data_34423 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of MLP124017 ; _BMRB_accession_number 34423 _BMRB_flat_file_name bmr34423.str _Entry_type original _Submission_date 2019-08-05 _Accession_date 2019-08-05 _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 Barthe P. . . 2 'de Guillen' K. . . 3 Padilla A. . . 4 Hecker A. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 724 "13C chemical shifts" 344 "15N chemical shifts" 127 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-12-13 original BMRB . stop_ _Original_release_date 2019-12-09 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural genomics applied to the rust fungus Melampsora larici-populina reveals two candidate effector proteins adopting cystine knot and NTF2-like protein folds. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31792250 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'de Guillen' K. . . 2 Lorrain C. . . 3 Tsan P. . . 4 Barthe P. . . 5 Petre B. . . 6 Saveleva N. . . 7 Rouhier N. . . 8 Duplessis S. . . 9 Padilla A. . . 10 Hecker A. . . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_volume 9 _Journal_issue 1 _Journal_ISSN 2045-2322 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 18084 _Page_last 18084 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Secreted protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 18200.594 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 157 _Mol_residue_sequence ; MELPESFEFILTEDMVTDLD VKGLGYDFIDLVTKSPDSVN SEHELAHFLGPHDPEIYVNG KIQTTTAFLQFFRQGLFKKL KDAEFAINVSGKVKEGEGYK LVWKSAAQRSHDQKIRWDEA EAYIWRRKDGSCWLHSVKFI MSKAAPYVAIDHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 LEU 4 PRO 5 GLU 6 SER 7 PHE 8 GLU 9 PHE 10 ILE 11 LEU 12 THR 13 GLU 14 ASP 15 MET 16 VAL 17 THR 18 ASP 19 LEU 20 ASP 21 VAL 22 LYS 23 GLY 24 LEU 25 GLY 26 TYR 27 ASP 28 PHE 29 ILE 30 ASP 31 LEU 32 VAL 33 THR 34 LYS 35 SER 36 PRO 37 ASP 38 SER 39 VAL 40 ASN 41 SER 42 GLU 43 HIS 44 GLU 45 LEU 46 ALA 47 HIS 48 PHE 49 LEU 50 GLY 51 PRO 52 HIS 53 ASP 54 PRO 55 GLU 56 ILE 57 TYR 58 VAL 59 ASN 60 GLY 61 LYS 62 ILE 63 GLN 64 THR 65 THR 66 THR 67 ALA 68 PHE 69 LEU 70 GLN 71 PHE 72 PHE 73 ARG 74 GLN 75 GLY 76 LEU 77 PHE 78 LYS 79 LYS 80 LEU 81 LYS 82 ASP 83 ALA 84 GLU 85 PHE 86 ALA 87 ILE 88 ASN 89 VAL 90 SER 91 GLY 92 LYS 93 VAL 94 LYS 95 GLU 96 GLY 97 GLU 98 GLY 99 TYR 100 LYS 101 LEU 102 VAL 103 TRP 104 LYS 105 SER 106 ALA 107 ALA 108 GLN 109 ARG 110 SER 111 HIS 112 ASP 113 GLN 114 LYS 115 ILE 116 ARG 117 TRP 118 ASP 119 GLU 120 ALA 121 GLU 122 ALA 123 TYR 124 ILE 125 TRP 126 ARG 127 ARG 128 LYS 129 ASP 130 GLY 131 SER 132 CYS 133 TRP 134 LEU 135 HIS 136 SER 137 VAL 138 LYS 139 PHE 140 ILE 141 MET 142 SER 143 LYS 144 ALA 145 ALA 146 PRO 147 TYR 148 VAL 149 ALA 150 ILE 151 ASP 152 HIS 153 HIS 154 HIS 155 HIS 156 HIS 157 HIS 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 _Strain _Gene_mnemonic $entity_1 'Poplar leaf rust fungus' 203908 Eukaryota Fungi Melampsora larici-populina '98AG31 / pathotype 3-4-7' MELLADRAFT_124017 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 $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-15N] MLP124017, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM [U-15N] stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.6 mM [U-13C; U-15N] MLP124017, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.6 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CINDY _Version . loop_ _Vendor _Address _Electronic_address Padilla . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Gifa _Version . loop_ _Vendor _Address _Electronic_address Delsuc . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 700 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-15N_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_HCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_2 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 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' 200 . mM pH 6.8 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-15N NOESY' '3D 1H-15N TOCSY' '3D HNCA' '3D HNCACB' '3D HBHA(CO)NH' '3D HCACO' '3D HNCO' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 14 14 ASP H H 8.493 0.000 . 2 14 14 ASP HA H 4.581 0.000 . 3 14 14 ASP HB2 H 2.601 0.000 . 4 14 14 ASP HB3 H 2.695 0.000 . 5 14 14 ASP C C 176.100 0.000 . 6 14 14 ASP CA C 54.600 0.000 . 7 14 14 ASP CB C 41.480 0.000 . 8 14 14 ASP N N 121.670 0.000 . 9 15 15 MET H H 8.358 0.000 . 10 15 15 MET HA H 4.517 0.000 . 11 15 15 MET HB2 H 2.044 0.000 . 12 15 15 MET HB3 H 2.120 0.000 . 13 15 15 MET HG2 H 2.550 0.000 . 14 15 15 MET HG3 H 2.601 0.000 . 15 15 15 MET C C 176.150 0.000 . 16 15 15 MET CA C 55.760 0.000 . 17 15 15 MET CB C 33.150 0.000 . 18 15 15 MET N N 120.700 0.000 . 19 16 16 VAL H H 8.258 0.000 . 20 16 16 VAL HA H 4.239 0.000 . 21 16 16 VAL HB H 2.156 0.000 . 22 16 16 VAL HG1 H 0.989 0.000 . 23 16 16 VAL HG2 H 0.960 0.000 . 24 16 16 VAL C C 176.290 0.000 . 25 16 16 VAL CA C 62.610 0.000 . 26 16 16 VAL CB C 32.830 0.000 . 27 16 16 VAL N N 121.310 0.000 . 28 17 17 THR H H 8.285 0.000 . 29 17 17 THR HA H 4.401 0.000 . 30 17 17 THR HB H 4.268 0.000 . 31 17 17 THR HG2 H 1.198 0.000 . 32 17 17 THR C C 174.090 0.000 . 33 17 17 THR CA C 61.740 0.000 . 34 17 17 THR CB C 70.270 0.000 . 35 17 17 THR N N 117.040 0.000 . 36 18 18 ASP H H 8.285 0.000 . 37 18 18 ASP HA H 4.365 0.000 . 38 18 18 ASP HB2 H 2.437 0.000 . 39 18 18 ASP HB3 H 2.616 0.000 . 40 18 18 ASP C C 176.240 0.000 . 41 18 18 ASP CA C 54.770 0.000 . 42 18 18 ASP CB C 41.050 0.000 . 43 18 18 ASP N N 119.620 0.000 . 44 19 19 LEU H H 8.190 0.000 . 45 19 19 LEU HA H 3.914 0.000 . 46 19 19 LEU HB2 H 1.564 0.000 . 47 19 19 LEU HB3 H 1.728 0.000 . 48 19 19 LEU HG H 1.191 0.000 . 