data_27690 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; MtFKBP ; _BMRB_accession_number 27690 _BMRB_flat_file_name bmr27690.str _Entry_type original _Submission_date 2018-11-13 _Accession_date 2018-11-13 _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 Andrade Guilherme C. . 2 Silva Luis F.C. . 3 Oliveira Danielle M.P. . 4 Pires Jose R.M. . 5 Almeida Fabio C.L. . 6 Anobom Cristiane D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 681 "13C chemical shifts" 517 "15N chemical shifts" 133 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-04-04 update BMRB 'update entry citation' 2019-03-28 original author 'original release' stop_ _Original_release_date 2018-11-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone and side chain 1H, 15N and 13C assignments of a putative peptidyl prolyl cis-trans isomerase FKBP12 from Mycobacterium tuberculosis ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30879170 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Andrade Guilherme C. . 2 Silva Luis F.C. . 3 Oliveira Danielle M.P. . 4 Pires Jose R.M. . 5 Almeida Fabio C.L. . 6 Anobom Cristiane D. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 13 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 239 _Page_last 243 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'FKBP12 from M. tuberculosis monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'FKBP12 monomer' $MtFKBP 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_MtFKBP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MtFKBP _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 126 _Mol_residue_sequence ; GAMALERPEIDFPEGQPPEY LDITDITEGDGPEAVKGSNV SMHYVGVSWSTGEEFDASWN RGSTLDFTLGTGRVIKGWDM GIAGMKVGGRRKLVIPPHLA YGDRSPSPAIKPGETLIFVV DLVGVG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ALA 3 MET 4 ALA 5 LEU 6 GLU 7 ARG 8 PRO 9 GLU 10 ILE 11 ASP 12 PHE 13 PRO 14 GLU 15 GLY 16 GLN 17 PRO 18 PRO 19 GLU 20 TYR 21 LEU 22 ASP 23 ILE 24 THR 25 ASP 26 ILE 27 THR 28 GLU 29 GLY 30 ASP 31 GLY 32 PRO 33 GLU 34 ALA 35 VAL 36 LYS 37 GLY 38 SER 39 ASN 40 VAL 41 SER 42 MET 43 HIS 44 TYR 45 VAL 46 GLY 47 VAL 48 SER 49 TRP 50 SER 51 THR 52 GLY 53 GLU 54 GLU 55 PHE 56 ASP 57 ALA 58 SER 59 TRP 60 ASN 61 ARG 62 GLY 63 SER 64 THR 65 LEU 66 ASP 67 PHE 68 THR 69 LEU 70 GLY 71 THR 72 GLY 73 ARG 74 VAL 75 ILE 76 LYS 77 GLY 78 TRP 79 ASP 80 MET 81 GLY 82 ILE 83 ALA 84 GLY 85 MET 86 LYS 87 VAL 88 GLY 89 GLY 90 ARG 91 ARG 92 LYS 93 LEU 94 VAL 95 ILE 96 PRO 97 PRO 98 HIS 99 LEU 100 ALA 101 TYR 102 GLY 103 ASP 104 ARG 105 SER 106 PRO 107 SER 108 PRO 109 ALA 110 ILE 111 LYS 112 PRO 113 GLY 114 GLU 115 THR 116 LEU 117 ILE 118 PHE 119 VAL 120 VAL 121 ASP 122 LEU 123 VAL 124 GLY 125 VAL 126 GLY 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 $MtFKBP 'Mycobacterium tuberculosis' 1773 Bacteria Terrabacteria Mycobacterium tuberculosis 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 $MtFKBP 'recombinant technology' . Escherichia coli BL21(DE3) pET28-a 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 PMSF 2 mM 'natural abundance' EDTA 5 mM 'natural abundance' 'sodium azide' 5 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _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_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.22 . 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 _Correction_value DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 0.01590 DSS H 1 nitrogen ppm 0 internal direct . . . 1 0.06325 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 0.00641 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' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D CBCA(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'FKBP12 monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ALA HA H 4.428 . . 2 2 2 ALA HB H 1.468 . . 3 2 2 ALA C C 177.645 . . 4 2 2 ALA CA C 52.722 . . 5 2 2 ALA CB C 19.636 . . 6 3 3 MET H H 8.482 . . 7 3 3 MET HA H 4.523 . . 8 3 3 MET HB2 H 2.156 . . 9 3 3 MET HB3 H 2.080 . . 10 3 3 MET HG2 H 2.619 . . 11 3 3 MET HG3 H 2.683 . . 12 3 3 MET C C 175.684 . . 13 3 3 MET CA C 55.424 . . 14 3 3 MET CB C 33.377 . . 15 3 3 MET CG C 32.217 . . 16 3 3 MET N N 119.877 . . 17 4 4 ALA H H 8.442 . . 18 4 4 ALA HA H 4.395 . . 19 4 4 ALA HB H 1.438 . . 20 4 4 ALA C C 177.050 . . 21 4 4 ALA CA C 52.421 . . 22 4 4 ALA CB C 19.205 . . 23 4 4 ALA N N 126.157 . . 24 5 5 LEU H H 8.170 . . 25 5 5 LEU HA H 4.404 . . 26 5 5 LEU HB2 H 1.709 . . 27 5 5 LEU HB3 H 1.712 . . 28 5 5 LEU HG H 1.731 . . 29 5 5 LEU HD1 H 0.989 . . 30 5 5 LEU HD2 H 0.991 . . 31 5 5 LEU C C 176.207 . . 32 5 5 LEU CA C 55.064 . . 33 5 5 LEU CB C 43.619 . . 34 5 5 LEU CG C 27.126 . . 35 5 5 LEU CD1 C 24.688 . . 36 5 5 LEU CD2 C 24.707 . . 37 5 5 LEU N N 122.478 . . 38 6 6 GLU H H 8.338 . . 39 6 6 GLU HA H 4.325 . . 40 6 6 GLU HB2 H 1.743 . . 41 6 6 GLU HB3 H 1.898 . . 42 6 6 GLU HG2 H 2.147 . . 43 6 6 GLU HG3 H 2.200 . . 44 6 6 GLU C C 174.653 . . 45 6 6 GLU CA C 54.653 . . 46 6 6 GLU CB C 32.059 . . 47 6 6 GLU CG C 36.458 . . 48 6 6 GLU N N 122.901 . . 49 7 7 ARG H H 7.878 . . 50 7 7 ARG HA H 2.171 . . 51 7 7 ARG HB2 H 0.955 . . 52 7 7 ARG HB3 H 0.689 . . 53 7 7 ARG HG2 H 1.085 . . 54 7 7 ARG HG3 H 0.285 . . 55 7 7 ARG HD2 H 2.844 . . 56 7 7 ARG HD3 H 2.749 . . 57 7 7 ARG HE H 7.615 . . 58 7 7 ARG C C 174.280 . . 59 7 7 ARG CA C 53.974 . . 60 7 7 ARG CB C 30.663 . . 61 7 7 ARG CG C 25.973 . . 62 7 7 ARG CD C 43.666 . . 63 7 7 ARG N N 125.574 . . 64 7 7 ARG NE N 135.205 . . 65 8 8 PRO HA H 4.411 . . 66 8 8 PRO HB2 H 1.648 . . 