data_30353 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Rap1b/talin complex ; _BMRB_accession_number 30353 _BMRB_flat_file_name bmr30353.str _Entry_type original _Submission_date 2017-10-12 _Accession_date 2017-10-12 _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 Zhu L. . . 2 Yang J. . . 3 Qin J. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 5 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1936 "13C chemical shifts" 1391 "15N chemical shifts" 399 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-11-28 original BMRB . stop_ _Original_release_date 2017-10-24 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of Rap1b bound to talin reveals a pathway for triggering integrin activation ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29170462 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhu Liang . . 2 Yang Jun . . 3 Bromberger Thomas . . 4 Holly Ashley . . 5 Lu Fan . . 6 Liu Huan . . 7 Sun Kevin . . 8 Klapproth Sarah . . 9 Hirbawi Jamila . . 10 Byzova Tatiana V. . 11 Plow Edward F. . 12 Moser Markus . . 13 Qin Jun . . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_name_full 'Nature communications' _Journal_volume 8 _Journal_issue 1 _Journal_ISSN 2041-1723 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1744 _Page_last 1744 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Talin-1, Ras-related protein Rap-1b' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 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 10607.293 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 93 _Mol_residue_sequence ; GAMDPEFMVALSLKISIGNV VKTMQFEPSTMVYDACRMIR ERIPEALAGPPNDFGLFLSD DDPKKGIWLEAGKALDYYML RNGDTMEYRKKQR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -6 GLY 2 -5 ALA 3 -4 MET 4 -3 ASP 5 -2 PRO 6 -1 GLU 7 0 PHE 8 1 MET 9 2 VAL 10 3 ALA 11 4 LEU 12 5 SER 13 6 LEU 14 7 LYS 15 8 ILE 16 9 SER 17 10 ILE 18 11 GLY 19 12 ASN 20 13 VAL 21 14 VAL 22 15 LYS 23 16 THR 24 17 MET 25 18 GLN 26 19 PHE 27 20 GLU 28 21 PRO 29 22 SER 30 23 THR 31 24 MET 32 25 VAL 33 26 TYR 34 27 ASP 35 28 ALA 36 29 CYS 37 30 ARG 38 31 MET 39 32 ILE 40 33 ARG 41 34 GLU 42 35 ARG 43 36 ILE 44 37 PRO 45 38 GLU 46 39 ALA 47 40 LEU 48 41 ALA 49 42 GLY 50 43 PRO 51 44 PRO 52 45 ASN 53 46 ASP 54 47 PHE 55 48 GLY 56 49 LEU 57 50 PHE 58 51 LEU 59 52 SER 60 53 ASP 61 54 ASP 62 55 ASP 63 56 PRO 64 57 LYS 65 58 LYS 66 59 GLY 67 60 ILE 68 61 TRP 69 62 LEU 70 63 GLU 71 64 ALA 72 65 GLY 73 66 LYS 74 67 ALA 75 68 LEU 76 69 ASP 77 70 TYR 78 71 TYR 79 72 MET 80 73 LEU 81 74 ARG 82 75 ASN 83 76 GLY 84 77 ASP 85 78 THR 86 79 MET 87 80 GLU 88 81 TYR 89 82 ARG 90 83 LYS 91 84 LYS 92 85 GLN 93 86 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 19200.734 _Mol_thiol_state 'all free' _Details . _Residue_count 168 _Mol_residue_sequence ; HMREYKLVVLGSVGVGKSAL TVQFVQGIFVEKYDPTIEDS YRKQVEVDAQQCMLEILDTA GTEQFTAMRDLYMKNGQGFA LVYSITAQSTFNDLQDLREQ ILRVKDTDDVPMILVGNKCD LEDERVVGKEQGQNLARQWN NCAFLESSAKSKINVNEIFY DLVRQINR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 HIS 2 1 MET 3 2 ARG 4 3 GLU 5 4 TYR 6 5 LYS 7 6 LEU 8 7 VAL 9 8 VAL 10 9 LEU 11 10 GLY 12 11 SER 13 12 VAL 14 13 GLY 15 14 VAL 16 15 GLY 17 16 LYS 18 17 SER 19 18 ALA 20 19 LEU 21 20 THR 22 21 VAL 23 22 GLN 24 23 PHE 25 24 VAL 26 25 GLN 27 26 GLY 28 27 ILE 29 28 PHE 30 29 VAL 31 30 GLU 32 31 LYS 33 32 TYR 34 33 ASP 35 34 PRO 36 35 THR 37 36 ILE 38 37 GLU 39 38 ASP 40 39 SER 41 40 TYR 42 41 ARG 43 42 LYS 44 43 GLN 45 44 VAL 46 45 GLU 47 46 VAL 48 47 ASP 49 48 ALA 