 2.359 0.020 1 1118 117 119 GLU C C 176.324 0.3 1 1119 117 119 GLU CA C 59.385 0.3 1 1120 117 119 GLU CB C 31.116 0.3 1 1121 117 119 GLU CG C 37.144 0.3 1 1122 117 119 GLU N N 120.248 0.3 1 1123 118 120 SER H H 7.610 0.020 1 1124 118 120 SER HA H 4.699 0.020 1 1125 118 120 SER HB2 H 4.031 0.020 1 1126 118 120 SER HB3 H 4.031 0.020 1 1127 118 120 SER C C 173.433 0.3 1 1128 118 120 SER CA C 56.990 0.3 1 1129 118 120 SER CB C 66.739 0.3 1 1130 118 120 SER N N 108.952 0.3 1 1131 119 121 GLU H H 7.967 0.020 1 1132 119 121 GLU HA H 4.500 0.020 1 1133 119 121 GLU HB2 H 2.572 0.020 1 1134 119 121 GLU HB3 H 2.572 0.020 1 1135 119 121 GLU HG2 H 2.380 0.020 2 1136 119 121 GLU HG3 H 2.290 0.020 2 1137 119 121 GLU C C 178.961 0.3 1 1138 119 121 GLU CA C 60.296 0.3 1 1139 119 121 GLU CB C 29.586 0.3 1 1140 119 121 GLU CG C 36.904 0.3 1 1141 119 121 GLU N N 123.040 0.3 1 1142 120 122 GLU H H 8.569 0.020 1 1143 120 122 GLU HA H 3.752 0.020 1 1144 120 122 GLU HB2 H 1.883 0.020 1 1145 120 122 GLU HB3 H 1.883 0.020 1 1146 120 122 GLU HG2 H 1.970 0.020 1 1147 120 122 GLU HG3 H 1.970 0.020 1 1148 120 122 GLU C C 179.064 0.3 1 1149 120 122 GLU CA C 60.880 0.3 1 1150 120 122 GLU CB C 29.802 0.3 1 1151 120 122 GLU CG C 37.155 0.3 1 1152 120 122 GLU N N 117.148 0.3 1 1153 121 123 GLU H H 7.926 0.020 1 1154 121 123 GLU HA H 4.004 0.020 1 1155 121 123 GLU HB2 H 2.201 0.020 1 1156 121 123 GLU HB3 H 2.201 0.020 1 1157 121 123 GLU HG2 H 2.270 0.020 1 1158 121 123 GLU HG3 H 2.270 0.020 1 1159 121 123 GLU C C 179.382 0.3 1 1160 121 123 GLU CA C 59.843 0.3 1 1161 121 123 GLU CB C 31.110 0.3 1 1162 121 123 GLU CG C 37.390 0.3 1 1163 121 123 GLU N N 119.647 0.3 1 1164 122 124 CYS H H 7.278 0.020 1 1165 122 124 CYS HA H 5.029 0.020 1 1166 122 124 CYS HB2 H 2.997 0.020 1 1167 122 124 CYS HB3 H 2.997 0.020 1 1168 122 124 CYS C C 175.323 0.3 1 1169 122 124 CYS CA C 60.566 0.3 1 1170 122 124 CYS CB C 43.230 0.3 1 1171 122 124 CYS N N 120.236 0.3 1 1172 123 125 LYS H H 8.664 0.020 1 1173 123 125 LYS HA H 3.881 0.020 1 1174 123 125 LYS HB2 H 1.766 0.020 1 1175 123 125 LYS HB3 H 1.766 0.020 1 1176 123 125 LYS HG2 H 1.533 0.020 1 1177 123 125 LYS HG3 H 1.533 0.020 1 1178 123 125 LYS HD2 H 1.632 0.020 1 1179 123 125 LYS HD3 H 1.632 0.020 1 1180 123 125 LYS HE2 H 3.102 0.020 1 1181 123 125 LYS HE3 H 3.102 0.020 1 1182 123 125 LYS C C 179.103 0.3 1 1183 123 