49 19 19 LEU HD1 H 0.946 0.000 . 50 19 19 LEU HD2 H 0.865 0.000 . 51 19 19 LEU C C 179.510 0.000 . 52 19 19 LEU CA C 58.180 0.000 . 53 19 19 LEU CB C 41.930 0.000 . 54 19 19 LEU N N 120.260 0.000 . 55 20 20 ASP H H 8.806 0.000 . 56 20 20 ASP HA H 4.281 0.000 . 57 20 20 ASP HB2 H 2.759 0.000 . 58 20 20 ASP HB3 H 2.830 0.000 . 59 20 20 ASP C C 178.370 0.000 . 60 20 20 ASP CA C 56.120 0.000 . 61 20 20 ASP CB C 38.670 0.000 . 62 20 20 ASP N N 120.400 0.000 . 63 21 21 VAL H H 7.975 0.000 . 64 21 21 VAL HA H 3.438 0.000 . 65 21 21 VAL HB H 1.567 0.000 . 66 21 21 VAL HG1 H 0.506 0.000 . 67 21 21 VAL HG2 H 0.412 0.000 . 68 21 21 VAL C C 177.320 0.000 . 69 21 21 VAL CA C 66.110 0.000 . 70 21 21 VAL CB C 32.520 0.000 . 71 21 21 VAL N N 124.360 0.000 . 72 22 22 LYS H H 7.966 0.000 . 73 22 22 LYS HA H 3.606 0.000 . 74 22 22 LYS HB2 H 1.594 0.000 . 75 22 22 LYS HB3 H 1.668 0.000 . 76 22 22 LYS HG2 H 1.167 0.000 . 77 22 22 LYS HG3 H 1.426 0.000 . 78 22 22 LYS HD2 H 1.493 0.000 . 79 22 22 LYS HD3 H 1.493 0.000 . 80 22 22 LYS C C 177.640 0.000 . 81 22 22 LYS CA C 60.490 0.000 . 82 22 22 LYS CB C 33.020 0.000 . 83 22 22 LYS N N 117.540 0.000 . 84 23 23 GLY H H 8.139 0.000 . 85 23 23 GLY HA2 H 3.880 0.000 . 86 23 23 GLY HA3 H 3.769 0.000 . 87 23 23 GLY C C 175.360 0.000 . 88 23 23 GLY CA C 47.420 0.000 . 89 23 23 GLY N N 105.270 0.000 . 90 24 24 LEU H H 7.413 0.000 . 91 24 24 LEU HA H 4.539 0.000 . 92 24 24 LEU HB2 H 1.689 0.000 . 93 24 24 LEU HB3 H 1.891 0.000 . 94 24 24 LEU HG H 1.548 0.000 . 95 24 24 LEU HD1 H 1.119 0.000 . 96 24 24 LEU HD2 H 0.785 0.000 . 97 24 24 LEU C C 178.830 0.000 . 98 24 24 LEU CA C 58.060 0.000 . 99 24 24 LEU CB C 41.610 0.000 . 100 24 24 LEU N N 122.550 0.000 . 101 25 25 GLY H H 8.067 0.000 . 102 25 25 GLY HA2 H 3.781 0.000 . 103 25 25 GLY HA3 H 3.743 0.000 . 104 25 25 GLY C C 174.480 0.000 . 105 25 25 GLY CA C 48.260 0.000 . 106 25 25 GLY N N 104.530 0.000 . 107 26 26 TYR H H 9.092 0.000 . 108 26 26 TYR HA H 4.339 0.000 . 109 26 26 TYR HB2 H 3.081 0.000 . 110 26 26 TYR HB3 H 3.128 0.000 . 111 26 26 TYR HD1 H 7.102 0.000 . 112 26 26 TYR HD2 H 7.102 0.000 . 113 26 26 TYR HE1 H 6.262 0.000 . 114 26 26 TYR HE2 H 6.262 0.000 . 115 26 26 TYR C C 178.440 0.000 . 116 26 26 TYR CA C 60.460 0.000 . 117 26 26 TYR N N 120.790 0.000 . 118 27 27 ASP H H 8.367 0.000 . 119 27 27 ASP HA H 4.297 0.000 . 120 27 27 ASP HB2 H 2.446 0.000 . 121 27 27 ASP HB3 H 3.051 0.000 . 122 27 27 ASP C C 177.840 0.000 . 123 27 27 ASP CA C 57.530 0.000 . 124 27 27 ASP CB C 40.420 0.000 . 125 27 27 ASP N N 121.530 0.000 . 126 28 28 PHE H H 7.771 0.000 . 127 28 28 PHE HA H 3.508 0.000 . 128 28 28 PHE HB2 H 3.163 0.000 . 129 28 28 PHE HB3 H 3.248 0.000 . 130 28 28 PHE HD1 H 6.930 0.000 . 131 28 28 PHE HD2 H 6.930 0.000 . 132 28 28 PHE HE1 H 7.070 0.000 . 133 28 28 PHE HE2 H 7.070 0.000 . 134 28 28 PHE C C 175.930 0.000 . 135 28 28 PHE CA C 60.340 0.000 . 136 28 28 PHE CB C 41.360 0.000 . 137 28 28 PHE N N 117.670 0.000 . 138 29 29 ILE H H 8.150 0.000 . 139 29 29 ILE HA H 3.142 0.000 . 140 29 29 ILE HB H 0.625 0.000 . 141 29 29 ILE HG12 H 0.251 0.000 . 142 29 29 ILE HG13 H -0.130 0.000 . 143 29 29 ILE HG2 H 0.528 0.000 . 144 29 29 ILE HD1 H -0.290 0.000 . 145 29 29 ILE C C 178.110 0.000 . 146 29 29 ILE CA C 59.860 0.000 . 147 29 29 ILE N N 119.960 0.000 . 148 30 30 ASP H H 8.091 0.000 . 149 30 30 ASP HA H 4.044 0.000 . 150 30 30 ASP HB2 H 2.498 0.000 . 151 30 30 ASP HB3 H 2.698 0.000 . 152 30 30 ASP C C 177.600 0.000 . 153 30 30 ASP CA C 57.020 0.000 . 154 30 30 ASP CB C 41.420 0.000 . 155 30 30 ASP N N 123.530 0.000 . 156 31 31 LEU H H 7.073 0.000 . 157 31 31 LEU HA H 3.921 0.000 . 158 31 31 LEU HB2 H 1.545 0.000 . 159 31 31 LEU HB3 H 1.669 0.000 . 160 31 31 LEU HG H 1.001 0.000 . 161 31 31 LEU HD1 H 0.713 0.000 . 162 31 31 LEU HD2 H 0.433 0.000 . 163 31 31 LEU C C 179.760 0.000 . 164 31 31 LEU CA C 57.260 0.000 . 165 31 31 LEU CB C 43.180 0.000 . 166 31 31 LEU N N 116.350 0.000 . 167 32 32 VAL H H 7.744 0.000 . 168 32 32 VAL HA H 3.730 0.000 . 169 32 32 VAL HB H 1.429 0.000 . 170 32 32 VAL HG1 H 0.601 0.000 . 171 32 32 VAL HG2 H 0.520 0.000 . 172 32 32 VAL C C 175.360 0.000 . 173 32 32 VAL CA C 64.100 0.000 . 174 32 32 VAL CB C 32.080 0.000 . 175 32 32 VAL N N 116.250 0.000 . 176 33 33 THR H H 7.168 0.000 . 177 33 33 THR HA H 4.263 0.000 . 178 33 33 THR HB H 4.304 0.000 . 179 33 33 THR HG1 H 4.990 0.000 . 180 33 33 THR HG2 H 1.021 0.000 . 181 33 33 THR C C 173.770 0.000 . 182 33 33 THR CA C 61.590 0.000 . 183 33 33 THR CB C 70.010 0.000 . 184 33 33 THR N N 105.510 0.000 . 185 34 34 LYS H H 6.794 0.000 . 186 34 34 LYS HA H 4.149 0.000 . 187 34 34 LYS HB2 H 1.870 0.000 . 188 34 34 LYS HB3 H 1.965 0.000 . 189 34 34 LYS HG2 H 1.411 0.000 . 190 34 34 LYS HG3 H 1.466 0.000 . 191 34 34 LYS HD2 H 1.748 0.000 . 192 34 34 LYS HD3 H 1.748 0.000 . 193 34 34 LYS HE2 H 2.934 0.000 . 194 34 34 LYS HE3 H 2.934 0.000 . 195 34 34 LYS C C 176.020 0.000 . 196 34 34 LYS CA C 55.490 0.000 . 197 34 34 LYS CB C 33.270 0.000 . 198 34 34 LYS N N 122.650 0.000 . 199 35 35 SER H H 8.516 0.000 . 200 35 35 SER HA H 4.407 0.000 . 201 35 35 SER HB2 H 3.936 0.000 . 202 35 35 SER HB3 H 4.005 0.000 . 203 35 35 SER C C 175.840 0.000 . 204 35 35 SER CA C 56.660 0.000 . 205 35 35 SER CB C 63.740 0.000 . 206 35 35 SER N N 116.450 0.000 . 207 36 36 PRO HA H 4.373 0.000 . 208 36 36 PRO HB2 H 1.424 0.000 . 209 36 36 PRO HB3 H 1.781 0.000 . 210 36 36 PRO HG2 H 1.661 0.000 . 211 36 36 PRO HG3 H 1.686 0.000 . 212 36 36 PRO HD2 H 3.532 0.000 . 213 36 36 PRO HD3 H 3.731 0.000 . 214 36 36 PRO C C 176.240 0.000 . 215 36 36 PRO CA C 63.890 0.000 . 216 36 36 PRO CB C 32.210 0.000 . 217 37 37 ASP H H 7.890 0.000 . 218 37 37 ASP HA H 4.504 0.000 . 