50 49 GLN 51 50 GLN 52 51 CYS 53 52 MET 54 53 LEU 55 54 GLU 56 55 ILE 57 56 LEU 58 57 ASP 59 58 THR 60 59 ALA 61 60 GLY 62 61 THR 63 62 GLU 64 63 GLN 65 64 PHE 66 65 THR 67 66 ALA 68 67 MET 69 68 ARG 70 69 ASP 71 70 LEU 72 71 TYR 73 72 MET 74 73 LYS 75 74 ASN 76 75 GLY 77 76 GLN 78 77 GLY 79 78 PHE 80 79 ALA 81 80 LEU 82 81 VAL 83 82 TYR 84 83 SER 85 84 ILE 86 85 THR 87 86 ALA 88 87 GLN 89 88 SER 90 89 THR 91 90 PHE 92 91 ASN 93 92 ASP 94 93 LEU 95 94 GLN 96 95 ASP 97 96 LEU 98 97 ARG 99 98 GLU 100 99 GLN 101 100 ILE 102 101 LEU 103 102 ARG 104 103 VAL 105 104 LYS 106 105 ASP 107 106 THR 108 107 ASP 109 108 ASP 110 109 VAL 111 110 PRO 112 111 MET 113 112 ILE 114 113 LEU 115 114 VAL 116 115 GLY 117 116 ASN 118 117 LYS 119 118 CYS 120 119 ASP 121 120 LEU 122 121 GLU 123 122 ASP 124 123 GLU 125 124 ARG 126 125 VAL 127 126 VAL 128 127 GLY 129 128 LYS 130 129 GLU 131 130 GLN 132 131 GLY 133 132 GLN 134 133 ASN 135 134 LEU 136 135 ALA 137 136 ARG 138 137 GLN 139 138 TRP 140 139 ASN 141 140 ASN 142 141 CYS 143 142 ALA 144 143 PHE 145 144 LEU 146 145 GLU 147 146 SER 148 147 SER 149 148 ALA 150 149 LYS 151 150 SER 152 151 LYS 153 152 ILE 154 153 ASN 155 154 VAL 156 155 ASN 157 156 GLU 158 157 ILE 159 158 PHE 160 159 TYR 161 160 ASP 162 161 LEU 163 162 VAL 164 163 ARG 165 164 GLN 166 165 ILE 167 166 ASN 168 167 ARG 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 _Gene_mnemonic $entity_1 Mouse 10090 Eukaryota Metazoa Mus musculus 'Tln1, Tln' $entity_2 Human 9606 Eukaryota Metazoa Homo sapiens 'RAP1B, OK/SW-cl.11' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . Escherichia coli BL21(DE3) plasmid pET28 $entity_2 'recombinant technology' . Escherichia coli BL21(DE3) plasmid pET28 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.6 mM [U-13C; U-15N] Rap1b, 0.9 mM talin-F0, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 0.6 mM '[U-13C; U-15N]' $entity_1 0.9 mM 'natural abundance' NaCl 50 mM 'natural abundance' MgCl2 5 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '0.5 mM [U-13C; U-15N] talin-F0, 0.7 mM Rap1b, 95% H20, 5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 0.7 mM 'natural abundance' $entity_1 0.5 mM '[U-13C; U-15N]' NaCl 50 mM 'natural abundance' MgCl2 5 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '0.5 mM [U-15N; U-2H] talin-F0, 0.7 mM Rap1b, 95% H20, 5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 0.7 mM 'natural abundance' $entity_1 0.5 mM '[U-15N; U-2H]' NaCl 50 mM 'natural abundance' MgCl2 5 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details '0.5 mM [U-13C; U-15N] talin-F0, 0.7 mM Rap1b, 0.2% H20, 99.8% D20' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 0.7 mM 'natural abundance' $entity_1 0.5 mM '[U-13C; U-15N]' NaCl 50 mM 'natural abundance' MgCl2 5 mM 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details '0.6 mM [U-13C; U-15N] Rap1b, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 0.6 mM '[U-13C; U-15N]' NaCl 50 mM 'natural abundance' MgCl2 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name PASA _Version . loop_ _Vendor _Address _Electronic_address 'Xu, Wang, Yang, Vaynberg, Qin' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name PIPP _Version . loop_ _Vendor _Address _Electronic_address Garrett . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement 'structure calculation' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 850 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N/13C-edited_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D_15N/13C-edited NOESY' _Sample_label $sample_1 save_ save_3D_15N/13C-edited_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D_15N/13C-edited NOESY' _Sample_label $sample_2 save_ save_3D_15N-edited_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D_15N-edited NOESY' _Sample_label $sample_3 save_ save_3D_15N/13C-filtered_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D_15N/13C-filtered NOESY' _Sample_label $sample_4 save_ save_Standard_triple-resonance_experiments_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'Standard triple-resonance experiments' _Sample_label $sample_5 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' 55 . mM pH 6.6 . pH pressure 101325 . Pa temperature 301 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 55 . mM pH 6.6 . pH pressure 101325 . Pa temperature 301 . 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D_15N/13C-edited NOESY' '3D_15N-edited NOESY' '3D_15N/13C-filtered NOESY' 'Standard triple-resonance experiments' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 $sample_5 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 1 8 MET HA H 4.353 0.03 1 2 1 8 MET HB2 H 1.833 0.03 2 3 1 8 MET HG2 H 2.239 0.03 2 4 1 8 MET C C 174.681 0.50 1 5 1 8 MET CA C 55.450 0.50 1 6 1 8 MET CB C 33.800 0.50 1 7 1 8 MET CG C 30.790 0.50 1 8 6 13 LEU H H 9.301 0.03 1 9 6 13 LEU HA H 5.049 0.03 1 10 6 13 LEU HB2 H 1.740 0.03 2 11 6 13 LEU HB3 H 0.986 0.03 2 12 6 13 LEU HG H 1.582 0.03 1 13 6 13 LEU HD1 H 0.854 0.03 2 14 6 13 LEU HD2 H 0.563 0.03 2 15 6 13 LEU C C 175.490 0.50 1 16 6 13 LEU CA C 52.240 0.50 1 17 6 13 LEU CB C 43.300 0.50 1 18 6 13 LEU CD1 C 26.990 0.50 2 19 6 13 LEU CD2 C 22.510 0.50 2 20 6 13 LEU N N 125.260 0.25 1 21 14 21 VAL H H 7.508 0.03 1 22 14 21 VAL HA H 3.833 0.03 1 23 14 21 VAL HB H 1.910 0.03 1 24 14 21 VAL HG1 H 1.025 0.03 2 25 14 21 VAL HG2 H 0.928 0.03 2 26 14 21 VAL C C 173.935 0.50 1 27 14 21 VAL CA C 63.020 0.50 1 28 14 21 VAL CB C 31.790 0.50 1 29 14 21 VAL CG1 C 21.680 0.50 2 30 14 21 VAL CG2 C 17.600 0.50 2 31 14 21 VAL N N 113.000 0.25 1 32 36 43 ILE H H 6.777 0.03 1 33 36 43 ILE HA H 3.959 0.03 1 34 36 43 ILE HB H 1.655 0.03 1 35 36 43 ILE HG12 H 1.261 0.03 2 36 36 43 ILE HG13 H 0.939 0.03 2 37 36 43 ILE HG2 H 0.779 0.03 1 38 36 43 ILE HD1 H 0.604 0.03 1 39 36 43 ILE CA C 61.840 0.50 1 40 36 43 ILE CB C 38.150 0.50 1 41 36 43 ILE CG1 C 27.200 0.50 1 42 36 43 ILE CG2 C 17.070 0.50 1 43 36 43 ILE CD1 C 12.450 0.50 1 44 36 43 ILE N N 120.251 0.25 1 45 69 76 ASP H H 8.062 0.03 1 46 69 76 ASP HA H 4.085 0.03 1 47 69 76 ASP HB2 H 2.549 0.03 2 48 69 76 ASP HB3 H 2.457 0.03 2 49 69 76 ASP C C 178.164 0.50 1 50 69 76 ASP CA C 57.470 0.50 1 51 69 76 ASP CB C 39.450 0.50 1 52 69 76 ASP N N 118.200 0.25 1 53 71 78 TYR H H 7.793 0.03 1 54 71 78 TYR HA H 4.446 0.03 1 55 71 78 TYR HB2 H 3.155 0.03 2 56 71 78 TYR HB3 H 2.878 0.03 2 57 71 78 TYR C C 179.620 0.50 1 58 71 78 TYR CA C 58.920 0.50 1 59 71 78 TYR CB C 36.800 0.50 1 60 71 78 TYR N N 116.770 0.25 1 61 72 79 MET H H 8.266 0.03 1 62 72 79 MET HA H 4.383 0.03 1 63 72 79 MET HB2 H 2.054 0.03 2 64 72 79 MET HG2 H 2.159 0.03 2 65 72 79 MET C C 176.509 0.50 1 66 72 79 MET CA C 59.130 0.50 1 67 72 79 MET CB C 32.020 0.50 1 68 72 79 MET CG C 34.030 0.50 1 69 72 79 MET N N 119.649 0.25 1 stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D_15N/13C-edited NOESY' '3D_15N-edited NOESY' '3D_15N/13C-filtered NOESY' 'Standard triple-resonance experiments' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 $sample_5 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_2 _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 3 ARG H H 8.541 0.03 1 2 2 3 ARG HA H 4.078 0.03 1 3 2 3 ARG HB2 H 1.670 0.03 2 4 2 3 ARG HB3 H 1.595 0.03 2 5 2 3 ARG HG2 H 1.508 0.03 2 6 2 3 ARG HG3 H 1.229 0.03 2 7 2 3 ARG HD2 H 3.063 0.03 2 8 2 3 ARG HD3 H 3.019 0.03 2 9 2 3 ARG C C 173.810 0.50 1 10 2 3 ARG CA C 56.520 0.50 1 11 2 3 ARG CB C 31.170 0.50 1 12 2 3 ARG CG C 26.960 0.50 1 13 2 3 ARG CD C 43.280 0.50 1 14 2 3 ARG N N 126.521 0.25 1 15 3 4 GLU H H 8.055 0.03 1 16 3 4 GLU HA H 5.356 0.03 1 17 3 4 GLU HB2 H 1.814 0.03 2 18 3 4 GLU HB3 H 1.730 0.03 2 19 3 4 GLU HG2 H 2.123 0.03 2 20 3 4 GLU HG3 H 1.891 0.03 2 21 3 4 GLU C C 175.615 0.50 1 22 3 4 GLU CA C 54.320 0.50 1 23 3 4 GLU CB C 31.460 0.50 1 24 3 4 GLU CG C 36.520 0.50 1 25 3 4 GLU N N 122.896 0.25 1 26 4 5 TYR H H 8.703 0.03 1 27 4 5 TYR HA H 4.959 0.03 1 28 4 5 TYR HB2 H 2.697 0.03 2 29 4 5 TYR HB3 H 2.388 0.03 2 30 4 5 TYR C C 174.387 0.50 1 31 4 5 TYR CA C 56.300 0.50 1 32 4 5 TYR CB C 40.920 0.50 1 33 4 5 TYR N N 122.206 0.25 1 34 5 6 LYS H H 8.699 0.03 1 35 5 6 LYS HA H 4.887 0.03 1 36 5 6 LYS HB2 H 1.714 0.03 2 37 5 6 LYS HB3 H 1.559 0.03 2 38 5 6 LYS HG2 H 1.355 0.03 2 39 5 6 LYS HG3 H 1.243 0.03 2 40 5 6 LYS HD2 H 1.483 0.03 2 41 5 6 LYS HE2 H 2.799 0.03 2 42 5 6 LYS C C 174.860 0.50 1 43 5 6 LYS CA C 55.950 0.50 1 44 5 6 LYS CB C 31.990 0.50 1 45 5 6 LYS CG C 24.740 0.50 1 46 5 6 LYS CD C 28.860 0.50 1 47 5 6 LYS CE C 41.700 0.50 1 48 5 6 LYS N N 123.473 0.25 1 49 7 8 VAL H H 7.993 0.03 1 50 7 8 VAL HA H 4.545 0.03 1 51 7 8 VAL HB H 1.888 0.03 1 52 7 8 VAL HG1 H 0.894 0.03 2 53 7 8 VAL HG2 H 0.710 0.03 2 54 7 8 VAL C C 173.414 0.50 1 55 7 8 VAL CA C 61.570 0.50 1 56 7 8 VAL CB C 34.580 0.50 1 57 7 8 VAL CG1 C 21.900 0.50 2 58 7 8 VAL CG2 C 21.180 0.50 2 59 7 8 VAL N N 122.101 0.25 1 60 8 9 VAL H H 8.858 0.03 1 61 8 9 VAL HA H 4.617 0.03 1 62 8 9 VAL HG1 H 0.837 0.03 2 63 8 9 VAL HG2 H 0.704 0.03 2 64 8 9 VAL C C 174.339 0.50 1 65 8 9 VAL CA C 62.090 0.50 1 66 8 9 VAL CB C 32.070 0.50 1 67 8 9 VAL CG1 C 22.450 0.50 2 68 8 9 VAL CG2 C 19.800 0.50 2 69 8 9 VAL N N 128.239 0.25 1 70 9 10 LEU H H 9.413 0.03 1 71 9 10 LEU HA H 4.590 0.03 1 72 9 10 LEU HB2 H 1.799 0.03 2 73 9 10 LEU HB3 H 1.685 0.03 2 74 9 10 LEU HD1 H 1.048 0.03 2 75 9 10 LEU HD2 H 0.949 0.03 2 76 9 10 LEU C C 174.044 0.50 1 77 9 10 LEU CA C 53.710 0.50 1 78 9 10 LEU CB C 46.800 0.50 1 79 9 10 LEU CD1 C 24.730 0.50 2 80 9 10 LEU CD2 C 28.460 0.50 2 81 9 10 LEU N N 127.701 0.25 1 82 10 11 GLY H H 7.986 0.03 1 83 10 11 GLY HA2 H 4.909 0.03 2 84 10 11 GLY HA3 H 3.713 0.03 2 85 10 11 GLY C C 173.423 0.50 1 86 10 11 GLY CA C 44.230 0.50 1 87 10 11 GLY N N 106.271 0.25 1 88 11 12 SER H H 9.997 0.03 1 89 11 12 SER HA H 4.320 0.03 1 90 11 12 SER HB2 H 4.096 0.03 2 91 11 12 SER HB3 H 3.584 0.03 2 92 11 12 SER C C 172.659 0.50 1 93 11 12 SER CA C 59.570 0.50 1 94 11 12 SER CB C 63.080 0.50 1 95 11 12 SER N N 119.969 0.25 1 96 12 13 VAL H H 8.303 0.03 1 97 12 13 VAL HA H 3.896 0.03 1 98 12 13 VAL HB H 1.980 0.03 1 99 12 13 VAL HG1 H 1.087 0.03 2 100 12 13 VAL HG2 H 0.885 0.03 2 101 12 13 VAL C C 177.037 0.50 1 102 12 13 VAL CA C 64.380 0.50 1 103 12 13 VAL CB C 31.620 0.50 1 104 12 13 VAL CG1 C 22.400 0.50 2 105 12 13 VAL CG2 C 20.180 0.50 2 106 12 13 VAL N N 122.254 0.25 1 107 13 14 GLY H H 10.589 0.03 1 108 13 14 GLY HA2 H 4.112 0.03 2 109 13 14 GLY HA3 H 3.940 0.03 2 110 13 14 GLY C C 