125 LYS CA C 60.218 0.3 1 1184 123 125 LYS CB C 33.249 0.3 1 1185 123 125 LYS CG C 26.877 0.3 1 1186 123 125 LYS CD C 30.382 0.3 1 1187 123 125 LYS CE C 42.305 0.3 1 1188 123 125 LYS N N 120.498 0.3 1 1189 124 126 GLU H H 7.920 0.020 1 1190 124 126 GLU HA H 4.072 0.020 1 1191 124 126 GLU HB2 H 2.046 0.020 1 1192 124 126 GLU HB3 H 2.046 0.020 1 1193 124 126 GLU HG2 H 2.400 0.020 1 1194 124 126 GLU HG3 H 2.400 0.020 1 1195 124 126 GLU C C 178.743 0.3 1 1196 124 126 GLU CA C 58.647 0.3 1 1197 124 126 GLU CB C 30.683 0.3 1 1198 124 126 GLU CG C 37.134 0.3 1 1199 124 126 GLU N N 116.053 0.3 1 1200 125 127 THR H H 7.518 0.020 1 1201 125 127 THR HA H 4.384 0.020 1 1202 125 127 THR HB H 3.870 0.020 1 1203 125 127 THR HG2 H 1.468 0.020 1 1204 125 127 THR C C 175.907 0.3 1 1205 125 127 THR CA C 66.619 0.3 1 1206 125 127 THR CB C 69.966 0.3 1 1207 125 127 THR CG2 C 22.423 0.3 1 1208 125 127 THR N N 114.626 0.3 1 1209 126 128 CYS H H 8.171 0.020 1 1210 126 128 CYS HA H 4.852 0.020 1 1211 126 128 CYS HB2 H 2.230 0.020 2 1212 126 128 CYS HB3 H 1.952 0.020 2 1213 126 128 CYS C C 172.680 0.3 1 1214 126 128 CYS CA C 53.736 0.3 1 1215 126 128 CYS CB C 40.918 0.3 1 1216 126 128 CYS N N 119.659 0.3 1 1217 127 129 LYS H H 7.419 0.020 1 1218 127 129 LYS HA H 4.500 0.020 1 1219 127 129 LYS HB2 H 2.174 0.020 2 1220 127 129 LYS HB3 H 2.205 0.020 2 1221 127 129 LYS HG2 H 1.273 0.020 1 1222 127 129 LYS HG3 H 1.273 0.020 1 1223 127 129 LYS HD2 H 1.824 0.020 1 1224 127 129 LYS HD3 H 1.824 0.020 1 1225 127 129 LYS HE2 H 3.175 0.020 1 1226 127 129 LYS HE3 H 3.175 0.020 1 1227 127 129 LYS C C 176.265 0.3 1 1228 127 129 LYS CA C 56.787 0.3 1 1229 127 129 LYS CB C 34.127 0.3 1 1230 127 129 LYS CG C 23.563 0.3 1 1231 127 129 LYS CD C 30.440 0.3 1 1232 127 129 LYS CE C 43.125 0.3 1 1233 127 129 LYS N N 118.530 0.3 1 1234 128 130 GLY H H 8.458 0.020 1 1235 128 130 GLY HA2 H 3.804 0.020 2 1236 128 130 GLY HA3 H 3.570 0.020 2 1237 128 130 GLY C C 174.739 0.3 1 1238 128 130 GLY CA C 46.172 0.3 1 1239 128 130 GLY N N 106.413 0.3 1 1240 129 131 PHE H H 7.720 0.020 1 1241 129 131 PHE HA H 4.919 0.020 1 1242 129 131 PHE HB2 H 2.977 0.020 2 1243 129 131 PHE HB3 H 2.786 0.020 2 1244 129 131 PHE HD1 H 6.781 0.020 1 1245 129 131 PHE HD2 H 6.781 0.020 1 1246 129 131 PHE C C 176.379 0.3 1 1247 129 131 PHE CA C 58.305 0.3 1 1248 129 131 PHE CB C 39.783 0.3 1 