219 37 37 ASP HB2 H 2.609 0.000 . 220 37 37 ASP HB3 H 2.682 0.000 . 221 37 37 ASP C C 176.690 0.000 . 222 37 37 ASP CA C 54.420 0.000 . 223 37 37 ASP CB C 40.670 0.000 . 224 37 37 ASP N N 116.160 0.000 . 225 38 38 SER H H 7.812 0.000 . 226 38 38 SER HA H 4.531 0.000 . 227 38 38 SER HB2 H 3.995 0.000 . 228 38 38 SER HB3 H 4.051 0.000 . 229 38 38 SER C C 175.900 0.000 . 230 38 38 SER CA C 58.330 0.000 . 231 38 38 SER CB C 63.930 0.000 . 232 38 38 SER N N 116.210 0.000 . 233 39 39 VAL H H 8.656 0.000 . 234 39 39 VAL HA H 3.904 0.000 . 235 39 39 VAL HB H 2.080 0.000 . 236 39 39 VAL HG1 H 1.064 0.000 . 237 39 39 VAL HG2 H 1.001 0.000 . 238 39 39 VAL C C 177.100 0.000 . 239 39 39 VAL CA C 65.000 0.000 . 240 39 39 VAL CB C 32.140 0.000 . 241 39 39 VAL N N 127.190 0.000 . 242 40 40 ASN HA H 4.128 0.000 . 243 40 40 ASN HB2 H 2.939 0.000 . 244 40 40 ASN HB3 H 3.134 0.000 . 245 40 40 ASN HD21 H 7.794 0.000 . 246 40 40 ASN HD22 H 6.897 0.000 . 247 40 40 ASN CA C 54.980 0.000 . 248 40 40 ASN CB C 38.920 0.000 . 249 40 40 ASN ND2 N 113.600 0.000 . 250 41 41 SER H H 8.002 0.000 . 251 41 41 SER HA H 4.182 0.000 . 252 41 41 SER HB2 H 3.742 0.000 . 253 41 41 SER HB3 H 3.779 0.000 . 254 41 41 SER CA C 62.130 0.000 . 255 41 41 SER CB C 63.680 0.000 . 256 41 41 SER N N 116.600 0.000 . 257 42 42 GLU H H 8.622 0.000 . 258 42 42 GLU HA H 3.768 0.000 . 259 42 42 GLU HB2 H 2.129 0.000 . 260 42 42 GLU HB3 H 2.201 0.000 . 261 42 42 GLU HG2 H 2.312 0.000 . 262 42 42 GLU HG3 H 2.344 0.000 . 263 42 42 GLU CA C 60.100 0.000 . 264 42 42 GLU CB C 29.830 0.000 . 265 42 42 GLU N N 124.310 0.000 . 266 43 43 HIS H H 7.861 0.000 . 267 43 43 HIS HA H 4.360 0.000 . 268 43 43 HIS HB2 H 3.085 0.000 . 269 43 43 HIS HB3 H 3.186 0.000 . 270 43 43 HIS C C 178.310 0.000 . 271 43 43 HIS CA C 59.140 0.000 . 272 43 43 HIS CB C 30.450 0.000 . 273 43 43 HIS N N 119.290 0.000 . 274 44 44 GLU H H 8.527 0.000 . 275 44 44 GLU HA H 4.028 0.000 . 276 44 44 GLU HB2 H 2.031 0.000 . 277 44 44 GLU HB3 H 2.079 0.000 . 278 44 44 GLU HG2 H 2.351 0.000 . 279 44 44 GLU HG3 H 2.590 0.000 . 280 44 44 GLU C C 179.850 0.000 . 281 44 44 GLU CA C 59.860 0.000 . 282 44 44 GLU CB C 29.700 0.000 . 283 44 44 GLU N N 118.840 0.000 . 284 45 45 LEU H H 7.556 0.000 . 285 45 45 LEU HA H 4.157 0.000 . 286 45 45 LEU HB2 H 1.111 0.000 . 287 45 45 LEU HB3 H 1.703 0.000 . 288 45 45 LEU HG H 1.376 0.000 . 289 45 45 LEU HD1 H 0.722 0.000 . 290 45 45 LEU HD2 H 0.176 0.000 . 291 45 45 LEU C C 177.410 0.000 . 292 45 45 LEU CA C 58.330 0.000 . 293 45 45 LEU CB C 41.990 0.000 . 294 45 45 LEU N N 121.430 0.000 . 295 46 46 ALA H H 8.459 0.000 . 296 46 46 ALA HA H 4.030 0.000 . 297 46 46 ALA HB H 1.572 0.000 . 298 46 46 ALA C C 181.220 0.000 . 299 46 46 ALA CA C 55.790 0.000 . 300 46 46 ALA CB C 18.480 0.000 . 301 46 46 ALA N N 120.840 0.000 . 302 47 47 HIS H H 8.755 0.000 . 303 47 47 HIS HA H 4.334 0.000 . 304 47 47 HIS HB2 H 3.085 0.000 . 305 47 47 HIS HB3 H 3.181 0.000 . 306 47 47 HIS C C 178.000 0.000 . 307 47 47 HIS CA C 59.290 0.000 . 308 47 47 HIS CB C 30.140 0.000 . 309 47 47 HIS N N 117.770 0.000 . 310 48 48 PHE H H 8.043 0.000 . 311 48 48 PHE HA H 4.261 0.000 . 312 48 48 PHE HB2 H 3.360 0.000 . 313 48 48 PHE HB3 H 3.400 0.000 . 314 48 48 PHE HD1 H 7.260 0.000 . 315 48 48 PHE HD2 H 7.260 0.000 . 316 48 48 PHE HE1 H 7.340 0.000 . 317 48 48 PHE HE2 H 7.340 0.000 . 318 48 48 PHE C C 176.960 0.000 . 319 48 48 PHE CA C 60.900 0.000 . 320 48 48 PHE CB C 40.670 0.000 . 321 48 48 PHE N N 120.700 0.000 . 322 49 49 LEU H H 7.999 0.000 . 323 49 49 LEU HA H 3.948 0.000 . 324 49 49 LEU HB2 H 1.644 0.000 . 325 49 49 LEU HB3 H 2.043 0.000 . 326 49 49 LEU HG H 1.564 0.000 . 327 49 49 LEU HD1 H 1.001 0.000 . 328 49 49 LEU HD2 H 0.932 0.000 . 329 49 49 LEU C C 178.910 0.000 . 330 49 49 LEU CA C 57.110 0.000 . 331 49 49 LEU CB C 43.310 0.000 . 332 49 49 LEU N N 114.990 0.000 . 333 50 50 GLY H H 7.628 0.000 . 334 50 50 GLY HA2 H 4.191 0.000 . 335 50 50 GLY HA3 H 3.927 0.000 . 336 50 50 GLY C C 174.170 0.000 . 337 50 50 GLY CA C 48.970 0.000 . 338 50 50 GLY N N 105.270 0.000 . 339 51 51 PRO HA H 4.261 0.000 . 340 51 51 PRO HB2 H 1.782 0.000 . 341 51 51 PRO HB3 H 2.180 0.000 . 342 51 51 PRO HG2 H 1.993 0.000 . 343 51 51 PRO HG3 H 2.021 0.000 . 344 51 51 PRO HD2 H 3.532 0.000 . 345 51 51 PRO HD3 H 3.655 0.000 . 346 51 51 PRO C C 177.090 0.000 . 347 51 51 PRO CA C 64.460 0.000 . 348 51 51 PRO CB C 32.460 0.000 . 349 52 52 HIS H H 7.141 0.000 . 350 52 52 HIS HA H 4.434 0.000 . 351 52 52 HIS HB2 H 2.874 0.000 . 352 52 52 HIS HB3 H 4.022 0.000 . 353 52 52 HIS HD2 H 6.980 0.000 . 354 52 52 HIS C C 175.040 0.000 . 355 52 52 HIS CA C 58.570 0.000 . 356 52 52 HIS CB C 33.590 0.000 . 357 52 52 HIS N N 115.330 0.000 . 358 53 53 ASP H H 8.394 0.000 . 359 53 53 ASP HA H 4.456 0.000 . 360 53 53 ASP HB2 H 2.407 0.000 . 361 53 53 ASP HB3 H 3.198 0.000 . 362 53 53 ASP C C 172.470 0.000 . 363 53 53 ASP CA C 54.270 0.000 . 364 53 53 ASP CB C 41.050 0.000 . 365 53 53 ASP N N 115.420 0.000 . 366 54 54 PRO HA H 4.376 0.000 . 367 54 54 PRO HD2 H 3.686 0.000 . 368 54 54 PRO HD3 H 3.746 0.000 . 369 54 54 PRO C C 177.550 0.000 . 370 54 54 PRO CA C 62.700 0.000 . 371 54 54 PRO CB C 31.020 0.000 . 372 55 55 GLU H H 7.629 0.000 . 373 55 55 GLU HA H 4.279 0.000 . 374 55 55 GLU HB2 H 1.910 0.000 . 375 55 55 GLU HB3 H 2.003 0.000 . 376 55 55 GLU HG2 H 2.237 0.000 . 377 55 55 GLU HG3 H 2.431 0.000 . 378 55 55 GLU C C 175.500 0.000 . 379 55 55 GLU CA C 56.750 0.000 . 380 55 55 GLU CB C 31.580 0.000 . 381 55 55 GLU N N 119.250 0.000 . 382 56 56 ILE H H 8.745 0.000 . 383 56 56 ILE HA H 4.795 0.000 . 384 56 56 ILE HB H 1.626 0.000 . 385 56 56 ILE HG12 H 1.476 0.000 . 386 56 56 ILE HG13 H 0.831 0.000 . 387 56 56 ILE HG2 H 0.562 0.000 . 