67 8 8 PRO HB3 H 2.029 . . 68 8 8 PRO HG2 H 1.639 . . 69 8 8 PRO HG3 H 1.350 . . 70 8 8 PRO HD2 H 2.858 . . 71 8 8 PRO HD3 H 3.503 . . 72 8 8 PRO C C 174.854 . . 73 8 8 PRO CA C 62.718 . . 74 8 8 PRO CB C 32.439 . . 75 8 8 PRO CG C 26.842 . . 76 8 8 PRO CD C 50.694 . . 77 8 8 PRO N N 138.327 . . 78 9 9 GLU H H 8.133 . . 79 9 9 GLU HA H 4.404 . . 80 9 9 GLU HB2 H 1.899 . . 81 9 9 GLU HB3 H 1.786 . . 82 9 9 GLU HG2 H 2.154 . . 83 9 9 GLU HG3 H 2.094 . . 84 9 9 GLU C C 175.768 . . 85 9 9 GLU CA C 55.022 . . 86 9 9 GLU CB C 31.256 . . 87 9 9 GLU CG C 36.422 . . 88 9 9 GLU N N 119.174 . . 89 10 10 ILE H H 8.883 . . 90 10 10 ILE HA H 4.004 . . 91 10 10 ILE HB H 1.691 . . 92 10 10 ILE HG12 H 0.916 . . 93 10 10 ILE HG13 H 1.343 . . 94 10 10 ILE HG2 H 0.790 . . 95 10 10 ILE HD1 H 0.744 . . 96 10 10 ILE C C 175.318 . . 97 10 10 ILE CA C 61.213 . . 98 10 10 ILE CB C 39.003 . . 99 10 10 ILE CG1 C 28.569 . . 100 10 10 ILE CG2 C 17.421 . . 101 10 10 ILE CD1 C 13.895 . . 102 10 10 ILE N N 125.993 . . 103 11 11 ASP H H 8.295 . . 104 11 11 ASP HA H 4.473 . . 105 11 11 ASP HB2 H 2.424 . . 106 11 11 ASP HB3 H 2.636 . . 107 11 11 ASP C C 175.026 . . 108 11 11 ASP CA C 54.267 . . 109 11 11 ASP CB C 41.486 . . 110 11 11 ASP N N 127.904 . . 111 12 12 PHE H H 8.437 . . 112 12 12 PHE HA H 4.435 . . 113 12 12 PHE HB2 H 3.065 . . 114 12 12 PHE HB3 H 2.979 . . 115 12 12 PHE HD1 H 7.196 . . 116 12 12 PHE HD2 H 7.196 . . 117 12 12 PHE HE1 H 7.327 . . 118 12 12 PHE HE2 H 7.327 . . 119 12 12 PHE HZ H 6.917 . . 120 12 12 PHE C C 174.524 . . 121 12 12 PHE CA C 56.462 . . 122 12 12 PHE CB C 39.002 . . 123 12 12 PHE CD2 C 131.610 . . 124 12 12 PHE CE2 C 130.453 . . 125 12 12 PHE CZ C 130.861 . . 126 12 12 PHE N N 124.024 . . 127 13 13 PRO HA H 3.840 . . 128 13 13 PRO HB2 H 0.319 . . 129 13 13 PRO HB3 H 0.504 . . 130 13 13 PRO HG2 H 1.109 . . 131 13 13 PRO HG3 H 0.877 . . 132 13 13 PRO HD2 H 2.462 . . 133 13 13 PRO HD3 H 3.353 . . 134 13 13 PRO C C 174.894 . . 135 13 13 PRO CA C 62.300 . . 136 13 13 PRO CB C 30.464 . . 137 13 13 PRO CG C 27.663 . . 138 13 13 PRO CD C 50.220 . . 139 13 13 PRO N N 142.022 . . 140 14 14 GLU H H 7.816 . . 141 14 14 GLU HA H 4.517 . . 142 14 14 GLU HB2 H 1.933 . . 143 14 14 GLU HB3 H 2.062 . . 144 14 14 GLU HG2 H 2.256 . . 145 14 14 GLU HG3 H 2.322 . . 146 14 14 GLU C C 176.464 . . 147 14 14 GLU CA C 55.317 . . 148 14 14 GLU CB C 32.395 . . 149 14 14 GLU CG C 36.487 . . 150 14 14 GLU N N 120.856 . . 151 15 15 GLY H H 8.664 . . 152 15 15 GLY HA2 H 4.352 . . 153 15 15 GLY HA3 H 4.031 . . 154 15 15 GLY C C 173.991 . . 155 15 15 GLY CA C 44.855 . . 156 15 15 GLY N N 110.140 . . 157 16 16 GLN H H 8.687 . . 158 16 16 GLN HA H 4.742 . . 159 16 16 GLN HB2 H 2.095 . . 160 16 16 GLN HB3 H 1.985 . . 161 16 16 GLN HG2 H 2.511 . . 162 16 16 GLN HG3 H 2.511 . . 163 16 16 GLN HE21 H 7.728 . . 164 16 16 GLN HE22 H 6.971 . . 165 16 16 GLN C C 174.308 . . 166 16 16 GLN CA C 53.619 . . 167 16 16 GLN CB C 28.866 . . 168 16 16 GLN CG C 33.672 . . 169 16 16 GLN N N 120.901 . . 170 16 16 GLN NE2 N 112.963 . . 171 17 17 PRO HA H 3.135 . . 172 17 17 PRO HB2 H 1.261 . . 173 17 17 PRO HB3 H 0.142 . . 174 17 17 PRO HG2 H 1.238 . . 175 17 17 PRO HG3 H 1.651 . . 176 17 17 PRO HD2 H 3.345 . . 177 17 17 PRO HD3 H 3.553 . . 178 17 17 PRO CA C 60.804 . . 179 17 17 PRO CB C 29.843 . . 180 17 17 PRO CG C 26.006 . . 181 17 17 PRO CD C 50.151 . . 182 17 17 PRO N N 137.951 . . 183 18 18 PRO HA H 4.389 . . 184 18 18 PRO HB2 H 1.354 . . 185 18 18 PRO HB3 H 1.914 . . 186 18 18 PRO HG2 H 1.932 . . 187 18 18 PRO HG3 H 1.872 . . 188 18 18 PRO HD2 H 3.296 . . 189 18 18 PRO HD3 H 2.767 . . 190 18 18 PRO C C 176.561 . . 191 18 18 PRO CA C 62.223 . . 192 18 18 PRO CB C 31.462 . . 193 18 18 PRO CG C 27.181 . . 194 18 18 PRO CD C 50.103 . . 195 18 18 PRO N N 133.597 . . 196 19 19 GLU H H 8.631 . . 197 19 19 GLU HA H 4.209 . . 198 19 19 GLU HB2 H 1.915 . . 199 19 19 GLU HB3 H 2.203 . . 200 19 19 GLU HG2 H 2.362 . . 201 19 19 GLU HG3 H 2.362 . . 202 19 19 GLU C C 174.213 . . 203 19 19 GLU CA C 56.352 . . 204 19 19 GLU CB C 29.760 . . 205 19 19 GLU CG C 36.773 . . 206 19 19 GLU N N 118.497 . . 207 20 20 TYR H H 6.773 . . 208 20 20 TYR HA H 4.866 . . 209 20 20 TYR HB2 H 3.096 . . 210 20 20 TYR HB3 H 3.096 . . 211 20 20 TYR HD1 H 7.075 . . 212 20 20 TYR HD2 H 7.075 . . 213 20 20 TYR HE1 H 6.961 . . 214 20 20 TYR HE2 H 6.961 . . 215 20 20 TYR C C 172.645 . . 216 20 20 TYR CA C 53.800 . . 217 20 20 TYR CB C 40.880 . . 218 20 20 TYR CD2 C 134.114 . . 219 20 20 TYR CE2 C 118.147 . . 220 20 20 TYR N N 116.096 . . 221 21 21 LEU H H 8.259 . . 222 21 21 LEU HA H 4.621 . . 223 21 21 LEU HB2 H 1.322 . . 224 21 21 LEU HB3 H 2.054 . . 225 21 21 LEU HG H 1.036 . . 226 21 21 LEU HD1 H 1.067 . . 227 21 21 LEU HD2 H 1.065 . . 228 21 21 LEU C C 174.800 . . 229 21 21 LEU CA C 55.626 . . 230 21 21 LEU CB C 42.214 . . 231 21 21 LEU CG C 27.788 . . 232 21 21 LEU CD1 C 25.718 . . 233 21 21 LEU CD2 C 25.718 . . 234 21 21 LEU N N 118.605 . . 235 22 22 ASP H H 8.851 . . 236 22 22 ASP HA H 5.289 . . 237 22 22 ASP HB2 H 2.420 . . 238 22 22 ASP HB3 H 2.959 . . 239 22 22 ASP C C 175.423 . . 240 22 22 ASP CA C 53.751 . . 241 22 22 ASP CB C 44.669 . . 242 22 22 ASP N N 132.251 . . 243 23 23 ILE H H 8.596 . . 244 23 23 ILE HA H 4.913 . . 245 23 23 ILE HB H 1.868 . . 246 23 23 ILE HG12 H 1.031 . . 247 23 23 ILE HG13 H 1.679 . . 248 23 23 ILE HG2 H 0.887 . . 249 23 23 ILE HD1 H 1.045 . . 250 23 23 ILE C C 175.864 . . 251 23 23 ILE CA C 60.999 . . 252 23 23 ILE CB C 40.925 . . 253 23 23 ILE CG1 C 27.568 . . 