174.696 0.50 1 111 13 14 GLY CA C 45.400 0.50 1 112 13 14 GLY N N 116.335 0.25 1 113 15 16 GLY H H 8.416 0.03 1 114 15 16 GLY HA2 H 4.572 0.03 2 115 15 16 GLY HA3 H 4.250 0.03 2 116 15 16 GLY C C 173.844 0.50 1 117 15 16 GLY CA C 45.740 0.50 1 118 15 16 GLY N N 108.432 0.25 1 119 16 17 LYS H H 10.381 0.03 1 120 16 17 LYS HA H 3.473 0.03 1 121 16 17 LYS C C 179.567 0.50 1 122 16 17 LYS CA C 61.000 0.50 1 123 16 17 LYS CB C 29.370 0.50 1 124 16 17 LYS N N 125.252 0.25 1 125 17 18 SER H H 9.186 0.03 1 126 17 18 SER HA H 4.076 0.03 1 127 17 18 SER C C 175.402 0.50 1 128 17 18 SER CA C 61.020 0.50 1 129 17 18 SER N N 120.736 0.25 1 130 18 19 ALA H H 9.428 0.03 1 131 18 19 ALA HA H 3.788 0.03 1 132 18 19 ALA HB H 1.285 0.03 1 133 18 19 ALA C C 172.147 0.50 1 134 18 19 ALA CA C 54.120 0.50 1 135 18 19 ALA CB C 18.280 0.50 1 136 18 19 ALA N N 124.986 0.25 1 137 19 20 LEU H H 9.079 0.03 1 138 19 20 LEU HA H 3.824 0.03 1 139 19 20 LEU HB2 H 2.133 0.03 2 140 19 20 LEU HB3 H 1.037 0.03 2 141 19 20 LEU HG H 1.860 0.03 1 142 19 20 LEU HD1 H 0.738 0.03 2 143 19 20 LEU HD2 H 0.540 0.03 2 144 19 20 LEU C C 177.781 0.50 1 145 19 20 LEU CA C 58.670 0.50 1 146 19 20 LEU CB C 42.900 0.50 1 147 19 20 LEU CG C 27.220 0.50 1 148 19 20 LEU CD1 C 23.290 0.50 2 149 19 20 LEU CD2 C 25.450 0.50 2 150 19 20 LEU N N 120.668 0.25 1 151 20 21 THR H H 7.758 0.03 1 152 20 21 THR CA C 58.850 0.50 1 153 20 21 THR CB C 67.870 0.50 1 154 20 21 THR N N 117.020 0.25 1 155 22 23 GLN HA H 4.193 0.03 1 156 22 23 GLN C C 175.692 0.50 1 157 23 24 PHE H H 8.151 0.03 1 158 23 24 PHE HA H 4.040 0.03 1 159 23 24 PHE HB2 H 2.992 0.03 2 160 23 24 PHE HB3 H 2.702 0.03 2 161 23 24 PHE C C 176.958 0.50 1 162 23 24 PHE CA C 60.980 0.50 1 163 23 24 PHE CB C 39.200 0.50 1 164 23 24 PHE N N 119.140 0.25 1 165 24 25 VAL H H 8.587 0.03 1 166 24 25 VAL HA H 3.085 0.03 1 167 24 25 VAL HB H 1.685 0.03 1 168 24 25 VAL HG1 H 0.860 0.03 2 169 24 25 VAL HG2 H 0.730 0.03 2 170 24 25 VAL C C 176.846 0.50 1 171 24 25 VAL CA C 66.180 0.50 1 172 24 25 VAL CB C 32.180 0.50 1 173 24 25 VAL CG1 C 21.720 0.50 2 174 24 25 VAL CG2 C 22.600 0.50 2 175 24 25 VAL N N 114.714 0.25 1 176 25 26 GLN H H 8.741 0.03 1 177 25 26 GLN HA H 4.374 0.03 1 178 25 26 GLN HB2 H 2.239 0.03 2 179 25 26 GLN HB3 H 2.054 0.03 2 180 25 26 GLN HG2 H 2.155 0.03 2 181 25 26 GLN HG3 H 1.833 0.03 2 182 25 26 GLN C C 177.011 0.50 1 183 25 26 GLN CA C 55.620 0.50 1 184 25 26 GLN CB C 30.730 0.50 1 185 25 26 GLN CG C 33.710 0.50 1 186 25 26 GLN N N 116.480 0.25 1 187 26 27 GLY H H 7.816 0.03 1 188 26 27 GLY HA2 H 4.316 0.03 2 189 26 27 GLY HA3 H 3.770 0.03 2 190 26 27 GLY C C 174.080 0.50 1 191 26 27 GLY CA C 46.750 0.50 1 192 26 27 GLY N N 109.403 0.25 1 193 27 28 ILE H H 6.416 0.03 1 194 27 28 ILE HA H 4.464 0.03 1 195 27 28 ILE HB H 1.489 0.03 1 196 27 28 ILE HG12 H 1.048 0.03 2 197 27 28 ILE HG2 H 0.676 0.03 1 198 27 28 ILE HD1 H 0.601 0.03 1 199 27 28 ILE C C 173.641 0.50 1 200 27 28 ILE CA C 58.480 0.50 1 201 27 28 ILE CB C 42.040 0.50 1 202 27 28 ILE CG1 C 25.720 0.50 1 203 27 28 ILE CG2 C 17.390 0.50 1 204 27 28 ILE CD1 C 13.250 0.50 1 205 27 28 ILE N N 111.467 0.25 1 206 28 29 PHE H H 8.343 0.03 1 207 28 29 PHE HA H 5.031 0.03 1 208 28 29 PHE HB2 H 2.828 0.03 2 209 28 29 PHE HB3 H 2.728 0.03 2 210 28 29 PHE C C 174.695 0.50 1 211 28 29 PHE CA C 55.130 0.50 1 212 28 29 PHE CB C 39.670 0.50 1 213 28 29 PHE N N 122.199 0.25 1 214 29 30 VAL H H 7.933 0.03 1 215 29 30 VAL HA H 3.932 0.03 1 216 29 30 VAL HB H 1.730 0.03 1 217 