388 56 56 ILE HD1 H 0.330 0.000 . 389 56 56 ILE C C 173.910 0.000 . 390 56 56 ILE CA C 60.610 0.000 . 391 56 56 ILE CB C 40.170 0.000 . 392 56 56 ILE N N 125.580 0.000 . 393 57 57 TYR H H 9.153 0.000 . 394 57 57 TYR HA H 5.303 0.000 . 395 57 57 TYR HB2 H 2.766 0.000 . 396 57 57 TYR HB3 H 3.004 0.000 . 397 57 57 TYR HD1 H 6.850 0.000 . 398 57 57 TYR HD2 H 6.850 0.000 . 399 57 57 TYR HE1 H 6.781 0.000 . 400 57 57 TYR HE2 H 6.781 0.000 . 401 57 57 TYR C C 176.620 0.000 . 402 57 57 TYR CA C 56.270 0.000 . 403 57 57 TYR CB C 42.240 0.000 . 404 57 57 TYR N N 124.510 0.000 . 405 58 58 VAL H H 8.780 0.000 . 406 58 58 VAL HA H 4.839 0.000 . 407 58 58 VAL HB H 2.060 0.000 . 408 58 58 VAL HG1 H 1.172 0.000 . 409 58 58 VAL HG2 H 0.575 0.000 . 410 58 58 VAL C C 175.780 0.000 . 411 58 58 VAL CA C 62.310 0.000 . 412 58 58 VAL CB C 34.590 0.000 . 413 58 58 VAL N N 119.750 0.000 . 414 59 59 ASN H H 9.773 0.000 . 415 59 59 ASN HA H 4.568 0.000 . 416 59 59 ASN HB2 H 2.927 0.000 . 417 59 59 ASN HB3 H 3.192 0.000 . 418 59 59 ASN HD21 H 7.556 0.000 . 419 59 59 ASN HD22 H 6.492 0.000 . 420 59 59 ASN C C 175.300 0.000 . 421 59 59 ASN CA C 54.650 0.000 . 422 59 59 ASN CB C 36.970 0.000 . 423 59 59 ASN N N 128.660 0.000 . 424 59 59 ASN ND2 N 110.780 0.000 . 425 60 60 GLY H H 9.827 0.000 . 426 60 60 GLY HA2 H 4.305 0.000 . 427 60 60 GLY HA3 H 3.660 0.000 . 428 60 60 GLY C C 173.910 0.000 . 429 60 60 GLY CA C 45.500 0.000 . 430 60 60 GLY N N 103.850 0.000 . 431 61 61 LYS H H 7.812 0.000 . 432 61 61 LYS HA H 4.968 0.000 . 433 61 61 LYS HB2 H 1.861 0.000 . 434 61 61 LYS HB3 H 1.994 0.000 . 435 61 61 LYS HG2 H 1.572 0.000 . 436 61 61 LYS HG3 H 1.607 0.000 . 437 61 61 LYS HD2 H 1.834 0.000 . 438 61 61 LYS HD3 H 1.834 0.000 . 439 61 61 LYS HE2 H 3.130 0.000 . 440 61 61 LYS HE3 H 3.130 0.000 . 441 61 61 LYS C C 176.390 0.000 . 442 61 61 LYS CA C 54.450 0.000 . 443 61 61 LYS CB C 34.720 0.000 . 444 61 61 LYS N N 120.750 0.000 . 445 62 62 ILE H H 8.877 0.000 . 446 62 62 ILE HA H 4.055 0.000 . 447 62 62 ILE HB H 1.536 0.000 . 448 62 62 ILE HG12 H 1.027 0.000 . 449 62 62 ILE HG13 H 0.966 0.000 . 450 62 62 ILE HG2 H 0.846 0.000 . 451 62 62 ILE HD1 H 0.572 0.000 . 452 62 62 ILE C C 174.390 0.000 . 453 62 62 ILE CA C 60.990 0.000 . 454 62 62 ILE CB C 38.540 0.000 . 455 62 62 ILE N N 129.880 0.000 . 456 63 63 GLN H H 8.792 0.000 . 457 63 63 GLN HA H 4.927 0.000 . 458 63 63 GLN HB2 H 1.545 0.000 . 459 63 63 GLN HB3 H 2.599 0.000 . 460 63 63 GLN HG2 H 2.269 0.000 . 461 63 63 GLN HG3 H 2.923 0.000 . 462 63 63 GLN HE21 H 7.121 0.000 . 463 63 63 GLN HE22 H 6.805 0.000 . 464 63 63 GLN C C 176.350 0.000 . 465 63 63 GLN CA C 52.680 0.000 . 466 63 63 GLN CB C 31.830 0.000 . 467 63 63 GLN N N 124.410 0.000 . 468 63 63 GLN NE2 N 111.540 0.000 . 469 64 64 THR H H 7.836 0.000 . 470 64 64 THR HA H 4.629 0.000 . 471 64 64 THR HB H 4.823 0.000 . 472 64 64 THR HG2 H 1.413 0.000 . 473 64 64 THR C C 175.930 0.000 . 474 64 64 THR CA C 60.610 0.000 . 475 64 64 THR CB C 71.330 0.000 . 476 64 64 THR N N 110.790 0.000 . 477 65 65 THR H H 9.000 0.000 . 478 65 65 THR HA H 4.241 0.000 . 479 65 65 THR HB H 3.923 0.000 . 480 65 65 THR HG2 H 1.377 0.000 . 481 65 65 THR C C 176.420 0.000 . 482 65 65 THR CA C 67.960 0.000 . 483 65 65 THR N N 118.350 0.000 . 484 66 66 THR H H 8.060 0.000 . 485 66 66 THR HA H 3.896 0.000 . 486 66 66 THR HB H 4.081 0.000 . 487 66 66 THR HG2 H 1.252 0.000 . 488 66 66 THR C C 176.520 0.000 . 489 66 66 THR CA C 66.680 0.000 . 490 66 66 THR CB C 69.070 0.000 . 491 66 66 THR N N 114.640 0.000 . 492 67 67 ALA H H 7.972 0.000 . 493 67 67 ALA HA H 3.979 0.000 . 494 67 67 ALA HB H 1.543 0.000 . 495 67 67 ALA C C 179.960 0.000 . 496 67 67 ALA CA C 55.190 0.000 . 497 67 67 ALA CB C 19.170 0.000 . 498 67 67 ALA N N 126.210 0.000 . 499 68 68 PHE H H 8.631 0.000 . 500 68 68 PHE HA H 4.503 0.000 . 501 68 68 PHE HB2 H 3.189 0.000 . 502 68 68 PHE HB3 H 3.509 0.000 . 503 68 68 PHE HD1 H 7.090 0.000 . 504 68 68 PHE HD2 H 7.090 0.000 . 505 68 68 PHE HE1 H 6.830 0.000 . 506 68 68 PHE HE2 H 6.830 0.000 . 507 68 68 PHE HZ H 6.870 0.000 . 508 68 68 PHE C C 176.870 0.000 . 509 68 68 PHE CA C 61.560 0.000 . 510 68 68 PHE CB C 39.860 0.000 . 511 68 68 PHE N N 119.030 0.000 . 512 69 69 LEU H H 8.616 0.000 . 513 69 69 LEU HA H 3.910 0.000 . 514 69 69 LEU HB2 H 1.550 0.000 . 515 69 69 LEU HB3 H 1.659 0.000 . 516 69 69 LEU HG H 1.270 0.000 . 517 69 69 LEU HD1 H 0.991 0.000 . 518 69 69 LEU HD2 H 0.802 0.000 . 519 69 69 LEU C C 178.890 0.000 . 520 69 69 LEU CA C 57.650 0.000 . 521 69 69 LEU CB C 40.990 0.000 . 522 69 69 LEU N N 118.950 0.000 . 523 70 70 GLN H H 7.716 0.000 . 524 70 70 GLN HA H 4.008 0.000 . 525 70 70 GLN HB2 H 2.007 0.000 . 526 70 70 GLN HB3 H 2.098 0.000 . 527 70 70 GLN HG2 H 2.232 0.000 . 528 70 70 GLN HG3 H 2.335 0.000 . 529 70 70 GLN HE21 H 7.350 0.000 . 530 70 70 GLN HE22 H 6.789 0.000 . 531 70 70 GLN C C 178.610 0.000 . 532 70 70 GLN CA C 59.350 0.000 . 533 70 70 GLN CB C 27.760 0.000 . 534 70 70 GLN N N 119.770 0.000 . 535 70 70 GLN NE2 N 111.800 0.000 . 536 71 71 PHE H H 7.897 0.000 . 537 71 71 PHE HA H 4.337 0.000 . 538 71 71 PHE HB2 H 2.694 0.000 . 539 71 71 PHE HB3 H 3.281 0.000 . 540 71 71 PHE HD1 H 7.190 0.000 . 541 71 71 PHE HD2 H 7.190 0.000 . 542 71 71 PHE HE1 H 7.290 0.000 . 543 71 71 PHE HE2 H 7.290 0.000 . 544 71 71 PHE C C 178.230 0.000 . 545 71 71 PHE CA C 59.770 0.000 . 546 71 71 PHE CB C 38.540 0.000 . 547 71 71 PHE N N 119.220 0.000 . 548 72 72 PHE H H 8.292 0.000 . 549 72 72 PHE HA H 4.323 0.000 . 550 72 72 PHE HB2 H 2.662 0.000 . 551 72 72 PHE HB3 H 3.360 0.000 . 552 72 72 PHE HD1 H 7.150 0.000 . 553 72 72 PHE HD2 H 7.150 0.000 . 554 72 72 PHE HE1 H 6.865 0.000 . 555 72 72 PHE HE2 H 6.865 0.000 . 