254 23 23 ILE CG2 C 17.615 . . 255 23 23 ILE CD1 C 14.420 . . 256 23 23 ILE N N 127.659 . . 257 24 24 THR H H 9.067 . . 258 24 24 THR HA H 4.704 . . 259 24 24 THR HB H 4.066 . . 260 24 24 THR HG2 H 1.282 . . 261 24 24 THR C C 173.914 . . 262 24 24 THR CA C 61.518 . . 263 24 24 THR CB C 71.994 . . 264 24 24 THR CG2 C 21.693 . . 265 24 24 THR N N 122.524 . . 266 25 25 ASP H H 9.537 . . 267 25 25 ASP HA H 5.204 . . 268 25 25 ASP HB2 H 2.268 . . 269 25 25 ASP HB3 H 2.692 . . 270 25 25 ASP C C 174.889 . . 271 25 25 ASP CA C 56.144 . . 272 25 25 ASP CB C 41.279 . . 273 25 25 ASP N N 128.019 . . 274 26 26 ILE H H 8.685 . . 275 26 26 ILE HA H 4.043 . . 276 26 26 ILE HB H 1.591 . . 277 26 26 ILE HG12 H 1.340 . . 278 26 26 ILE HG13 H 1.629 . . 279 26 26 ILE HG2 H 1.062 . . 280 26 26 ILE HD1 H 0.941 . . 281 26 26 ILE C C 176.755 . . 282 26 26 ILE CA C 63.720 . . 283 26 26 ILE CB C 38.647 . . 284 26 26 ILE CG1 C 28.420 . . 285 26 26 ILE CG2 C 16.926 . . 286 26 26 ILE CD1 C 13.585 . . 287 26 26 ILE N N 128.978 . . 288 27 27 THR H H 8.340 . . 289 27 27 THR HA H 4.608 . . 290 27 27 THR HB H 4.085 . . 291 27 27 THR HG2 H 1.300 . . 292 27 27 THR C C 174.070 . . 293 27 27 THR CA C 61.432 . . 294 27 27 THR CB C 72.132 . . 295 27 27 THR CG2 C 22.889 . . 296 27 27 THR N N 112.982 . . 297 28 28 GLU H H 9.342 . . 298 28 28 GLU HA H 4.509 . . 299 28 28 GLU HB2 H 2.089 . . 300 28 28 GLU HB3 H 2.090 . . 301 28 28 GLU HG2 H 2.397 . . 302 28 28 GLU HG3 H 2.397 . . 303 28 28 GLU C C 176.862 . . 304 28 28 GLU CA C 56.309 . . 305 28 28 GLU CB C 30.604 . . 306 28 28 GLU CG C 36.810 . . 307 28 28 GLU N N 129.348 . . 308 29 29 GLY H H 9.058 . . 309 29 29 GLY HA2 H 3.504 . . 310 29 29 GLY HA3 H 3.873 . . 311 29 29 GLY C C 171.633 . . 312 29 29 GLY CA C 44.996 . . 313 29 29 GLY N N 113.080 . . 314 30 30 ASP H H 8.087 . . 315 30 30 ASP HA H 4.886 . . 316 30 30 ASP HB2 H 2.677 . . 317 30 30 ASP HB3 H 2.847 . . 318 30 30 ASP C C 176.877 . . 319 30 30 ASP CA C 53.116 . . 320 30 30 ASP CB C 42.394 . . 321 30 30 ASP N N 115.625 . . 322 31 31 GLY H H 8.354 . . 323 31 31 GLY C C 170.362 . . 324 31 31 GLY CA C 44.745 . . 325 31 31 GLY N N 110.056 . . 326 32 32 PRO HA H 4.339 . . 327 32 32 PRO HB2 H 1.712 . . 328 32 32 PRO HB3 H 2.397 . . 329 32 32 PRO HG2 H 2.122 . . 330 32 32 PRO HG3 H 2.062 . . 331 32 32 PRO HD2 H 3.720 . . 332 32 32 PRO HD3 H 3.502 . . 333 32 32 PRO C C 174.559 . . 334 32 32 PRO CA C 63.355 . . 335 32 32 PRO CB C 32.692 . . 336 32 32 PRO CG C 27.545 . . 337 32 32 PRO CD C 49.916 . . 338 32 32 PRO N N 132.162 . . 339 33 33 GLU H H 8.191 . . 340 33 33 GLU HA H 4.679 . . 341 33 33 GLU HB2 H 2.057 . . 342 33 33 GLU HB3 H 1.835 . . 343 33 33 GLU C C 175.952 . . 344 33 33 GLU CA C 54.836 . . 345 33 33 GLU CB C 31.823 . . 346 33 33 GLU CG C 36.326 . . 347 33 33 GLU N N 120.832 . . 348 34 34 ALA H H 8.921 . . 349 34 34 ALA HA H 4.292 . . 350 34 34 ALA HB H 1.243 . . 351 34 34 ALA C C 175.796 . . 352 34 34 ALA CA C 51.641 . . 353 34 34 ALA CB C 19.023 . . 354 34 34 ALA N N 126.508 . . 355 35 35 VAL H H 8.073 . . 356 35 35 VAL HA H 4.659 . . 357 35 35 VAL HB H 2.289 . . 358 35 35 VAL C C 175.499 . . 359 35 35 VAL CA C 58.715 . . 360 35 35 VAL CB C 35.751 . . 361 35 35 VAL CG1 C 21.649 . . 362 35 35 VAL CG2 C 20.043 . . 363 35 35 VAL N N 118.003 . . 364 36 36 LYS H H 8.639 . . 365 36 36 LYS HA H 3.738 . . 366 36 36 LYS HB2 H 1.790 . . 367 36 36 LYS HB3 H 1.868 . . 368 36 36 LYS HG2 H 1.580 . . 369 36 36 LYS HG3 H 1.423 . . 370 36 36 LYS HD2 H 1.899 . . 371 36 36 LYS HD3 H 1.815 . . 372 36 36 LYS HE2 H 3.078 . . 373 36 36 LYS HE3 H 3.077 . . 374 36 36 LYS C C 177.344 . . 375 36 36 LYS CA C 59.426 . . 376 36 36 LYS CB C 31.700 . . 377 36 36 LYS CG C 25.511 . . 378 36 36 LYS CD C 29.839 . . 379 36 36 LYS CE C 42.144 . . 380 36 36 LYS N N 122.881 . . 381 37 37 GLY H H 8.906 . . 382 37 37 GLY HA2 H 4.441 . . 383 37 37 GLY HA3 H 3.507 . . 384 37 37 GLY C C 174.484 . . 385 37 37 GLY CA C 45.084 . . 386 37 37 GLY N N 115.089 . . 387 38 38 SER H H 8.658 . . 388 38 38 SER HA H 4.498 . . 389 38 38 SER HB2 H 3.913 . . 390 38 38 SER HB3 H 3.914 . . 391 38 38 SER C C 172.985 . . 392 38 38 SER CA C 59.721 . . 393 38 38 SER CB C 64.354 . . 394 38 38 SER N N 118.017 . . 395 39 39 ASN H H 8.951 . . 396 39 39 ASN HA H 4.967 . . 397 39 39 ASN HB2 H 2.557 . . 398 39 39 ASN HB3 H 2.685 . . 399 39 39 ASN HD21 H 7.539 . . 400 39 39 ASN HD22 H 6.903 . . 401 39 39 ASN C C 174.939 . . 402 39 39 ASN CA C 53.132 . . 403 39 39 ASN CB C 38.105 . . 404 39 39 ASN N N 123.904 . . 405 39 39 ASN ND2 N 114.023 . . 406 40 40 VAL H H 8.757 . . 407 40 40 VAL HA H 4.863 . . 408 40 40 VAL HB H 1.829 . . 409 40 40 VAL HG1 H 0.150 . . 410 40 40 VAL HG2 H 0.781 . . 411 40 40 VAL C C 174.594 . . 412 40 40 VAL CA C 59.580 . . 413 40 40 VAL CB C 34.544 . . 414 40 40 VAL CG1 C 19.515 . . 415 40 40 VAL CG2 C 23.422 . . 416 40 40 VAL N N 119.214 . . 417 41 41 SER H H 7.923 . . 418 41 41 SER HA H 5.254 . . 419 41 41 SER HB2 H 3.434 . . 420 41 41 SER HB3 H 3.288 . . 421 41 41 SER C C 174.066 . . 422 41 41 SER CA C 57.016 . . 423 41 41 SER CB C 64.999 . . 424 41 41 SER N N 117.059 . . 425 42 42 MET H H 9.146 . . 426 42 42 MET HA H 5.756 . . 427 42 42 MET HB2 H 2.051 . . 428 42 42 MET HB3 H 2.309 . . 429 42 42 MET HG2 H 2.562 . . 430 42 42 MET HG3 H 2.584 . . 431 42 42 MET C C 175.970 . . 432 42 42 MET CA C 53.220 . . 433 42 42 MET CB C 34.987 . . 434 42 42 MET CG C 32.019 . . 435 42 42 MET N N 122.281 . . 436 43 43 HIS H H 8.938 . . 437 43 43 HIS HA H 5.463 . . 438 43 43 HIS HB2 H 2.578 . . 