1249 129 131 PHE N N 118.831 0.3 1 1250 130 132 SER H H 9.177 0.020 1 1251 130 132 SER HA H 4.941 0.020 1 1252 130 132 SER HB2 H 4.103 0.020 1 1253 130 132 SER HB3 H 4.103 0.020 1 1254 130 132 SER C C 174.156 0.3 1 1255 130 132 SER CA C 58.076 0.3 1 1256 130 132 SER CB C 66.021 0.3 1 1257 130 132 SER N N 117.651 0.3 1 1258 131 133 LEU H H 8.745 0.020 1 1259 131 133 LEU HA H 4.176 0.020 1 1260 131 133 LEU HB2 H 1.762 0.020 1 1261 131 133 LEU HB3 H 1.762 0.020 1 1262 131 133 LEU HG H 1.604 0.020 1 1263 131 133 LEU HD1 H 1.008 0.020 2 1264 131 133 LEU HD2 H 0.980 0.020 2 1265 131 133 LEU C C 177.732 0.3 1 1266 131 133 LEU CA C 58.175 0.3 1 1267 131 133 LEU CB C 44.291 0.3 1 1268 131 133 LEU CG C 28.009 0.3 1 1269 131 133 LEU CD1 C 25.477 0.3 1 1270 131 133 LEU CD2 C 25.400 0.3 1 1271 131 133 LEU N N 123.561 0.3 1 1272 132 134 LEU H H 7.719 0.020 1 1273 132 134 LEU HA H 4.922 0.020 1 1274 132 134 LEU HB2 H 1.667 0.020 1 1275 132 134 LEU HB3 H 1.667 0.020 1 1276 132 134 LEU HG H 1.597 0.020 1 1277 132 134 LEU HD1 H 1.364 0.020 1 1278 132 134 LEU C C 178.018 0.3 1 1279 132 134 LEU CA C 54.408 0.3 1 1280 132 134 LEU CB C 44.420 0.3 1 1281 132 134 LEU CG C 27.535 0.3 1 1282 132 134 LEU CD1 C 25.290 0.3 1 1283 132 134 LEU N N 115.053 0.3 1 1284 133 135 LYS H H 8.991 0.020 1 1285 133 135 LYS HA H 4.597 0.020 1 1286 133 135 LYS HB2 H 1.788 0.020 1 1287 133 135 LYS HB3 H 1.788 0.020 1 1288 133 135 LYS HG2 H 1.366 0.020 1 1289 133 135 LYS HG3 H 1.366 0.020 1 1290 133 135 LYS HD2 H 1.745 0.020 1 1291 133 135 LYS HD3 H 1.745 0.020 1 1292 133 135 LYS HE2 H 3.082 0.020 1 1293 133 135 LYS HE3 H 3.082 0.020 1 1294 133 135 LYS C C 176.325 0.3 1 1295 133 135 LYS CA C 56.129 0.3 1 1296 133 135 LYS CB C 35.193 0.3 1 1297 133 135 LYS CG C 25.331 0.3 1 1298 133 135 LYS CD C 30.361 0.3 1 1299 133 135 LYS CE C 42.907 0.3 1 1300 133 135 LYS N N 121.359 0.3 1 1301 134 136 LYS H H 8.606 0.020 1 1302 134 136 LYS HA H 4.517 0.020 1 1303 134 136 LYS HB2 H 1.922 0.020 1 1304 134 136 LYS HB3 H 1.922 0.020 1 1305 134 136 LYS HD2 H 1.379 0.020 1 1306 134 136 LYS HD3 H 1.379 0.020 1 1307 134 136 LYS HE2 H 2.939 0.020 1 1308 134 136 LYS HE3 H 2.939 0.020 1 1309 134 136 LYS C C 177.219 0.3 1 1310 134 136 LYS CA C 56.417 0.3 1 1311 134 136 LYS CB C 32.909 0.3 1 1312 134 136 LYS CG C 25.565 0.3 1 1313 134 136 LYS CD C 27.835 0.3 1 1314 134 136 LYS CE C 