556 72 72 PHE HZ H 6.900 0.000 . 557 72 72 PHE C C 179.150 0.000 . 558 72 72 PHE CA C 60.940 0.000 . 559 72 72 PHE CB C 38.480 0.000 . 560 72 72 PHE N N 120.010 0.000 . 561 73 73 ARG H H 8.646 0.000 . 562 73 73 ARG HA H 3.700 0.000 . 563 73 73 ARG HB2 H 1.930 0.000 . 564 73 73 ARG HB3 H 2.125 0.000 . 565 73 73 ARG HG2 H 1.749 0.000 . 566 73 73 ARG HG3 H 1.950 0.000 . 567 73 73 ARG HD2 H 3.202 0.000 . 568 73 73 ARG HD3 H 3.363 0.000 . 569 73 73 ARG C C 177.630 0.000 . 570 73 73 ARG CA C 59.110 0.000 . 571 73 73 ARG CB C 30.510 0.000 . 572 73 73 ARG N N 121.530 0.000 . 573 74 74 GLN H H 7.635 0.000 . 574 74 74 GLN HA H 4.144 0.000 . 575 74 74 GLN HB2 H 2.165 0.000 . 576 74 74 GLN HB3 H 2.191 0.000 . 577 74 74 GLN HG2 H 2.443 0.000 . 578 74 74 GLN HG3 H 2.585 0.000 . 579 74 74 GLN HE21 H 7.284 0.000 . 580 74 74 GLN HE22 H 6.707 0.000 . 581 74 74 GLN C C 176.780 0.000 . 582 74 74 GLN CA C 56.150 0.000 . 583 74 74 GLN CB C 29.260 0.000 . 584 74 74 GLN N N 115.720 0.000 . 585 74 74 GLN NE2 N 110.180 0.000 . 586 75 75 GLY H H 7.982 0.000 . 587 75 75 GLY HA2 H 4.044 0.000 . 588 75 75 GLY HA3 H 3.689 0.000 . 589 75 75 GLY C C 176.320 0.000 . 590 75 75 GLY CA C 46.070 0.000 . 591 75 75 GLY N N 107.660 0.000 . 592 76 76 LEU H H 7.236 0.000 . 593 76 76 LEU HA H 3.676 0.000 . 594 76 76 LEU HB2 H 0.216 0.000 . 595 76 76 LEU HB3 H 0.257 0.000 . 596 76 76 LEU HG H 1.183 0.000 . 597 76 76 LEU HD1 H 0.825 0.000 . 598 76 76 LEU HD2 H 0.644 0.000 . 599 76 76 LEU C C 177.610 0.000 . 600 76 76 LEU CA C 57.230 0.000 . 601 76 76 LEU CB C 41.990 0.000 . 602 76 76 LEU N N 119.230 0.000 . 603 77 77 PHE H H 8.200 0.000 . 604 77 77 PHE HA H 4.655 0.000 . 605 77 77 PHE HB2 H 2.820 0.000 . 606 77 77 PHE HB3 H 3.219 0.000 . 607 77 77 PHE HD1 H 6.860 0.000 . 608 77 77 PHE HD2 H 6.860 0.000 . 609 77 77 PHE HE1 H 6.480 0.000 . 610 77 77 PHE HE2 H 6.480 0.000 . 611 77 77 PHE HZ H 6.560 0.000 . 612 77 77 PHE C C 175.980 0.000 . 613 77 77 PHE CA C 56.840 0.000 . 614 77 77 PHE CB C 39.040 0.000 . 615 77 77 PHE N N 113.080 0.000 . 616 78 78 LYS H H 6.896 0.000 . 617 78 78 LYS HA H 3.939 0.000 . 618 78 78 LYS HB2 H 1.710 0.000 . 619 78 78 LYS HB3 H 1.785 0.000 . 620 78 78 LYS HG2 H 1.433 0.000 . 621 78 78 LYS HG3 H 1.480 0.000 . 622 78 78 LYS HD2 H 1.630 0.000 . 623 78 78 LYS HD3 H 1.630 0.000 . 624 78 78 LYS C C 179.510 0.000 . 625 78 78 LYS CA C 59.740 0.000 . 626 78 78 LYS CB C 33.210 0.000 . 627 78 78 LYS N N 117.230 0.000 . 628 79 79 LYS H H 8.299 0.000 . 629 79 79 LYS HA H 4.293 0.000 . 630 79 79 LYS HB2 H 1.982 0.000 . 631 79 79 LYS HB3 H 2.058 0.000 . 632 79 79 LYS HG2 H 1.505 0.000 . 633 79 79 LYS HG3 H 1.585 0.000 . 634 79 79 LYS HD2 H 1.630 0.000 . 635 79 79 LYS HD3 H 1.630 0.000 . 636 79 79 LYS C C 177.440 0.000 . 637 79 79 LYS CA C 58.030 0.000 . 638 79 79 LYS CB C 31.640 0.000 . 639 79 79 LYS N N 116.650 0.000 . 640 80 80 LEU H H 7.458 0.000 . 641 80 80 LEU HA H 4.094 0.000 . 642 80 80 LEU HB2 H 1.440 0.000 . 643 80 80 LEU HB3 H 1.909 0.000 . 644 80 80 LEU HG H 1.571 0.000 . 645 80 80 LEU HD1 H 1.140 0.000 . 646 80 80 LEU HD2 H 0.890 0.000 . 647 80 80 LEU C C 175.190 0.000 . 648 80 80 LEU CA C 55.730 0.000 . 649 80 80 LEU CB C 42.620 0.000 . 650 80 80 LEU N N 117.620 0.000 . 651 81 81 LYS H H 7.260 0.000 . 652 81 81 LYS HA H 3.885 0.000 . 653 81 81 LYS HB2 H 1.771 0.000 . 654 81 81 LYS HB3 H 1.854 0.000 . 655 81 81 LYS HG2 H 1.414 0.000 . 656 81 81 LYS HG3 H 1.471 0.000 . 657 81 81 LYS C C 176.760 0.000 . 658 81 81 LYS CA C 58.120 0.000 . 659 81 81 LYS CB C 32.650 0.000 . 660 81 81 LYS N N 120.840 0.000 . 661 82 82 ASP HA H 4.530 0.000 . 662 82 82 ASP HB2 H 2.836 0.000 . 663 82 82 ASP HB3 H 2.975 0.000 . 664 82 82 ASP C C 175.050 0.000 . 665 82 82 ASP CA C 55.580 0.000 . 666 82 82 ASP CB C 39.610 0.000 . 667 83 83 ALA H H 7.720 0.000 . 668 83 83 ALA HA H 4.406 0.000 . 669 83 83 ALA HB H 1.577 0.000 . 670 83 83 ALA C C 177.600 0.000 . 671 83 83 ALA CA C 52.650 0.000 . 672 83 83 ALA CB C 21.170 0.000 . 673 83 83 ALA N N 121.230 0.000 . 674 84 84 GLU H H 8.329 0.000 . 675 84 84 GLU HA H 4.495 0.000 . 676 84 84 GLU HB2 H 2.096 0.000 . 677 84 84 GLU HB3 H 2.126 0.000 . 678 84 84 GLU HG2 H 2.319 0.000 . 679 84 84 GLU HG3 H 2.389 0.000 . 680 84 84 GLU C C 175.980 0.000 . 681 84 84 GLU CA C 56.690 0.000 . 682 84 84 GLU N N 121.380 0.000 . 683 85 85 PHE H H 8.571 0.000 . 684 85 85 PHE HA H 5.180 0.000 . 685 85 85 PHE HB2 H 2.703 0.000 . 686 85 85 PHE HB3 H 3.057 0.000 . 687 85 85 PHE HD1 H 6.370 0.000 . 688 85 85 PHE HD2 H 6.370 0.000 . 689 85 85 PHE HE1 H 6.700 0.000 . 690 85 85 PHE HE2 H 6.700 0.000 . 691 85 85 PHE HZ H 6.730 0.000 . 692 85 85 PHE N N 125.770 0.000 . 693 88 88 ASN HB2 H 2.603 0.000 . 694 88 88 ASN HB3 H 2.659 0.000 . 695 88 88 ASN HD21 H 7.266 0.000 . 696 88 88 ASN HD22 H 6.828 0.000 . 697 88 88 ASN ND2 N 112.700 0.000 . 698 95 95 GLU HA H 4.259 0.000 . 699 95 95 GLU HB2 H 1.773 0.000 . 700 95 95 GLU HB3 H 1.839 0.000 . 701 95 95 GLU HG2 H 2.100 0.000 . 702 95 95 GLU HG3 H 2.217 0.000 . 703 95 95 GLU C C 175.650 0.000 . 704 95 95 GLU CA C 56.870 0.000 . 705 95 95 GLU CB C 30.010 0.000 . 706 96 96 GLY H H 7.841 0.000 . 707 96 96 GLY HA2 H 4.391 0.000 . 708 96 96 GLY HA3 H 3.883 0.000 . 709 96 96 GLY C C 172.310 0.000 . 710 96 96 GLY CA C 45.390 0.000 . 711 96 96 GLY N N 108.460 0.000 . 712 97 97 GLU H H 8.278 0.000 . 713 97 97 GLU HA H 4.515 0.000 . 714 97 97 GLU HB2 H 1.880 0.000 . 715 97 97 GLU HB3 H 1.968 0.000 . 716 97 97 GLU HG2 H 2.143 0.000 . 717 97 97 GLU HG3 H 2.184 0.000 . 718 97 97 GLU C C 176.240 0.000 . 719 97 97 GLU CA C 55.790 0.000 . 720 97 97 GLU CB C 32.960 0.000 . 721 97 97 GLU N N 121.120 0.000 . 722 98 98 GLY C C 172.880 0.000 . 723 98 98 GLY CA C 45.150 0.000 . 