439 43 43 HIS HB3 H 2.702 . . 440 43 43 HIS C C 176.354 . . 441 43 43 HIS CA C 54.738 . . 442 43 43 HIS CB C 34.531 . . 443 43 43 HIS N N 119.820 . . 444 44 44 TYR H H 9.757 . . 445 44 44 TYR HA H 6.216 . . 446 44 44 TYR HB2 H 3.329 . . 447 44 44 TYR HB3 H 3.329 . . 448 44 44 TYR HD1 H 7.099 . . 449 44 44 TYR HD2 H 7.099 . . 450 44 44 TYR HE1 H 6.990 . . 451 44 44 TYR HE2 H 6.990 . . 452 44 44 TYR C C 173.872 . . 453 44 44 TYR CA C 57.362 . . 454 44 44 TYR CB C 43.179 . . 455 44 44 TYR CD2 C 133.323 . . 456 44 44 TYR CE2 C 118.274 . . 457 44 44 TYR N N 114.960 . . 458 45 45 VAL H H 8.292 . . 459 45 45 VAL HA H 4.489 . . 460 45 45 VAL HB H 1.913 . . 461 45 45 VAL HG1 H 1.009 . . 462 45 45 VAL HG2 H 1.107 . . 463 45 45 VAL C C 174.395 . . 464 45 45 VAL CA C 62.884 . . 465 45 45 VAL CB C 36.045 . . 466 45 45 VAL CG1 C 21.539 . . 467 45 45 VAL CG2 C 22.729 . . 468 45 45 VAL N N 119.294 . . 469 46 46 GLY H H 8.647 . . 470 46 46 GLY HA2 H 2.456 . . 471 46 46 GLY HA3 H 5.006 . . 472 46 46 GLY C C 171.380 . . 473 46 46 GLY CA C 45.243 . . 474 46 46 GLY N N 113.590 . . 475 47 47 VAL H H 9.386 . . 476 47 47 VAL HA H 4.842 . . 477 47 47 VAL HB H 1.664 . . 478 47 47 VAL HG1 H 0.772 . . 479 47 47 VAL HG2 H 0.608 . . 480 47 47 VAL C C 175.906 . . 481 47 47 VAL CA C 60.038 . . 482 47 47 VAL CB C 37.549 . . 483 47 47 VAL CG1 C 23.720 . . 484 47 47 VAL CG2 C 21.211 . . 485 47 47 VAL N N 125.337 . . 486 48 48 SER H H 8.253 . . 487 48 48 SER HA H 4.763 . . 488 48 48 SER HB2 H 4.214 . . 489 48 48 SER HB3 H 4.218 . . 490 48 48 SER C C 174.649 . . 491 48 48 SER CA C 59.271 . . 492 48 48 SER CB C 64.520 . . 493 48 48 SER N N 124.399 . . 494 49 49 TRP H H 9.312 . . 495 49 49 TRP HA H 3.702 . . 496 49 49 TRP HB2 H 3.224 . . 497 49 49 TRP HB3 H 3.556 . . 498 49 49 TRP HD1 H 7.224 . . 499 49 49 TRP HE1 H 10.730 . . 500 49 49 TRP HE3 H 7.471 . . 501 49 49 TRP HZ2 H 7.347 . . 502 49 49 TRP HZ3 H 6.899 . . 503 49 49 TRP HH2 H 6.705 . . 504 49 49 TRP C C 177.266 . . 505 49 49 TRP CA C 61.992 . . 506 49 49 TRP CB C 29.080 . . 507 49 49 TRP CD1 C 125.908 . . 508 49 49 TRP CE3 C 119.821 . . 509 49 49 TRP CZ2 C 113.771 . . 510 49 49 TRP CZ3 C 122.073 . . 511 49 49 TRP CH2 C 125.056 . . 512 49 49 TRP N N 127.512 . . 513 49 49 TRP NE1 N 130.682 . . 514 50 50 SER H H 8.767 . . 515 50 50 SER HA H 4.459 . . 516 50 50 SER HB2 H 4.162 . . 517 50 50 SER HB3 H 4.173 . . 518 50 50 SER C C 175.858 . . 519 50 50 SER CA C 62.863 . . 520 50 50 SER N N 107.868 . . 521 51 51 THR H H 6.914 . . 522 51 51 THR HA H 4.725 . . 523 51 51 THR HB H 4.456 . . 524 51 51 THR HG2 H 1.381 . . 525 51 51 THR C C 176.020 . . 526 51 51 THR CA C 60.766 . . 527 51 51 THR CB C 71.155 . . 528 51 51 THR CG2 C 22.289 . . 529 51 51 THR N N 106.647 . . 530 52 52 GLY H H 8.230 . . 531 52 52 GLY HA2 H 3.871 . . 532 52 52 GLY HA3 H 3.186 . . 533 52 52 GLY C C 172.837 . . 534 52 52 GLY CA C 46.071 . . 535 52 52 GLY N N 111.412 . . 536 53 53 GLU H H 7.832 . . 537 53 53 GLU HA H 4.418 . . 538 53 53 GLU HB2 H 2.064 . . 539 53 53 GLU HB3 H 1.972 . . 540 53 53 GLU HG2 H 2.269 . . 541 53 53 GLU HG3 H 2.345 . . 542 53 53 GLU C C 176.810 . . 543 53 53 GLU CA C 55.744 . . 544 53 53 GLU CB C 31.346 . . 545 53 53 GLU CG C 36.367 . . 546 53 53 GLU N N 119.017 . . 547 54 54 GLU H H 9.038 . . 548 54 54 GLU HA H 4.889 . . 549 54 54 GLU HB2 H 1.939 . . 550 54 54 GLU HB3 H 1.938 . . 551 54 54 GLU HG2 H 2.327 . . 552 54 54 GLU HG3 H 2.327 . . 553 54 54 GLU C C 176.890 . . 554 54 54 GLU CA C 56.100 . . 555 54 54 GLU CB C 30.481 . . 556 54 54 GLU CG C 37.232 . . 557 54 54 GLU N N 125.883 . . 558 55 55 PHE H H 8.248 . . 559 55 55 PHE HA H 4.972 . . 560 55 55 PHE HB2 H 2.996 . . 561 55 55 PHE HB3 H 3.212 . . 562 55 55 PHE HD1 H 7.255 . . 563 55 55 PHE HD2 H 7.255 . . 564 55 55 PHE C C 175.270 . . 565 55 55 PHE CA C 56.452 . . 566 55 55 PHE CB C 40.214 . . 567 55 55 PHE CD2 C 130.980 . . 568 55 55 PHE N N 122.523 . . 569 56 56 ASP H H 7.083 . . 570 56 56 ASP HA H 4.895 . . 571 56 56 ASP HB2 H 2.585 . . 572 56 56 ASP HB3 H 3.654 . . 573 56 56 ASP C C 173.202 . . 574 56 56 ASP CA C 54.707 . . 575 56 56 ASP CB C 44.099 . . 576 56 56 ASP N N 118.639 . . 577 57 57 ALA H H 8.063 . . 578 57 57 ALA HA H 4.645 . . 579 57 57 ALA HB H 1.651 . . 580 57 57 ALA C C 177.730 . . 581 57 57 ALA CA C 52.225 . . 582 57 57 ALA CB C 22.268 . . 583 57 57 ALA N N 121.643 . . 584 58 58 SER H H 7.938 . . 585 58 58 SER HA H 4.696 . . 586 58 58 SER HB2 H 3.801 . . 587 58 58 SER HB3 H 4.159 . . 588 58 58 SER C C 178.683 . . 589 58 58 SER CA C 61.793 . . 590 58 58 SER CB C 59.255 . . 591 58 58 SER N N 123.502 . . 592 59 59 TRP H H 6.935 . . 593 59 59 TRP HA H 3.800 . . 594 59 59 TRP HB2 H 2.543 . . 595 59 59 TRP HB3 H 3.567 . . 596 59 59 TRP HD1 H 7.226 . . 597 59 59 TRP HE1 H 9.939 . . 598 59 59 TRP HE3 H 7.242 . . 599 59 59 TRP HZ2 H 7.094 . . 600 59 59 TRP HZ3 H 7.112 . . 601 59 59 TRP HH2 H 7.297 . . 602 59 59 TRP C C 177.267 . . 603 59 59 TRP CA C 58.202 . . 604 59 59 TRP CB C 30.236 . . 605 59 59 TRP CD1 C 124.295 . . 606 59 59 TRP CE3 C 119.061 . . 607 59 59 TRP CZ2 C 115.239 . . 608 59 59 TRP CZ3 C 121.804 . . 609 59 59 TRP CH2 C 124.689 . . 610 59 59 TRP N N 120.758 . . 611 59 59 TRP NE1 N 130.183 . . 612 60 60 ASN H H 7.428 . . 613 60 60 ASN HA H 4.685 . . 614 60 60 ASN HB2 H 3.157 . . 615 60 60 ASN HB3 H 3.157 . . 616 60 60 ASN HD21 H 8.050 . . 617 60 60 ASN HD22 H 7.947 . . 618 60 60 ASN C C 176.314 . . 619 60 60 ASN CA C 55.368 . . 620 60 60 ASN CB C 37.864 . . 621 60 60 ASN N N 115.163 . . 622 60 60 ASN ND2 N 115.009 . . 