29 30 VAL HG1 H 0.681 0.03 2 218 29 30 VAL HG2 H 0.581 0.03 2 219 29 30 VAL C C 174.197 0.50 1 220 29 30 VAL CA C 59.540 0.50 1 221 29 30 VAL CB C 32.400 0.50 1 222 29 30 VAL CG1 C 22.030 0.50 2 223 29 30 VAL CG2 C 18.420 0.50 2 224 29 30 VAL N N 125.134 0.25 1 225 30 31 GLU H H 7.976 0.03 1 226 30 31 GLU HA H 3.716 0.03 1 227 30 31 GLU HB2 H 1.866 0.03 2 228 30 31 GLU HB3 H 1.690 0.03 2 229 30 31 GLU HG2 H 1.993 0.03 2 230 30 31 GLU C C 176.672 0.50 1 231 30 31 GLU CA C 57.050 0.50 1 232 30 31 GLU CB C 30.450 0.50 1 233 30 31 GLU CG C 36.640 0.50 1 234 30 31 GLU N N 123.418 0.25 1 235 31 32 LYS H H 7.864 0.03 1 236 31 32 LYS HA H 4.329 0.03 1 237 31 32 LYS HB2 H 1.800 0.03 2 238 31 32 LYS HB3 H 1.714 0.03 2 239 31 32 LYS HG2 H 1.307 0.03 2 240 31 32 LYS HG3 H 1.206 0.03 2 241 31 32 LYS HD2 H 1.557 0.03 2 242 31 32 LYS HE2 H 2.864 0.03 2 243 31 32 LYS C C 174.393 0.50 1 244 31 32 LYS CA C 55.080 0.50 1 245 31 32 LYS CB C 32.700 0.50 1 246 31 32 LYS CG C 24.460 0.50 1 247 31 32 LYS CD C 28.900 0.50 1 248 31 32 LYS CE C 41.680 0.50 1 249 31 32 LYS N N 119.900 0.25 1 250 32 33 TYR H H 8.676 0.03 1 251 32 33 TYR HA H 4.148 0.03 1 252 32 33 TYR HB2 H 2.754 0.03 2 253 32 33 TYR HB3 H 2.558 0.03 2 254 32 33 TYR C C 175.848 0.50 1 255 32 33 TYR CA C 58.500 0.50 1 256 32 33 TYR CB C 39.300 0.50 1 257 32 33 TYR N N 126.478 0.25 1 258 33 34 ASP H H 8.092 0.03 1 259 33 34 ASP HA H 4.524 0.03 1 260 33 34 ASP HB2 H 2.491 0.03 2 261 33 34 ASP HB3 H 2.345 0.03 2 262 33 34 ASP CA C 52.600 0.50 1 263 33 34 ASP CB C 41.380 0.50 1 264 33 34 ASP N N 129.955 0.25 1 265 34 35 PRO HA H 4.770 0.03 1 266 34 35 PRO HB2 H 2.574 0.03 2 267 34 35 PRO HG2 H 2.058 0.03 2 268 34 35 PRO HG3 H 1.913 0.03 2 269 34 35 PRO C C 178.314 0.50 1 270 34 35 PRO CA C 63.789 0.50 1 271 34 35 PRO CB C 32.757 0.50 1 272 34 35 PRO CG C 26.690 0.50 1 273 35 36 THR H H 8.911 0.03 1 274 35 36 THR HA H 4.220 0.03 1 275 35 36 THR HB H 4.594 0.03 1 276 35 36 THR HG2 H 0.912 0.03 1 277 35 36 THR C C 174.112 0.50 1 278 35 36 THR CA C 62.070 0.50 1 279 35 36 THR CB C 69.880 0.50 1 280 35 36 THR CG2 C 21.380 0.50 1 281 35 36 THR N N 109.782 0.25 1 282 37 38 GLU H H 8.122 0.03 1 283 37 38 GLU HA H 4.860 0.03 1 284 37 38 GLU HB2 H 1.777 0.03 2 285 37 38 GLU HB3 H 1.582 0.03 2 286 37 38 GLU HG2 H 2.280 0.03 2 287 37 38 GLU C C 174.167 0.50 1 288 37 38 GLU CA C 54.360 0.50 1 289 37 38 GLU CB C 31.930 0.50 1 290 37 38 GLU CG C 36.560 0.50 1 291 37 38 GLU N N 131.686 0.25 1 292 38 39 ASP H H 8.170 0.03 1 293 38 39 ASP HA H 4.698 0.03 1 294 38 39 ASP HB2 H 2.370 0.03 2 295 38 39 ASP HB3 H 2.277 0.03 2 296 38 39 ASP C C 173.362 0.50 1 297 38 39 ASP CA C 52.530 0.50 1 298 38 39 ASP CB C 43.350 0.50 1 299 38 39 ASP N N 124.885 0.25 1 300 39 40 SER H H 8.288 0.03 1 301 39 40 SER HA H 5.437 0.03 1 302 39 40 SER HB2 H 3.425 0.03 2 303 39 40 SER C C 173.282 0.50 1 304 39 40 SER CA C 56.360 0.50 1 305 39 40 SER CB C 65.050 0.50 1 306 39 40 SER N N 113.799 0.25 1 307 40 41 TYR H H 8.943 0.03 1 308 40 41 TYR HA H 4.482 0.03 1 309 40 41 TYR HB2 H 2.791 0.03 2 310 40 41 TYR HB3 H 2.442 0.03 2 311 40 41 TYR C C 174.462 0.50 1 312 40 41 TYR CA C 56.640 0.50 1 313 40 41 TYR CB C 42.470 0.50 1 314 40 41 TYR N N 122.977 0.25 1 315 41 42 ARG H H 8.444 0.03 1 316 41 42 ARG HA H 5.545 0.03 1 317 41 42 ARG HB2 H 1.800 0.03 2 318 41 42 ARG HG2 H 1.523 0.03 2 319 41 42 ARG HG3 H 1.453 0.03 2 320 41 42 ARG HD2 H 3.128 0.03 2 321 41 42 ARG HD3 H 2.987 0.03 2 322 41 42 ARG C C 175.248 0.50 1 323 41 42 ARG CA