724 99 99 TYR H H 9.078 0.000 . 725 99 99 TYR HA H 4.900 0.000 . 726 99 99 TYR HB2 H 2.627 0.000 . 727 99 99 TYR HB3 H 2.667 0.000 . 728 99 99 TYR HD1 H 6.940 0.000 . 729 99 99 TYR HD2 H 6.940 0.000 . 730 99 99 TYR HE1 H 6.755 0.000 . 731 99 99 TYR HE2 H 6.755 0.000 . 732 99 99 TYR C C 174.110 0.000 . 733 99 99 TYR CA C 57.730 0.000 . 734 99 99 TYR CB C 43.490 0.000 . 735 99 99 TYR N N 120.160 0.000 . 736 100 100 LYS H H 8.857 0.000 . 737 100 100 LYS HA H 4.695 0.000 . 738 100 100 LYS HB2 H 1.527 0.000 . 739 100 100 LYS HB3 H 1.559 0.000 . 740 100 100 LYS HG2 H 1.337 0.000 . 741 100 100 LYS HG3 H 1.369 0.000 . 742 100 100 LYS HD2 H 1.450 0.000 . 743 100 100 LYS HD3 H 1.450 0.000 . 744 100 100 LYS C C 173.850 0.000 . 745 100 100 LYS CA C 55.160 0.000 . 746 100 100 LYS CB C 35.280 0.000 . 747 100 100 LYS N N 122.890 0.000 . 748 101 101 LEU H H 9.281 0.000 . 749 101 101 LEU HA H 4.670 0.000 . 750 101 101 LEU HB2 H 1.153 0.000 . 751 101 101 LEU HB3 H 1.515 0.000 . 752 101 101 LEU HG H 0.958 0.000 . 753 101 101 LEU HD1 H 0.697 0.000 . 754 101 101 LEU HD2 H 0.558 0.000 . 755 101 101 LEU N N 132.810 0.000 . 756 102 102 VAL HA H 5.170 0.000 . 757 102 102 VAL HB H 1.584 0.000 . 758 102 102 VAL HG1 H 0.864 0.000 . 759 102 102 VAL HG2 H 0.728 0.000 . 760 102 102 VAL C C 174.400 0.000 . 761 103 103 TRP H H 9.630 0.000 . 762 103 103 TRP HA H 5.730 0.000 . 763 103 103 TRP HB2 H 3.020 0.000 . 764 103 103 TRP HB3 H 3.164 0.000 . 765 103 103 TRP HD1 H 7.122 0.000 . 766 103 103 TRP HE1 H 9.341 0.000 . 767 103 103 TRP HE3 H 7.660 0.000 . 768 103 103 TRP HZ2 H 6.650 0.000 . 769 103 103 TRP HZ3 H 6.820 0.000 . 770 103 103 TRP HH2 H 6.770 0.000 . 771 103 103 TRP C C 175.410 0.000 . 772 103 103 TRP CA C 57.880 0.000 . 773 103 103 TRP N N 127.630 0.000 . 774 103 103 TRP NE1 N 129.440 0.000 . 775 104 104 LYS H H 8.608 0.000 . 776 104 104 LYS HA H 5.556 0.000 . 777 104 104 LYS HB2 H 1.658 0.000 . 778 104 104 LYS HB3 H 1.785 0.000 . 779 104 104 LYS HG2 H 1.323 0.000 . 780 104 104 LYS HG3 H 1.480 0.000 . 781 104 104 LYS HD2 H 1.576 0.000 . 782 104 104 LYS HD3 H 1.576 0.000 . 783 104 104 LYS C C 176.390 0.000 . 784 104 104 LYS CA C 54.830 0.000 . 785 104 104 LYS CB C 36.780 0.000 . 786 104 104 LYS N N 119.570 0.000 . 787 105 105 SER H H 9.599 0.000 . 788 105 105 SER HA H 4.714 0.000 . 789 105 105 SER HB2 H 3.854 0.000 . 790 105 105 SER HB3 H 4.481 0.000 . 791 105 105 SER C C 172.510 0.000 . 792 105 105 SER CA C 58.360 0.000 . 793 105 105 SER CB C 65.500 0.000 . 794 105 105 SER N N 122.020 0.000 . 795 106 106 ALA H H 8.533 0.000 . 796 106 106 ALA HA H 4.241 0.000 . 797 106 106 ALA HB H 1.435 0.000 . 798 106 106 ALA C C 178.270 0.000 . 799 106 106 ALA CA C 52.830 0.000 . 800 106 106 ALA CB C 18.850 0.000 . 801 106 106 ALA N N 122.030 0.000 . 802 107 107 ALA H H 8.486 0.000 . 803 107 107 ALA HA H 4.691 0.000 . 804 107 107 ALA HB H 1.321 0.000 . 805 107 107 ALA C C 177.800 0.000 . 806 107 107 ALA CA C 52.440 0.000 . 807 107 107 ALA CB C 19.730 0.000 . 808 107 107 ALA N N 126.360 0.000 . 809 108 108 GLN H H 8.891 0.000 . 810 108 108 GLN HA H 4.729 0.000 . 811 108 108 GLN HB2 H 1.980 0.000 . 812 108 108 GLN HB3 H 2.128 0.000 . 813 108 108 GLN HG2 H 2.418 0.000 . 814 108 108 GLN HG3 H 2.451 0.000 . 815 108 108 GLN HE21 H 7.457 0.000 . 816 108 108 GLN HE22 H 6.943 0.000 . 817 108 108 GLN C C 175.540 0.000 . 818 108 108 GLN CA C 54.510 0.000 . 819 108 108 GLN CB C 32.140 0.000 . 820 108 108 GLN N N 120.890 0.000 . 821 108 108 GLN NE2 N 112.380 0.000 . 822 109 109 ARG HA H 4.600 0.000 . 823 109 109 ARG HB2 H 1.690 0.000 . 824 109 109 ARG HB3 H 1.801 0.000 . 825 109 109 ARG HG2 H 1.472 0.000 . 826 109 109 ARG HG3 H 1.501 0.000 . 827 109 109 ARG HD2 H 2.927 0.000 . 828 109 109 ARG HD3 H 2.949 0.000 . 829 109 109 ARG C C 176.290 0.000 . 830 109 109 ARG CA C 56.570 0.000 . 831 109 109 ARG CB C 31.200 0.000 . 832 110 110 SER H H 8.656 0.000 . 833 110 110 SER HA H 4.760 0.000 . 834 110 110 SER HB2 H 3.860 0.000 . 835 110 110 SER HB3 H 3.977 0.000 . 836 110 110 SER C C 175.450 0.000 . 837 110 110 SER CA C 57.200 0.000 . 838 110 110 SER CB C 64.870 0.000 . 839 110 110 SER N N 120.210 0.000 . 840 111 111 HIS CA C 58.390 0.000 . 841 111 111 HIS CB C 30.580 0.000 . 842 112 112 ASP H H 8.006 0.000 . 843 112 112 ASP HA H 4.520 0.000 . 844 112 112 ASP HB2 H 2.402 0.000 . 845 112 112 ASP HB3 H 2.874 0.000 . 846 112 112 ASP C C 175.530 0.000 . 847 112 112 ASP CA C 53.310 0.000 . 848 112 112 ASP CB C 39.540 0.000 . 849 112 112 ASP N N 118.450 0.000 . 850 113 113 GLN H H 8.122 0.000 . 851 113 113 GLN HA H 3.870 0.000 . 852 113 113 GLN HB2 H 2.300 0.000 . 853 113 113 GLN HB3 H 2.360 0.000 . 854 113 113 GLN HG2 H 2.290 0.000 . 855 113 113 GLN HG3 H 2.350 0.000 . 856 113 113 GLN HE21 H 7.472 0.000 . 857 113 113 GLN HE22 H 6.820 0.000 . 858 113 113 GLN C C 175.270 0.000 . 859 113 113 GLN CA C 57.200 0.000 . 860 113 113 GLN CB C 26.690 0.000 . 861 113 113 GLN N N 112.060 0.000 . 862 113 113 GLN NE2 N 112.670 0.000 . 863 114 114 LYS H H 7.529 0.000 . 864 114 114 LYS HB2 H 1.686 0.000 . 865 114 114 LYS HB3 H 1.714 0.000 . 866 114 114 LYS HG2 H 1.219 0.000 . 867 114 114 LYS HG3 H 1.328 0.000 . 868 114 114 LYS HD2 H 1.504 0.000 . 869 114 114 LYS HD3 H 1.504 0.000 . 870 114 114 LYS C C 176.180 0.000 . 871 114 114 LYS CA C 55.520 0.000 . 872 114 114 LYS CB C 34.720 0.000 . 873 114 114 LYS N N 118.550 0.000 . 874 115 115 ILE H H 8.795 0.000 . 875 115 115 ILE HA H 4.750 0.000 . 876 115 115 ILE HB H 1.806 0.000 . 877 115 115 ILE HG12 H 1.528 0.000 . 878 115 115 ILE HG13 H 1.321 0.000 . 879 115 115 ILE HG2 H 0.918 0.000 . 880 115 115 ILE HD1 H 0.812 0.000 . 881 115 115 ILE CA C 60.460 0.000 . 882 115 115 ILE N N 119.830 0.000 . 883 116 116 ARG H H 8.466 0.000 . 