623 61 61 ARG H H 7.815 . . 624 61 61 ARG HA H 4.652 . . 625 61 61 ARG HB2 H 2.126 . . 626 61 61 ARG HB3 H 2.126 . . 627 61 61 ARG HG2 H 1.795 . . 628 61 61 ARG HG3 H 1.795 . . 629 61 61 ARG HD2 H 3.520 . . 630 61 61 ARG HD3 H 3.332 . . 631 61 61 ARG C C 177.369 . . 632 61 61 ARG CA C 56.407 . . 633 61 61 ARG CB C 31.900 . . 634 61 61 ARG CG C 28.720 . . 635 61 61 ARG CD C 43.193 . . 636 61 61 ARG N N 116.696 . . 637 62 62 GLY H H 7.914 . . 638 62 62 GLY HA2 H 4.276 . . 639 62 62 GLY HA3 H 3.902 . . 640 62 62 GLY C C 173.381 . . 641 62 62 GLY CA C 46.227 . . 642 62 62 GLY N N 106.741 . . 643 63 63 SER H H 7.161 . . 644 63 63 SER HA H 4.863 . . 645 63 63 SER HB2 H 3.818 . . 646 63 63 SER HB3 H 3.821 . . 647 63 63 SER C C 173.552 . . 648 63 63 SER CA C 56.556 . . 649 63 63 SER CB C 65.593 . . 650 63 63 SER N N 111.447 . . 651 64 64 THR H H 7.877 . . 652 64 64 THR HA H 3.924 . . 653 64 64 THR HB H 3.689 . . 654 64 64 THR HG2 H 0.278 . . 655 64 64 THR C C 174.409 . . 656 64 64 THR CA C 61.441 . . 657 64 64 THR CB C 69.653 . . 658 64 64 THR CG2 C 21.419 . . 659 64 64 THR N N 112.896 . . 660 65 65 LEU H H 9.159 . . 661 65 65 LEU HA H 4.787 . . 662 65 65 LEU HB2 H 2.158 . . 663 65 65 LEU HB3 H 1.809 . . 664 65 65 LEU HD1 H 0.937 . . 665 65 65 LEU HD2 H 1.115 . . 666 65 65 LEU C C 174.641 . . 667 65 65 LEU CA C 54.848 . . 668 65 65 LEU CB C 44.247 . . 669 65 65 LEU CG C 28.321 . . 670 65 65 LEU CD1 C 24.125 . . 671 65 65 LEU CD2 C 24.125 . . 672 65 65 LEU N N 123.562 . . 673 66 66 ASP H H 8.437 . . 674 66 66 ASP HA H 6.099 . . 675 66 66 ASP HB2 H 2.661 . . 676 66 66 ASP HB3 H 2.661 . . 677 66 66 ASP C C 175.759 . . 678 66 66 ASP CA C 52.216 . . 679 66 66 ASP CB C 41.577 . . 680 66 66 ASP N N 128.436 . . 681 67 67 PHE H H 8.418 . . 682 67 67 PHE HA H 4.948 . . 683 67 67 PHE HB2 H 2.864 . . 684 67 67 PHE HB3 H 3.296 . . 685 67 67 PHE HD1 H 6.925 . . 686 67 67 PHE HD2 H 6.925 . . 687 67 67 PHE HE1 H 7.257 . . 688 67 67 PHE HE2 H 7.257 . . 689 67 67 PHE HZ H 7.007 . . 690 67 67 PHE C C 172.573 . . 691 67 67 PHE CA C 56.432 . . 692 67 67 PHE CB C 40.157 . . 693 67 67 PHE CD2 C 132.488 . . 694 67 67 PHE CE2 C 130.043 . . 695 67 67 PHE CZ C 128.972 . . 696 67 67 PHE N N 119.293 . . 697 68 68 THR H H 8.749 . . 698 68 68 THR HA H 4.803 . . 699 68 68 THR HB H 3.928 . . 700 68 68 THR HG2 H 1.131 . . 701 68 68 THR C C 174.800 . . 702 68 68 THR CA C 62.154 . . 703 68 68 THR CB C 68.721 . . 704 68 68 THR CG2 C 22.476 . . 705 68 68 THR N N 116.853 . . 706 69 69 LEU H H 9.163 . . 707 69 69 LEU HA H 4.276 . . 708 69 69 LEU HB2 H 1.320 . . 709 69 69 LEU HB3 H 2.143 . . 710 69 69 LEU HG H 1.718 . . 711 69 69 LEU HD1 H 0.722 . . 712 69 69 LEU HD2 H 1.300 . . 713 69 69 LEU C C 177.419 . . 714 69 69 LEU CA C 56.629 . . 715 69 69 LEU CB C 42.775 . . 716 69 69 LEU CG C 26.672 . . 717 69 69 LEU CD1 C 25.659 . . 718 69 69 LEU CD2 C 25.658 . . 719 69 69 LEU N N 133.701 . . 720 70 70 GLY H H 9.482 . . 721 70 70 GLY HA2 H 4.242 . . 722 70 70 GLY HA3 H 3.748 . . 723 70 70 GLY C C 174.671 . . 724 70 70 GLY CA C 46.717 . . 725 70 70 GLY N N 115.449 . . 726 71 71 THR H H 8.355 . . 727 71 71 THR HA H 4.651 . . 728 71 71 THR HB H 3.853 . . 729 71 71 THR C C 175.437 . . 730 71 71 THR CA C 60.905 . . 731 71 71 THR CB C 70.531 . . 732 71 71 THR CG2 C 22.185 . . 733 71 71 THR N N 108.414 . . 734 72 72 GLY H H 9.081 . . 735 72 72 GLY HA2 H 4.102 . . 736 72 72 GLY HA3 H 4.213 . . 737 72 72 GLY C C 175.499 . . 738 72 72 GLY CA C 46.400 . . 739 72 72 GLY N N 113.148 . . 740 73 73 ARG H H 8.883 . . 741 73 73 ARG HA H 4.234 . . 742 73 73 ARG HB2 H 1.846 . . 743 73 73 ARG HB3 H 2.008 . . 744 73 73 ARG HG2 H 1.233 . . 745 73 73 ARG HG3 H 1.231 . . 746 73 73 ARG HD2 H 3.301 . . 747 73 73 ARG HD3 H 3.301 . . 748 73 73 ARG C C 175.426 . . 749 73 73 ARG CA C 56.396 . . 750 73 73 ARG CB C 30.613 . . 751 73 73 ARG CG C 27.090 . . 752 73 73 ARG CD C 42.917 . . 753 73 73 ARG N N 120.085 . . 754 74 74 VAL H H 6.869 . . 755 74 74 VAL HA H 4.243 . . 756 74 74 VAL HB H 1.574 . . 757 74 74 VAL HG1 H 0.578 . . 758 74 74 VAL HG2 H -0.181 . . 759 74 74 VAL C C 175.110 . . 760 74 74 VAL CA C 58.112 . . 761 74 74 VAL CB C 35.362 . . 762 74 74 VAL CG1 C 18.734 . . 763 74 74 VAL CG2 C 20.635 . . 764 74 74 VAL N N 109.223 . . 765 75 75 ILE H H 7.159 . . 766 75 75 ILE HA H 3.906 . . 767 75 75 ILE HB H 2.024 . . 768 75 75 ILE HG12 H 0.364 . . 769 75 75 ILE HG13 H 0.973 . . 770 75 75 ILE HG2 H 0.201 . . 771 75 75 ILE HD1 H 0.495 . . 772 75 75 ILE C C 177.196 . . 773 75 75 ILE CA C 61.833 . . 774 75 75 ILE CB C 38.234 . . 775 75 75 ILE CG1 C 24.479 . . 776 75 75 ILE CG2 C 17.804 . . 777 75 75 ILE CD1 C 14.355 . . 778 75 75 ILE N N 111.693 . . 779 76 76 LYS H H 8.917 . . 780 76 76 LYS HA H 4.269 . . 781 76 76 LYS HB2 H 1.817 . . 782 76 76 LYS HB3 H 1.817 . . 783 76 76 LYS HG2 H 1.629 . . 784 76 76 LYS HG3 H 1.630 . . 785 76 76 LYS HD2 H 2.024 . . 786 76 76 LYS HD3 H 1.829 . . 787 76 76 LYS HE2 H 3.103 . . 788 76 76 LYS HE3 H 3.099 . . 789 76 76 LYS C C 179.744 . . 790 76 76 LYS CA C 59.908 . . 791 76 76 LYS CB C 32.959 . . 792 76 76 LYS CG C 25.914 . . 793 76 76 LYS CD C 29.641 . . 794 76 76 LYS CE C 42.281 . . 795 76 76 LYS N N 125.503 . . 796 77 77 GLY H H 9.501 . . 797 77 77 GLY HA2 H 3.980 . . 798 77 77 GLY HA3 H 3.704 . . 799 77 77 GLY C C 175.681 . . 800 77 77 GLY CA C 47.502 . . 801 77 77 GLY N N 101.335 . . 802 78 78 TRP H H 7.727 . . 803 78 78 TRP HA H 4.376 . . 804 78 78 TRP HB2 H 3.203 . . 805 78 78 TRP HB3 H 2.910 . . 806 78 78 TRP HD1 H 6.270 . . 807 78 78 TRP HE1 H 5.461 . . 