C 54.520 0.50 1 324 41 42 ARG CB C 33.150 0.50 1 325 41 42 ARG CG C 27.790 0.50 1 326 41 42 ARG CD C 43.210 0.50 1 327 41 42 ARG N N 120.858 0.25 1 328 42 43 LYS H H 8.794 0.03 1 329 42 43 LYS HA H 4.266 0.03 1 330 42 43 LYS HB2 H 1.416 0.03 2 331 42 43 LYS HB3 H 1.368 0.03 2 332 42 43 LYS HG2 H 0.889 0.03 2 333 42 43 LYS HD2 H 1.178 0.03 2 334 42 43 LYS HD3 H 0.795 0.03 2 335 42 43 LYS HE2 H 2.596 0.03 2 336 42 43 LYS HE3 H 2.446 0.03 2 337 42 43 LYS C C 172.997 0.50 1 338 42 43 LYS CA C 55.790 0.50 1 339 42 43 LYS CB C 37.680 0.50 1 340 42 43 LYS CG C 24.520 0.50 1 341 42 43 LYS CD C 29.540 0.50 1 342 42 43 LYS CE C 41.650 0.50 1 343 42 43 LYS N N 123.304 0.25 1 344 43 44 GLN H H 8.678 0.03 1 345 43 44 GLN HA H 5.266 0.03 1 346 43 44 GLN HB2 H 1.904 0.03 2 347 43 44 GLN HB3 H 1.844 0.03 2 348 43 44 GLN HG2 H 2.265 0.03 2 349 43 44 GLN HG3 H 2.151 0.03 2 350 43 44 GLN C C 175.581 0.50 1 351 43 44 GLN CA C 55.370 0.50 1 352 43 44 GLN CB C 29.060 0.50 1 353 43 44 GLN CG C 33.570 0.50 1 354 43 44 GLN N N 130.070 0.25 1 355 44 45 VAL H H 8.931 0.03 1 356 44 45 VAL HA H 4.626 0.03 1 357 44 45 VAL HB H 2.104 0.03 1 358 44 45 VAL HG1 H 0.862 0.03 2 359 44 45 VAL HG2 H 0.706 0.03 2 360 44 45 VAL C C 172.764 0.50 1 361 44 45 VAL CA C 59.160 0.50 1 362 44 45 VAL CB C 35.720 0.50 1 363 44 45 VAL CG1 C 22.450 0.50 2 364 44 45 VAL CG2 C 19.820 0.50 2 365 44 45 VAL N N 120.493 0.25 1 366 45 46 GLU H H 8.201 0.03 1 367 45 46 GLU HA H 4.869 0.03 1 368 45 46 GLU HG2 H 1.753 0.03 2 369 45 46 GLU HG3 H 1.659 0.03 2 370 45 46 GLU C C 175.159 0.50 1 371 45 46 GLU CA C 54.700 0.50 1 372 45 46 GLU CB C 30.990 0.50 1 373 45 46 GLU CG C 36.400 0.50 1 374 45 46 GLU N N 123.049 0.25 1 375 46 47 VAL H H 8.305 0.03 1 376 46 47 VAL HA H 3.716 0.03 1 377 46 47 VAL HB H 1.673 0.03 1 378 46 47 VAL HG1 H 0.479 0.03 2 379 46 47 VAL HG2 H 0.251 0.03 2 380 46 47 VAL C C 175.559 0.50 1 381 46 47 VAL CA C 61.310 0.50 1 382 46 47 VAL CB C 33.530 0.50 1 383 46 47 VAL CG1 C 20.480 0.50 2 384 46 47 VAL CG2 C 20.680 0.50 2 385 46 47 VAL N N 125.311 0.25 1 386 47 48 ASP H H 9.223 0.03 1 387 47 48 ASP HA H 4.049 0.03 1 388 47 48 ASP HB2 H 2.673 0.03 2 389 47 48 ASP HB3 H 2.537 0.03 2 390 47 48 ASP C C 175.048 0.50 1 391 47 48 ASP CA C 55.810 0.50 1 392 47 48 ASP CB C 38.280 0.50 1 393 47 48 ASP N N 129.840 0.25 1 394 48 49 ALA H H 8.543 0.03 1 395 48 49 ALA HA H 3.806 0.03 1 396 48 49 ALA HB H 1.389 0.03 1 397 48 49 ALA C C 175.855 0.50 1 398 48 49 ALA CA C 53.090 0.50 1 399 48 49 ALA CB C 17.070 0.50 1 400 48 49 ALA N N 113.005 0.25 1 401 49 50 GLN H H 7.597 0.03 1 402 49 50 GLN HA H 4.563 0.03 1 403 49 50 GLN HB2 H 1.994 0.03 2 404 49 50 GLN HB3 H 1.798 0.03 2 405 49 50 GLN HG2 H 2.253 0.03 2 406 49 50 GLN C C 173.473 0.50 1 407 49 50 GLN CA C 53.760 0.50 1 408 49 50 GLN CB C 30.640 0.50 1 409 49 50 GLN CG C 33.220 0.50 1 410 49 50 GLN N N 118.040 0.25 1 411 50 51 GLN H H 8.794 0.03 1 412 50 51 GLN HA H 4.428 0.03 1 413 50 51 GLN HB2 H 1.940 0.03 2 414 50 51 GLN HG2 H 2.325 0.03 2 415 50 51 GLN C C 175.834 0.50 1 416 50 51 GLN CA C 55.770 0.50 1 417 50 51 GLN CB C 28.260 0.50 1 418 50 51 GLN CG C 32.810 0.50 1 419 50 51 GLN N N 123.304 0.25 1 420 51 52 CYS H H 9.055 0.03 1 421 51 52 CYS HA H 4.905 0.03 1 422 51 52 CYS HB2 H 2.771 0.03 2 423 51 52 CYS HB3 H 2.545 0.03 2 424 51 52 CYS C C 172.001 0.50 1 425 51 52 CYS CA C 57.550 0.50 1 426 51 52 CYS CB C 31.240 0.50 1 427 51 52 CYS N N 121.646 0.25 1 428 52 53 MET H H 8.927 0.03 1 429 52 53 MET HA H 4.266 0.03 1 