884 116 116 ARG N N 121.850 0.000 . 885 117 117 TRP H H 8.539 0.000 . 886 117 117 TRP HA H 4.800 0.000 . 887 117 117 TRP HB2 H 3.136 0.000 . 888 117 117 TRP HB3 H 3.390 0.000 . 889 117 117 TRP HD1 H 7.245 0.000 . 890 117 117 TRP HE1 H 10.060 0.000 . 891 117 117 TRP HE3 H 7.350 0.000 . 892 117 117 TRP HZ2 H 6.910 0.000 . 893 117 117 TRP HZ3 H 7.010 0.000 . 894 117 117 TRP HH2 H 7.150 0.000 . 895 117 117 TRP C C 176.640 0.000 . 896 117 117 TRP CA C 56.330 0.000 . 897 117 117 TRP N N 122.130 0.000 . 898 117 117 TRP NE1 N 128.680 0.000 . 899 118 118 ASP H H 8.775 0.000 . 900 118 118 ASP HA H 5.592 0.000 . 901 118 118 ASP HB2 H 2.507 0.000 . 902 118 118 ASP HB3 H 2.935 0.000 . 903 118 118 ASP C C 175.560 0.000 . 904 118 118 ASP CA C 53.070 0.000 . 905 118 118 ASP CB C 44.560 0.000 . 906 118 118 ASP N N 119.130 0.000 . 907 119 119 GLU H H 9.316 0.000 . 908 119 119 GLU HA H 5.830 0.000 . 909 119 119 GLU HB2 H 2.150 0.000 . 910 119 119 GLU HB3 H 2.227 0.000 . 911 119 119 GLU HG2 H 2.431 0.000 . 912 119 119 GLU HG3 H 2.508 0.000 . 913 119 119 GLU C C 174.620 0.000 . 914 119 119 GLU CA C 54.980 0.000 . 915 119 119 GLU CB C 35.530 0.000 . 916 119 119 GLU N N 120.700 0.000 . 917 120 120 ALA H H 9.313 0.000 . 918 120 120 ALA HA H 5.313 0.000 . 919 120 120 ALA HB H 1.301 0.000 . 920 120 120 ALA C C 175.040 0.000 . 921 120 120 ALA CA C 50.440 0.000 . 922 120 120 ALA CB C 23.740 0.000 . 923 120 120 ALA N N 123.920 0.000 . 924 121 121 GLU H H 9.262 0.000 . 925 121 121 GLU HA H 5.676 0.000 . 926 121 121 GLU HB2 H 2.040 0.000 . 927 121 121 GLU HB3 H 2.095 0.000 . 928 121 121 GLU HG2 H 2.163 0.000 . 929 121 121 GLU HG3 H 2.214 0.000 . 930 121 121 GLU C C 175.310 0.000 . 931 121 121 GLU CA C 53.400 0.000 . 932 121 121 GLU CB C 34.280 0.000 . 933 121 121 GLU N N 119.670 0.000 . 934 122 122 ALA H H 9.783 0.000 . 935 122 122 ALA HA H 5.168 0.000 . 936 122 122 ALA HB H 1.349 0.000 . 937 122 122 ALA C C 174.480 0.000 . 938 122 122 ALA CA C 50.380 0.000 . 939 122 122 ALA CB C 21.990 0.000 . 940 122 122 ALA N N 125.190 0.000 . 941 123 123 TYR H H 8.792 0.000 . 942 123 123 TYR HA H 5.293 0.000 . 943 123 123 TYR HB2 H 2.746 0.000 . 944 123 123 TYR HB3 H 2.886 0.000 . 945 123 123 TYR HD1 H 7.000 0.000 . 946 123 123 TYR HD2 H 7.000 0.000 . 947 123 123 TYR HE1 H 6.620 0.000 . 948 123 123 TYR HE2 H 6.620 0.000 . 949 123 123 TYR C C 174.930 0.000 . 950 123 123 TYR CA C 56.750 0.000 . 951 123 123 TYR CB C 38.600 0.000 . 952 123 123 TYR N N 122.650 0.000 . 953 124 124 ILE H H 8.527 0.000 . 954 124 124 ILE HA H 5.248 0.000 . 955 124 124 ILE HB H 1.481 0.000 . 956 124 124 ILE HG12 H 0.913 0.000 . 957 124 124 ILE HG13 H 0.868 0.000 . 958 124 124 ILE HG2 H 0.429 0.000 . 959 124 124 ILE HD1 H 0.513 0.000 . 960 124 124 ILE C C 174.310 0.000 . 961 124 124 ILE CA C 59.230 0.000 . 962 124 124 ILE CB C 42.550 0.000 . 963 124 124 ILE N N 124.020 0.000 . 964 125 125 TRP H H 9.480 0.000 . 965 125 125 TRP HA H 5.722 0.000 . 966 125 125 TRP HB2 H 3.203 0.000 . 967 125 125 TRP HB3 H 3.270 0.000 . 968 125 125 TRP HD1 H 6.970 0.000 . 969 125 125 TRP HE1 H 9.650 0.000 . 970 125 125 TRP HE3 H 7.430 0.000 . 971 125 125 TRP HZ2 H 7.080 0.000 . 972 125 125 TRP HZ3 H 7.920 0.000 . 973 125 125 TRP HH2 H 6.960 0.000 . 974 125 125 TRP C C 175.250 0.000 . 975 125 125 TRP CA C 54.510 0.000 . 976 125 125 TRP CB C 32.830 0.000 . 977 125 125 TRP N N 128.260 0.000 . 978 125 125 TRP NE1 N 127.920 0.000 . 979 126 126 ARG H H 9.497 0.000 . 980 126 126 ARG HA H 5.215 0.000 . 981 126 126 ARG HB2 H 2.010 0.000 . 982 126 126 ARG HB3 H 2.059 0.000 . 983 126 126 ARG HG2 H 1.636 0.000 . 984 126 126 ARG HG3 H 1.713 0.000 . 985 126 126 ARG C C 176.990 0.000 . 986 126 126 ARG N N 125.370 0.000 . 987 127 127 ARG H H 9.214 0.000 . 988 127 127 ARG HA H 4.556 0.000 . 989 127 127 ARG HB2 H 1.811 0.000 . 990 127 127 ARG HB3 H 2.084 0.000 . 991 127 127 ARG HG2 H 1.612 0.000 . 992 127 127 ARG HG3 H 1.703 0.000 . 993 127 127 ARG C C 178.460 0.000 . 994 127 127 ARG N N 126.460 0.000 . 995 128 128 LYS HB2 H 1.918 0.000 . 996 128 128 LYS HB3 H 2.078 0.000 . 997 128 128 LYS HG2 H 1.541 0.000 . 998 128 128 LYS HG3 H 1.583 0.000 . 999 128 128 LYS C C 177.150 0.000 . 1000 128 128 LYS CA C 59.260 0.000 . 1001 128 128 LYS CB C 32.210 0.000 . 1002 129 129 ASP H H 7.682 0.000 . 1003 129 129 ASP HA H 4.524 0.000 . 1004 129 129 ASP HB2 H 2.624 0.000 . 1005 129 129 ASP HB3 H 3.128 0.000 . 1006 129 129 ASP C C 176.990 0.000 . 1007 129 129 ASP CA C 53.730 0.000 . 1008 129 129 ASP CB C 39.980 0.000 . 1009 129 129 ASP N N 115.330 0.000 . 1010 130 130 GLY H H 8.353 0.000 . 1011 130 130 GLY HA2 H 4.430 0.000 . 1012 130 130 GLY HA3 H 3.589 0.000 . 1013 130 130 GLY C C 173.940 0.000 . 1014 130 130 GLY CA C 45.240 0.000 . 1015 130 130 GLY N N 109.370 0.000 . 1016 131 131 SER H H 8.353 0.000 . 1017 131 131 SER HA H 4.416 0.000 . 1018 131 131 SER HB2 H 3.922 0.000 . 1019 131 131 SER HB3 H 3.998 0.000 . 1020 131 131 SER C C 173.520 0.000 . 1021 131 131 SER CA C 58.600 0.000 . 1022 131 131 SER CB C 64.430 0.000 . 1023 131 131 SER N N 117.670 0.000 . 1024 132 132 CYS H H 8.486 0.000 . 1025 132 132 CYS HA H 5.464 0.000 . 1026 132 132 CYS HB2 H 2.320 0.000 . 1027 132 132 CYS HB3 H 2.950 0.000 . 1028 132 132 CYS C C 173.920 0.000 . 1029 132 132 CYS CA C 59.320 0.000 . 1030 132 132 CYS CB C 30.580 0.000 . 1031 132 132 CYS N N 117.720 0.000 . 1032 133 133 TRP H H 9.446 0.000 . 1033 133 133 TRP HA H 5.431 0.000 . 1034 133 133 TRP HB2 H 2.914 0.000 . 1035 133 133 TRP HB3 H 3.610 0.000 . 1036 133 133 TRP HD1 H 7.493 0.000 . 1037 133 133 TRP HE1 H 10.700 0.000 . 1038 133 133 TRP HE3 H 7.470 0.000 . 1039 133 133 TRP HZ2 H 7.620 0.000 . 1040 133 133 TRP HZ3 H 6.810 0.000 . 