808 78 78 TRP HZ2 H 7.550 . . 809 78 78 TRP C C 176.861 . . 810 78 78 TRP CA C 60.215 . . 811 78 78 TRP CB C 29.300 . . 812 78 78 TRP CD1 C 120.687 . . 813 78 78 TRP CZ2 C 114.652 . . 814 78 78 TRP N N 119.809 . . 815 78 78 TRP NE1 N 118.640 . . 816 79 79 ASP H H 7.197 . . 817 79 79 ASP HA H 4.866 . . 818 79 79 ASP HB2 H 2.772 . . 819 79 79 ASP HB3 H 2.773 . . 820 79 79 ASP C C 178.882 . . 821 79 79 ASP CA C 57.724 . . 822 79 79 ASP CB C 40.730 . . 823 79 79 ASP N N 120.509 . . 824 80 80 MET H H 8.422 . . 825 80 80 MET HA H 4.277 . . 826 80 80 MET HB2 H 2.232 . . 827 80 80 MET HB3 H 1.869 . . 828 80 80 MET HG2 H 2.758 . . 829 80 80 MET HG3 H 2.641 . . 830 80 80 MET C C 178.633 . . 831 80 80 MET CA C 57.640 . . 832 80 80 MET CB C 35.729 . . 833 80 80 MET CG C 31.913 . . 834 80 80 MET N N 112.754 . . 835 81 81 GLY H H 7.833 . . 836 81 81 GLY HA2 H 4.135 . . 837 81 81 GLY HA3 H 3.817 . . 838 81 81 GLY C C 173.444 . . 839 81 81 GLY CA C 46.299 . . 840 81 81 GLY N N 106.233 . . 841 82 82 ILE H H 8.226 . . 842 82 82 ILE HA H 3.766 . . 843 82 82 ILE HB H 1.866 . . 844 82 82 ILE HG12 H 0.892 . . 845 82 82 ILE HG13 H 1.530 . . 846 82 82 ILE HG2 H 0.919 . . 847 82 82 ILE HD1 H 0.517 . . 848 82 82 ILE C C 174.981 . . 849 82 82 ILE CA C 62.892 . . 850 82 82 ILE CB C 37.967 . . 851 82 82 ILE CG1 C 30.688 . . 852 82 82 ILE CG2 C 17.037 . . 853 82 82 ILE CD1 C 14.163 . . 854 82 82 ILE N N 119.625 . . 855 83 83 ALA H H 6.379 . . 856 83 83 ALA HA H 3.829 . . 857 83 83 ALA HB H 1.428 . . 858 83 83 ALA C C 178.202 . . 859 83 83 ALA CA C 53.577 . . 860 83 83 ALA CB C 17.548 . . 861 83 83 ALA N N 119.702 . . 862 84 84 GLY H H 9.076 . . 863 84 84 GLY HA2 H 3.971 . . 864 84 84 GLY HA3 H 4.684 . . 865 84 84 GLY C C 176.234 . . 866 84 84 GLY CA C 44.867 . . 867 84 84 GLY N N 112.344 . . 868 85 85 MET H H 8.128 . . 869 85 85 MET HA H 4.131 . . 870 85 85 MET HB2 H 2.046 . . 871 85 85 MET HB3 H 2.045 . . 872 85 85 MET HG2 H 2.284 . . 873 85 85 MET HG3 H 2.925 . . 874 85 85 MET HE H 1.579 . . 875 85 85 MET C C 173.202 . . 876 85 85 MET CA C 58.187 . . 877 85 85 MET CB C 35.543 . . 878 85 85 MET CG C 33.348 . . 879 85 85 MET CE C 19.628 . . 880 85 85 MET N N 119.989 . . 881 86 86 LYS H H 8.515 . . 882 86 86 LYS HA H 5.025 . . 883 86 86 LYS HB2 H 1.751 . . 884 86 86 LYS HB3 H 1.089 . . 885 86 86 LYS HG2 H 1.114 . . 886 86 86 LYS HG3 H 1.113 . . 887 86 86 LYS HD2 H 1.256 . . 888 86 86 LYS HD3 H 1.325 . . 889 86 86 LYS HE2 H 3.028 . . 890 86 86 LYS HE3 H 3.028 . . 891 86 86 LYS C C 177.820 . . 892 86 86 LYS CA C 54.296 . . 893 86 86 LYS CB C 35.035 . . 894 86 86 LYS CG C 23.664 . . 895 86 86 LYS CD C 26.125 . . 896 86 86 LYS CE C 42.264 . . 897 86 86 LYS N N 120.037 . . 898 87 87 VAL H H 8.269 . . 899 87 87 VAL HA H 3.333 . . 900 87 87 VAL HB H 1.833 . . 901 87 87 VAL HG1 H 1.133 . . 902 87 87 VAL HG2 H 1.034 . . 903 87 87 VAL C C 176.251 . . 904 87 87 VAL CA C 66.584 . . 905 87 87 VAL CB C 31.852 . . 906 87 87 VAL CG1 C 21.897 . . 907 87 87 VAL CG2 C 24.143 . . 908 87 87 VAL N N 122.604 . . 909 88 88 GLY H H 8.643 . . 910 88 88 GLY HA2 H 4.825 . . 911 88 88 GLY HA3 H 3.856 . . 912 88 88 GLY C C 175.807 . . 913 88 88 GLY CA C 44.551 . . 914 88 88 GLY N N 114.787 . . 915 89 89 GLY H H 9.234 . . 916 89 89 GLY HA2 H 4.089 . . 917 89 89 GLY HA3 H 3.669 . . 918 89 89 GLY C C 171.786 . . 919 89 89 GLY CA C 45.542 . . 920 89 89 GLY N N 110.700 . . 921 90 90 ARG H H 8.656 . . 922 90 90 ARG HA H 5.779 . . 923 90 90 ARG HB2 H 1.764 . . 924 90 90 ARG HB3 H 2.165 . . 925 90 90 ARG HG2 H 1.490 . . 926 90 90 ARG HG3 H 1.428 . . 927 90 90 ARG HD2 H 3.136 . . 928 90 90 ARG HD3 H 3.063 . . 929 90 90 ARG HE H 10.525 . . 930 90 90 ARG C C 174.890 . . 931 90 90 ARG CA C 55.142 . . 932 90 90 ARG CB C 34.269 . . 933 90 90 ARG CG C 27.461 . . 934 90 90 ARG CD C 43.127 . . 935 90 90 ARG N N 122.822 . . 936 90 90 ARG NE N 137.303 . . 937 91 91 ARG H H 9.504 . . 938 91 91 ARG HA H 5.319 . . 939 91 91 ARG HB2 H 1.943 . . 940 91 91 ARG HB3 H 2.168 . . 941 91 91 ARG HG2 H 1.579 . . 942 91 91 ARG HG3 H 1.554 . . 943 91 91 ARG HD2 H 3.296 . . 944 91 91 ARG HD3 H 3.193 . . 945 91 91 ARG HE H 8.401 . . 946 91 91 ARG C C 172.812 . . 947 91 91 ARG CA C 55.047 . . 948 91 91 ARG CB C 36.387 . . 949 91 91 ARG CG C 27.240 . . 950 91 91 ARG CD C 43.902 . . 951 91 91 ARG N N 130.789 . . 952 91 91 ARG NE N 134.956 . . 953 92 92 LYS H H 9.721 . . 954 92 92 LYS HA H 5.612 . . 955 92 92 LYS HB2 H 2.117 . . 956 92 92 LYS HB3 H 1.684 . . 957 92 92 LYS HG2 H 1.454 . . 958 92 92 LYS HG3 H 1.452 . . 959 92 92 LYS HD2 H 1.751 . . 960 92 92 LYS HD3 H 1.749 . . 961 92 92 LYS HE2 H 2.846 . . 962 92 92 LYS HE3 H 2.846 . . 963 92 92 LYS C C 174.746 . . 964 92 92 LYS CA C 54.739 . . 965 92 92 LYS CB C 35.224 . . 966 92 92 LYS CG C 25.155 . . 967 92 92 LYS CD C 29.941 . . 968 92 92 LYS CE C 41.858 . . 969 92 92 LYS N N 127.986 . . 970 93 93 LEU H H 9.749 . . 971 93 93 LEU HA H 5.396 . . 972 93 93 LEU HB2 H 1.356 . . 973 93 93 LEU HB3 H 2.041 . . 974 93 93 LEU HG H 1.654 . . 975 93 93 LEU HD1 H 0.937 . . 976 93 93 LEU HD2 H 0.720 . . 977 93 93 LEU C C 175.396 . . 978 93 93 LEU CA C 53.119 . . 979 93 93 LEU CB C 46.176 . . 980 93 93 LEU CG C 27.440 . . 981 93 93 LEU CD1 C 26.155 . . 982 93 93 LEU CD2 C 26.155 . . 983 93 93 LEU N N 126.745 . . 984 94 94 VAL H H 9.073 . . 985 94 94 VAL HA H 5.057 . . 986 94 94 VAL HB H 2.370 . . 987 94 94 VAL HG1 H 1.047 . . 988 94 94 VAL HG2 H 1.348 . . 989 94 94 VAL C C 175.235 . . 990 94 94 VAL CA C 62.894 . . 991 94 94 VAL CB C 32.448 . . 992 94 94 VAL CG1 C 21.103 . . 