44.547 0.3 1 1315 134 136 LYS N N 124.038 0.3 1 1316 135 137 VAL H H 8.281 0.020 1 1317 135 137 VAL HA H 4.230 0.020 1 1318 135 137 VAL HB H 2.100 0.020 1 1319 135 137 VAL HG1 H 1.020 0.020 1 1320 135 137 VAL HG2 H 1.020 0.020 1 1321 135 137 VAL C C 176.268 0.3 1 1322 135 137 VAL CA C 62.877 0.3 1 1323 135 137 VAL CB C 33.922 0.3 1 1324 135 137 VAL CG1 C 21.785 0.3 1 1325 135 137 VAL CG2 C 20.560 0.3 1 1326 135 137 VAL N N 120.755 0.3 1 1327 136 138 ASN H H 8.639 0.020 1 1328 136 138 ASN HA H 4.824 0.020 1 1329 136 138 ASN HB2 H 2.821 0.020 1 1330 136 138 ASN HB3 H 2.821 0.020 1 1331 136 138 ASN HD21 H 7.665 0.020 1 1332 136 138 ASN HD22 H 7.014 0.020 1 1333 136 138 ASN C C 175.519 0.3 1 1334 136 138 ASN CA C 53.959 0.3 1 1335 136 138 ASN CB C 39.926 0.3 1 1336 136 138 ASN N N 122.739 0.3 1 1337 136 138 ASN ND2 N 112.780 0.3 1 1338 137 139 VAL H H 8.255 0.020 1 1339 137 139 VAL HA H 4.304 0.020 1 1340 137 139 VAL HB H 2.174 0.020 1 1341 137 139 VAL HG1 H 0.993 0.020 1 1342 137 139 VAL HG2 H 0.993 0.020 1 1343 137 139 VAL C C 176.810 0.3 1 1344 137 139 VAL CA C 62.879 0.3 1 1345 137 139 VAL CB C 34.221 0.3 1 1346 137 139 VAL CG1 C 21.803 0.3 1 1347 137 139 VAL CG2 C 20.876 0.3 1 1348 137 139 VAL N N 120.648 0.3 1 1349 138 140 THR H H 8.393 0.020 1 1350 138 140 THR HA H 4.457 0.020 1 1351 138 140 THR HB H 4.234 0.020 1 1352 138 140 THR HG2 H 1.270 0.020 1 1353 138 140 THR C C 174.754 0.3 1 1354 138 140 THR CA C 62.845 0.3 1 1355 138 140 THR CB C 70.736 0.3 1 1356 138 140 THR CG2 C 22.497 0.3 1 1357 138 140 THR N N 118.918 0.3 1 1358 139 141 ILE H H 8.327 0.020 1 1359 139 141 ILE HA H 4.297 0.020 1 1360 139 141 ILE HB H 1.957 0.020 1 1361 139 141 ILE HG12 H 1.242 0.020 1 1362 139 141 ILE HG13 H 1.242 0.020 1 1363 139 141 ILE HG2 H 1.063 0.020 1 1364 139 141 ILE HD1 H 0.933 0.020 1 1365 139 141 ILE C C 175.722 0.3 1 1366 139 141 ILE CA C 61.705 0.3 1 1367 139 141 ILE CB C 39.691 0.3 1 1368 139 141 ILE CG1 C 27.764 0.3 1 1369 139 141 ILE CG2 C 18.653 0.3 1 1370 139 141 ILE CD1 C 13.677 0.3 1 1371 139 141 ILE N N 123.870 0.3 1 1372 140 142 ASN H H 8.119 0.020 1 1373 140 142 ASN HA H 4.555 0.020 1 1374 140 142 ASN HB2 H 2.742 0.020 1 1375 140 142 ASN HB3 H 2.742 0.020 1 1376 140 142 ASN C C 180.020 0.3 1 1377 140 142 ASN CA C 55.619 0.3 1 1378 140 142 ASN CB C 41.535 0.3 1 1379 140 142 ASN N N 127.955 0.3 1 stop_ save_