1041 133 133 TRP HH2 H 7.170 0.000 . 1042 133 133 TRP C C 174.400 0.000 . 1043 133 133 TRP CA C 54.420 0.000 . 1044 133 133 TRP N N 124.750 0.000 . 1045 133 133 TRP NE1 N 130.250 0.000 . 1046 134 134 LEU H H 9.650 0.000 . 1047 134 134 LEU HA H 4.394 0.000 . 1048 134 134 LEU HB2 H 0.926 0.000 . 1049 134 134 LEU HB3 H 1.376 0.000 . 1050 134 134 LEU HG H 0.785 0.000 . 1051 134 134 LEU HD1 H 0.422 0.000 . 1052 134 134 LEU HD2 H 0.208 0.000 . 1053 134 134 LEU CA C 54.300 0.000 . 1054 134 134 LEU CB C 39.480 0.000 . 1055 134 134 LEU N N 132.590 0.000 . 1056 135 135 HIS H H 7.876 0.000 . 1057 135 135 HIS HA H 4.381 0.000 . 1058 135 135 HIS HB2 H 3.687 0.000 . 1059 135 135 HIS HB3 H 3.742 0.000 . 1060 135 135 HIS C C 176.760 0.000 . 1061 135 135 HIS CA C 57.910 0.000 . 1062 135 135 HIS CB C 31.080 0.000 . 1063 135 135 HIS N N 125.380 0.000 . 1064 136 136 SER H H 7.447 0.000 . 1065 136 136 SER HA H 5.330 0.000 . 1066 136 136 SER HB2 H 3.665 0.000 . 1067 136 136 SER HB3 H 3.701 0.000 . 1068 136 136 SER C C 172.550 0.000 . 1069 136 136 SER CA C 57.080 0.000 . 1070 136 136 SER CB C 65.250 0.000 . 1071 136 136 SER N N 110.720 0.000 . 1072 137 137 VAL H H 8.973 0.000 . 1073 137 137 VAL HA H 5.154 0.000 . 1074 137 137 VAL HB H 1.792 0.000 . 1075 137 137 VAL HG1 H 0.558 0.000 . 1076 137 137 VAL HG2 H 0.456 0.000 . 1077 137 137 VAL C C 173.740 0.000 . 1078 137 137 VAL CA C 59.920 0.000 . 1079 137 137 VAL CB C 35.410 0.000 . 1080 137 137 VAL N N 120.060 0.000 . 1081 138 138 LYS H H 9.313 0.000 . 1082 138 138 LYS HA H 5.465 0.000 . 1083 138 138 LYS HB2 H 1.773 0.000 . 1084 138 138 LYS HB3 H 1.907 0.000 . 1085 138 138 LYS HG2 H 1.215 0.000 . 1086 138 138 LYS HG3 H 1.363 0.000 . 1087 138 138 LYS C C 174.770 0.000 . 1088 138 138 LYS CA C 54.950 0.000 . 1089 138 138 LYS CB C 35.590 0.000 . 1090 138 138 LYS N N 122.700 0.000 . 1091 139 139 PHE H H 8.986 0.000 . 1092 139 139 PHE HA H 5.497 0.000 . 1093 139 139 PHE HB2 H 3.199 0.000 . 1094 139 139 PHE HB3 H 3.581 0.000 . 1095 139 139 PHE HD1 H 7.417 0.000 . 1096 139 139 PHE HD2 H 7.417 0.000 . 1097 139 139 PHE HE1 H 6.860 0.000 . 1098 139 139 PHE HE2 H 6.860 0.000 . 1099 139 139 PHE HZ H 6.830 0.000 . 1100 139 139 PHE C C 176.500 0.000 . 1101 139 139 PHE CA C 57.670 0.000 . 1102 139 139 PHE CB C 42.110 0.000 . 1103 139 139 PHE N N 120.790 0.000 . 1104 140 140 ILE H H 9.817 0.000 . 1105 140 140 ILE HA H 4.579 0.000 . 1106 140 140 ILE HB H 1.923 0.000 . 1107 140 140 ILE HG12 H 1.400 0.000 . 1108 140 140 ILE HG13 H 1.165 0.000 . 1109 140 140 ILE HG2 H 0.851 0.000 . 1110 140 140 ILE HD1 H 0.567 0.000 . 1111 140 140 ILE C C 173.790 0.000 . 1112 140 140 ILE CA C 62.220 0.000 . 1113 140 140 ILE CB C 39.790 0.000 . 1114 140 140 ILE N N 129.530 0.000 . 1115 141 141 MET H H 8.956 0.000 . 1116 141 141 MET HA H 5.168 0.000 . 1117 141 141 MET HB2 H 2.014 0.000 . 1118 141 141 MET HB3 H 2.129 0.000 . 1119 141 141 MET HG2 H 2.492 0.000 . 1120 141 141 MET HG3 H 2.543 0.000 . 1121 141 141 MET HE H 2.040 0.000 . 1122 141 141 MET C C 177.160 0.000 . 1123 141 141 MET CA C 52.920 0.000 . 1124 141 141 MET CB C 31.520 0.000 . 1125 141 141 MET N N 123.330 0.000 . 1126 142 142 SER H H 9.722 0.000 . 1127 142 142 SER HA H 3.990 0.000 . 1128 142 142 SER HB2 H 3.710 0.000 . 1129 142 142 SER HB3 H 3.772 0.000 . 1130 142 142 SER C C 175.530 0.000 . 1131 142 142 SER CA C 58.990 0.000 . 1132 142 142 SER CB C 62.550 0.000 . 1133 142 142 SER N N 120.060 0.000 . 1134 143 143 LYS H H 8.435 0.000 . 1135 143 143 LYS HA H 3.742 0.000 . 1136 143 143 LYS HB2 H 0.704 0.000 . 1137 143 143 LYS HB3 H 1.055 0.000 . 1138 143 143 LYS HG2 H 1.418 0.000 . 1139 143 143 LYS HG3 H 1.511 0.000 . 1140 143 143 LYS C C 174.250 0.000 . 1141 143 143 LYS CA C 57.230 0.000 . 1142 143 143 LYS CB C 32.520 0.000 . 1143 143 143 LYS N N 122.940 0.000 . 1144 144 144 ALA H H 7.625 0.000 . 1145 144 144 ALA HA H 5.159 0.000 . 1146 144 144 ALA HB H 1.219 0.000 . 1147 144 144 ALA C C 177.320 0.000 . 1148 144 144 ALA CA C 50.500 0.000 . 1149 144 144 ALA CB C 22.550 0.000 . 1150 144 144 ALA N N 121.920 0.000 . 1151 145 145 ALA H H 8.629 0.000 . 1152 145 145 ALA HA H 4.754 0.000 . 1153 145 145 ALA HB H 1.520 0.000 . 1154 145 145 ALA C C 174.670 0.000 . 1155 145 145 ALA CA C 50.590 0.000 . 1156 145 145 ALA CB C 19.670 0.000 . 1157 145 145 ALA N N 123.480 0.000 . 1158 146 146 PRO HA H 4.535 0.000 . 1159 146 146 PRO HB2 H 1.824 0.000 . 1160 146 146 PRO HB3 H 2.350 0.000 . 1161 146 146 PRO HG2 H 2.022 0.000 . 1162 146 146 PRO HG3 H 2.056 0.000 . 1163 146 146 PRO HD2 H 3.694 0.000 . 1164 146 146 PRO HD3 H 3.842 0.000 . 1165 146 146 PRO C C 176.240 0.000 . 1166 146 146 PRO CA C 63.300 0.000 . 1167 146 146 PRO CB C 32.400 0.000 . 1168 147 147 TYR H H 8.128 0.000 . 1169 147 147 TYR HA H 4.586 0.000 . 1170 147 147 TYR HB2 H 2.826 0.000 . 1171 147 147 TYR HB3 H 2.908 0.000 . 1172 147 147 TYR HD1 H 7.019 0.000 . 1173 147 147 TYR HD2 H 7.019 0.000 . 1174 147 147 TYR HE1 H 6.776 0.000 . 1175 147 147 TYR HE2 H 6.776 0.000 . 1176 147 147 TYR C C 174.900 0.000 . 1177 147 147 TYR CA C 57.920 0.000 . 1178 147 147 TYR CB C 39.290 0.000 . 1179 147 147 TYR N N 120.750 0.000 . 1180 148 148 VAL H H 7.900 0.000 . 1181 148 148 VAL HA H 3.957 0.000 . 1182 148 148 VAL HB H 1.915 0.000 . 1183 148 148 VAL HG1 H 0.851 0.000 . 1184 148 148 VAL HG2 H 0.823 0.000 . 1185 148 148 VAL C C 174.600 0.000 . 1186 148 148 VAL CA C 61.590 0.000 . 1187 148 148 VAL CB C 33.510 0.000 . 1188 148 148 VAL N N 125.920 0.000 . 1189 149 149 ALA H H 7.812 0.000 . 1190 149 149 ALA HA H 3.985 0.000 . 1191 149 149 ALA HB H 1.303 0.000 . 1192 149 149 ALA C C 177.410 0.000 . 1193 149 149 ALA CA C 52.490 0.000 . 1194 149 149 ALA CB C 19.370 0.000 . 1195 149 149 ALA N N 133.880 0.000 . stop_ save_