993 94 94 VAL CG2 C 23.626 . . 994 94 94 VAL N N 124.679 . . 995 95 95 ILE H H 9.799 . . 996 95 95 ILE HA H 4.631 . . 997 95 95 ILE HB H 2.117 . . 998 95 95 ILE HG12 H 1.961 . . 999 95 95 ILE HG13 H 0.912 . . 1000 95 95 ILE HG2 H 1.004 . . 1001 95 95 ILE HD1 H 1.043 . . 1002 95 95 ILE C C 172.493 . . 1003 95 95 ILE CA C 59.195 . . 1004 95 95 ILE CB C 40.278 . . 1005 95 95 ILE CG1 C 26.601 . . 1006 95 95 ILE CG2 C 20.454 . . 1007 95 95 ILE CD1 C 15.612 . . 1008 95 95 ILE N N 125.365 . . 1009 96 96 PRO HA H 4.989 . . 1010 96 96 PRO HB2 H 2.502 . . 1011 96 96 PRO HB3 H 2.017 . . 1012 96 96 PRO HG2 H 1.634 . . 1013 96 96 PRO HG3 H 1.340 . . 1014 96 96 PRO HD2 H 3.909 . . 1015 96 96 PRO HD3 H 3.479 . . 1016 96 96 PRO CA C 63.593 . . 1017 96 96 PRO CB C 31.899 . . 1018 96 96 PRO CG C 27.602 . . 1019 96 96 PRO CD C 51.160 . . 1020 96 96 PRO N N 136.094 . . 1021 97 97 PRO HA H 4.545 . . 1022 97 97 PRO HB2 H 2.132 . . 1023 97 97 PRO HB3 H 2.302 . . 1024 97 97 PRO HG2 H 2.137 . . 1025 97 97 PRO HG3 H 1.919 . . 1026 97 97 PRO HD2 H 3.865 . . 1027 97 97 PRO HD3 H 3.639 . . 1028 97 97 PRO C C 180.038 . . 1029 97 97 PRO CA C 65.528 . . 1030 97 97 PRO CB C 30.997 . . 1031 97 97 PRO CG C 27.835 . . 1032 97 97 PRO CD C 50.372 . . 1033 97 97 PRO N N 132.299 . . 1034 98 98 HIS H H 8.144 . . 1035 98 98 HIS HA H 4.581 . . 1036 98 98 HIS HB2 H 3.051 . . 1037 98 98 HIS HB3 H 3.333 . . 1038 98 98 HIS C C 176.159 . . 1039 98 98 HIS CA C 58.794 . . 1040 98 98 HIS CB C 28.984 . . 1041 98 98 HIS N N 114.628 . . 1042 99 99 LEU H H 7.458 . . 1043 99 99 LEU HA H 4.528 . . 1044 99 99 LEU HB2 H 1.348 . . 1045 99 99 LEU HB3 H 1.349 . . 1046 99 99 LEU HG H 0.906 . . 1047 99 99 LEU HD1 H 0.826 . . 1048 99 99 LEU HD2 H 0.826 . . 1049 99 99 LEU C C 173.774 . . 1050 99 99 LEU CA C 53.384 . . 1051 99 99 LEU CB C 42.823 . . 1052 99 99 LEU CG C 27.215 . . 1053 99 99 LEU CD1 C 23.005 . . 1054 99 99 LEU CD2 C 23.004 . . 1055 99 99 LEU N N 120.319 . . 1056 100 100 ALA H H 7.662 . . 1057 100 100 ALA HA H 4.372 . . 1058 100 100 ALA HB H 1.333 . . 1059 100 100 ALA C C 175.807 . . 1060 100 100 ALA CA C 51.174 . . 1061 100 100 ALA CB C 18.858 . . 1062 100 100 ALA N N 125.562 . . 1063 101 101 TYR H H 8.770 . . 1064 101 101 TYR HA H 4.629 . . 1065 101 101 TYR HB2 H 3.322 . . 1066 101 101 TYR HB3 H 2.795 . . 1067 101 101 TYR HD1 H 7.108 . . 1068 101 101 TYR HD2 H 7.108 . . 1069 101 101 TYR HE1 H 6.572 . . 1070 101 101 TYR HE2 H 6.572 . . 1071 101 101 TYR C C 175.766 . . 1072 101 101 TYR CA C 58.954 . . 1073 101 101 TYR CB C 38.798 . . 1074 101 101 TYR CD1 C 132.684 . . 1075 101 101 TYR CE1 C 118.019 . . 1076 101 101 TYR N N 121.698 . . 1077 102 102 GLY H H 8.582 . . 1078 102 102 GLY HA2 H 3.901 . . 1079 102 102 GLY HA3 H 3.590 . . 1080 102 102 GLY C C 174.879 . . 1081 102 102 GLY CA C 47.475 . . 1082 102 102 GLY N N 110.878 . . 1083 103 103 ASP H H 8.895 . . 1084 103 103 ASP HA H 4.686 . . 1085 103 103 ASP HB2 H 2.850 . . 1086 103 103 ASP HB3 H 2.720 . . 1087 103 103 ASP C C 175.230 . . 1088 103 103 ASP CA C 54.458 . . 1089 103 103 ASP CB C 40.691 . . 1090 103 103 ASP N N 126.485 . . 1091 104 104 ARG H H 7.992 . . 1092 104 104 ARG HA H 4.577 . . 1093 104 104 ARG HB2 H 1.852 . . 1094 104 104 ARG HB3 H 1.991 . . 1095 104 104 ARG HG2 H 1.720 . . 1096 104 104 ARG HG3 H 1.622 . . 1097 104 104 ARG HD2 H 3.278 . . 1098 104 104 ARG HD3 H 3.297 . . 1099 104 104 ARG C C 174.258 . . 1100 104 104 ARG CA C 54.849 . . 1101 104 104 ARG CB C 31.606 . . 1102 104 104 ARG CG C 27.470 . . 1103 104 104 ARG CD C 43.580 . . 1104 104 104 ARG N N 120.407 . . 1105 105 105 SER H H 8.311 . . 1106 105 105 SER HA H 4.788 . . 1107 105 105 SER HB2 H 3.658 . . 1108 105 105 SER HB3 H 3.579 . . 1109 105 105 SER C C 174.553 . . 1110 105 105 SER CA C 54.085 . . 1111 105 105 SER CB C 63.880 . . 1112 105 105 SER N N 115.044 . . 1113 106 106 PRO HA H 4.457 . . 1114 106 106 PRO HB2 H 1.741 . . 1115 106 106 PRO HB3 H 1.780 . . 1116 106 106 PRO HG2 H 0.670 . . 1117 106 106 PRO HG3 H 1.187 . . 1118 106 106 PRO HD2 H 3.333 . . 1119 106 106 PRO HD3 H 2.982 . . 1120 106 106 PRO C C 175.457 . . 1121 106 106 PRO CA C 63.172 . . 1122 106 106 PRO CB C 32.164 . . 1123 106 106 PRO CG C 25.708 . . 1124 106 106 PRO CD C 50.030 . . 1125 106 106 PRO N N 136.224 . . 1126 107 107 SER H H 7.567 . . 1127 107 107 SER HA H 4.917 . . 1128 107 107 SER HB2 H 3.449 . . 1129 107 107 SER HB3 H 4.067 . . 1130 107 107 SER C C 172.844 . . 1131 107 107 SER CA C 55.355 . . 1132 107 107 SER CB C 64.732 . . 1133 107 107 SER N N 115.165 . . 1134 108 108 PRO HA H 4.349 . . 1135 108 108 PRO HB2 H 2.420 . . 1136 108 108 PRO HB3 H 1.989 . . 1137 108 108 PRO HG2 H 2.124 . . 1138 108 108 PRO HG3 H 2.052 . . 1139 108 108 PRO HD2 H 3.852 . . 1140 108 108 PRO HD3 H 3.852 . . 1141 108 108 PRO C C 176.605 . . 1142 108 108 PRO CA C 64.537 . . 1143 108 108 PRO CB C 31.833 . . 1144 108 108 PRO CG C 27.541 . . 1145 108 108 PRO CD C 50.938 . . 1146 108 108 PRO N N 136.115 . . 1147 109 109 ALA H H 7.743 . . 1148 109 109 ALA HA H 4.315 . . 1149 109 109 ALA HB H 1.477 . . 1150 109 109 ALA C C 176.709 . . 1151 109 109 ALA CA C 52.792 . . 1152 109 109 ALA CB C 19.951 . . 1153 109 109 ALA N N 117.607 . . 1154 110 110 ILE H H 7.601 . . 1155 110 110 ILE HA H 4.190 . . 1156 110 110 ILE HB H 1.420 . . 1157 110 110 ILE HG12 H 0.918 . . 1158 110 110 ILE HG13 H 0.240 . . 1159 110 110 ILE HG2 H 0.798 . . 1160 110 110 ILE HD1 H -0.059 . . 1161 110 110 ILE C C 174.583 . . 1162 110 110 ILE CA C 60.362 . . 1163 110 110 ILE CB C 40.056 . . 1164 110 110 ILE CG1 C 26.604 . . 1165 110 110 ILE CG2 C 18.156 . . 1166 110 110 ILE CD1 C 13.077 . . 1167 110 110 ILE N N 119.339 . . 1168 111 111 LYS H H 9.123 . . 1169 111 111 LYS HA H 4.532 . . 1170 111 111 LYS C C 173.780 . . 1171 111 111 LYS CA C 55.396 . . 1172 111 111 LYS CB C 31.138 . . 1173 111 111 LYS N N 129.282 . . 1174 112 112 PRO HA H 4.226 . . 1175 112 112 PRO HB2 H 1.890 . . 1176 112 112 PRO HB3 H 2.279 . . 1177 112 112 PRO HG2 H 2.204 . . 1178 112 112 PRO HG3 H 1.882 . . 1179 112 112 PRO HD2 H 3.638 . . 1180 112 112 PRO HD3 H 3.859 . . 1181 112 112 PRO C C 177.937 . . 1182 112 112 PRO CA C 63.780 . . 1183 112 112 PRO CB C 31.622 . . 1184 112 112 PRO CG C 28.609 . . 1185 112 112 PRO CD C 50.073 . . 1186 112 112 PRO N N 134.638 . . 1187 113 113 GLY H H 8.752 . . 1188 113 113 GLY HA2 H 3.714 . . 1189 113 113 GLY HA3 H 4.056 . . 1190 113 113 GLY C C 174.188 . . 1191 113 113 GLY CA C 46.422 . . 1192 113 113 GLY N N 111.952 . . 1193 114 114 GLU H H 7.672 . . 1194 114 114 GLU HA H 4.427 . . 1195 114 114 GLU HB2 H 1.975 . . 1196 114 114 GLU HB3 H 2.504 . . 1197 114 114 GLU HG2 H 2.575 . . 1198 114 114 GLU HG3 H 2.877 . . 1199 114 114 GLU C C 175.883 . . 1200 114 114 GLU CA C 55.952 . . 1201 114 114 GLU CB C 32.301 . . 1202 114 114 GLU CG C 35.876 . . 1203 114 114 GLU N N 121.789 . . 1204 115 115 THR H H 8.880 . . 1205 115 115 THR HA H 4.791 . . 1206 115 115 THR HB H 3.899 . . 1207 115 115 THR HG2 H 0.985 . . 1208 115 115 THR C C 173.133 . . 1209 115 115 THR CA C 63.350 . . 1210 115 115 THR CB C 69.877 . . 1211 115 115 THR CG2 C 21.298 . . 1212 115 115 THR N N 124.524 . . 1213 116 116 LEU H H 8.829 . . 1214 116 116 LEU HA H 5.392 . . 1215 116 116 LEU HB2 H 1.957 . . 1216 116 116 LEU HB3 H 1.503 . . 1217 116 116 LEU HG H 1.160 . . 1218 116 116 LEU HD1 H 0.785 . . 1219 116 116 LEU HD2 H 0.785 . . 1220 116 116 LEU C C 175.369 . . 1221 116 116 LEU CA C 53.191 . . 1222 116 116 LEU CB C 44.768 . . 1223 116 116 LEU CG C 27.379 . . 1224 116 116 LEU CD1 C 21.890 . . 1225 116 116 LEU CD2 C 21.891 . . 1226 116 116 LEU N N 126.354 . . 1227 117 117 ILE H H 9.491 . . 1228 117 117 ILE HA H 5.373 . . 1229 117 117 ILE HB H 1.789 . . 1230 117 117 ILE HG12 H 1.325 . . 1231 117 117 ILE HG13 H 1.915 . . 1232 117 117 ILE HG2 H 0.989 . . 1233 117 117 ILE HD1 H 0.749 . . 1234 117 117 ILE C C 175.596 . . 1235 117 117 ILE CA C 60.360 . . 1236 117 117 ILE CB C 40.821 . . 1237 117 117 ILE CG1 C 28.181 . . 1238 117 117 ILE CG2 C 18.290 . . 1239 117 117 ILE CD1 C 15.235 . . 1240 117 117 ILE N N 122.513 . . 1241 118 118 PHE H H 9.958 . . 1242 118 118 PHE HA H 6.455 . . 1243 118 118 PHE HB2 H 2.924 . . 1244 118 118 PHE HB3 H 3.130 . . 1245 118 118 PHE HD1 H 7.514 . . 1246 118 118 PHE HD2 H 7.514 . . 1247 118 118 PHE HE1 H 6.897 . . 1248 118 118 PHE HE2 H 6.897 . . 1249 118 118 PHE HZ H 7.336 . . 1250 118 118 PHE C C 176.427 . . 1251 118 118 PHE CA C 55.676 . . 1252 118 118 PHE CB C 44.729 . . 1253 118 118 PHE CD1 C 132.387 . . 1254 118 118 PHE CE1 C 130.107 . . 1255 118 118 PHE CZ C 129.782 . . 1256 118 118 PHE N N 121.328 . . 1257 119 119 VAL H H 8.607 . . 1258 119 119 VAL HA H 5.022 . . 1259 119 119 VAL HB H 1.828 . . 1260 119 119 VAL HG1 H 0.881 . . 1261 119 119 VAL HG2 H 0.987 . . 1262 119 119 VAL C C 176.313 . . 1263 119 119 VAL CA C 62.528 . . 1264 119 119 VAL CB C 32.847 . . 1265 119 119 VAL CG1 C 21.971 . . 1266 119 119 VAL CG2 C 21.978 . . 1267 119 119 VAL N N 120.614 . . 1268 120 120 VAL H H 9.545 . . 1269 120 120 VAL HA H 5.462 . . 1270 120 120 VAL HB H 2.027 . . 1271 120 120 VAL HG1 H 0.694 . . 1272 120 120 VAL HG2 H 0.689 . . 1273 120 120 VAL C C 173.148 . . 1274 120 120 VAL CA C 59.292 . . 1275 120 120 VAL CB C 34.573 . . 1276 120 120 VAL CG1 C 19.894 . . 1277 120 120 VAL CG2 C 22.009 . . 1278 120 120 VAL N N 124.579 . . 1279 121 121 ASP H H 9.255 . . 1280 121 121 ASP HA H 5.877 . . 1281 121 121 ASP HB2 H 2.553 . . 1282 121 121 ASP HB3 H 2.685 . . 1283 121 121 ASP C C 175.422 . . 1284 121 121 ASP CA C 53.547 . . 1285 121 121 ASP CB C 45.266 . . 1286 121 121 ASP N N 124.103 . . 1287 122 122 LEU H H 8.143 . . 1288 122 122 LEU HA H 4.911 . . 1289 122 122 LEU HB2 H 1.341 . . 1290 122 122 LEU HB3 H 2.161 . . 1291 122 122 LEU HG H 0.660 . . 1292 122 122 LEU HD1 H 1.032 . . 1293 122 122 LEU HD2 H 1.029 . . 1294 122 122 LEU C C 175.471 . . 1295 122 122 LEU CA C 54.739 . . 1296 122 122 LEU CB C 41.235 . . 1297 122 122 LEU CG C 27.966 . . 1298 122 122 LEU CD1 C 24.912 . . 1299 122 122 LEU CD2 C 24.912 . . 1300 122 122 LEU N N 124.181 . . 1301 123 123 VAL H H 8.874 . . 1302 123 123 VAL HA H 4.342 . . 1303 123 123 VAL HB H 2.033 . . 1304 123 123 VAL HG1 H 0.789 . . 1305 123 123 VAL HG2 H 0.942 . . 1306 123 123 VAL C C 176.113 . . 1307 123 123 VAL CA C 63.084 . . 1308 123 123 VAL CB C 32.401 . . 1309 123 123 VAL CG1 C 21.465 . . 1310 123 123 VAL N N 128.080 . . 1311 124 124 GLY H H 7.743 . . 1312 124 124 GLY HA2 H 4.314 . . 1313 124 124 GLY HA3 H 3.933 . . 1314 124 124 GLY C C 170.317 . . 1315 124 124 GLY CA C 46.210 . . 1316 124 124 GLY N N 107.106 . . 1317 125 125 VAL H H 8.086 . . 1318 125 125 VAL HA H 4.771 . . 1319 125 125 VAL HB H 1.780 . . 1320 125 125 VAL HG1 H 0.790 . . 1321 125 125 VAL HG2 H 0.870 . . 1322 125 125 VAL C C 174.809 . . 1323 125 125 VAL CA C 61.410 . . 1324 125 125 VAL CB C 36.111 . . 1325 125 125 VAL CG1 C 22.910 . . 1326 125 125 VAL CG2 C 21.675 . . 1327 125 125 VAL N N 119.355 . . 1328 126 126 GLY H H 8.637 . . 1329 126 126 GLY C C 179.032 . . 1330 126 126 GLY CA C 46.214 . . 1331 126 126 GLY N N 120.662 . . stop_ save_