430 52 53 MET C C 176.328 0.50 1 431 52 53 MET CA C 53.230 0.50 1 432 52 53 MET CB C 31.230 0.50 1 433 52 53 MET N N 122.258 0.25 1 434 53 54 LEU H H 8.018 0.03 1 435 53 54 LEU CA C 58.680 0.50 1 436 53 54 LEU CB C 42.940 0.50 1 437 53 54 LEU N N 121.889 0.25 1 438 54 55 GLU HA H 4.914 0.03 1 439 54 55 GLU C C 174.264 0.50 1 440 55 56 ILE H H 9.277 0.03 1 441 55 56 ILE HA H 4.392 0.03 1 442 55 56 ILE HB H 1.527 0.03 1 443 55 56 ILE HG12 H 1.231 0.03 2 444 55 56 ILE HG2 H 0.631 0.03 1 445 55 56 ILE HD1 H 0.250 0.03 1 446 55 56 ILE C C 174.269 0.50 1 447 55 56 ILE CA C 60.140 0.50 1 448 55 56 ILE CB C 40.760 0.50 1 449 55 56 ILE CG1 C 28.050 0.50 1 450 55 56 ILE CG2 C 19.800 0.50 1 451 55 56 ILE CD1 C 14.720 0.50 1 452 55 56 ILE N N 126.680 0.25 1 453 56 57 LEU H H 8.710 0.03 1 454 56 57 LEU HA H 4.563 0.03 1 455 56 57 LEU HB2 H 1.688 0.03 2 456 56 57 LEU HB3 H 1.218 0.03 2 457 56 57 LEU HG H 1.036 0.03 1 458 56 57 LEU HD1 H 0.444 0.03 2 459 56 57 LEU HD2 H 0.280 0.03 2 460 56 57 LEU C C 173.287 0.50 1 461 56 57 LEU CA C 54.290 0.50 1 462 56 57 LEU CB C 42.600 0.50 1 463 56 57 LEU CG C 26.950 0.50 1 464 56 57 LEU CD1 C 22.590 0.50 2 465 56 57 LEU CD2 C 25.660 0.50 2 466 56 57 LEU N N 129.162 0.25 1 467 57 58 ASP H H 8.556 0.03 1 468 57 58 ASP HA H 4.653 0.03 1 469 57 58 ASP HB2 H 3.051 0.03 2 470 57 58 ASP HB3 H 2.532 0.03 2 471 57 58 ASP C C 175.366 0.50 1 472 57 58 ASP CA C 52.920 0.50 1 473 57 58 ASP CB C 40.820 0.50 1 474 57 58 ASP N N 129.126 0.25 1 475 58 59 THR H H 6.630 0.03 1 476 58 59 THR HA H 4.256 0.03 1 477 58 59 THR HB H 4.109 0.03 1 478 58 59 THR HG2 H 0.918 0.03 1 479 58 59 THR CA C 61.650 0.50 1 480 58 59 THR CB C 71.690 0.50 1 481 58 59 THR CG2 C 21.380 0.50 1 482 58 59 THR N N 110.068 0.25 1 483 59 60 ALA HA H 4.590 0.03 1 484 59 60 ALA HB H 1.243 0.03 1 485 59 60 ALA C C 177.923 0.50 1 486 59 60 ALA CA C 51.611 0.50 1 487 59 60 ALA CB C 20.987 0.50 1 488 60 61 GLY H H 8.476 0.03 1 489 60 61 GLY HA2 H 4.085 0.03 2 490 60 61 GLY HA3 H 3.951 0.03 2 491 60 61 GLY C C 174.822 0.50 1 492 60 61 GLY CA C 45.410 0.50 1 493 60 61 GLY N N 107.203 0.25 1 494 61 62 THR H H 7.774 0.03 1 495 61 62 THR HA H 4.320 0.03 1 496 61 62 THR HB H 4.402 0.03 1 497 61 62 THR HG2 H 1.198 0.03 1 498 61 62 THR C C 171.935 0.50 1 499 61 62 THR CA C 61.390 0.50 1 500 61 62 THR CB C 69.720 0.50 1 501 61 62 THR CG2 C 21.110 0.50 1 502 61 62 THR N N 111.289 0.25 1 503 62 63 GLU H H 8.758 0.03 1 504 62 63 GLU HA H 4.121 0.03 1 505 62 63 GLU HB2 H 1.983 0.03 2 506 62 63 GLU HB3 H 1.922 0.03 2 507 62 63 GLU HG2 H 2.227 0.03 2 508 62 63 GLU C C 176.973 0.50 1 509 62 63 GLU CA C 58.090 0.50 1 510 62 63 GLU CB C 29.070 0.50 1 511 62 63 GLU CG C 36.080 0.50 1 512 62 63 GLU N N 122.120 0.25 1 513 63 64 GLN H H 8.198 0.03 1 514 63 64 GLN HA H 4.013 0.03 1 515 63 64 GLN HB2 H 1.759 0.03 2 516 63 64 GLN HB3 H 1.685 0.03 2 517 63 64 GLN HG2 H 2.024 0.03 2 518 63 64 GLN HG3 H 1.915 0.03 2 519 63 64 GLN CA C 57.010 0.50 1 520 63 64 GLN CB C 28.620 0.50 1 521 63 64 GLN CG C 33.180 0.50 1 522 63 64 GLN N N 119.123 0.25 1 523 64 65 PHE H H 7.893 0.03 1 524 64 65 PHE HA H 4.617 0.03 1 525 64 65 PHE HB2 H 3.283 0.03 2 526 64 65 PHE HB3 H 2.935 0.03 2 527 64 65 PHE C C 176.784 0.50 1 528 64 65 PHE CA C 58.280 0.50 1 529 64 65 PHE CB C 39.030 0.50 1 530 64 65 PHE N N 118.862 0.25 1 531 65 66 THR H H 7.961 0.03 1 532 65 66 THR HA H 4.004 0.03 1 533 65 66 THR HB H 4.256 0.03 1 534 65 66 THR HG2 H 1.162 0.03 1 535 65 66 THR C C 175.513 0.50 1 536 65 66 THR CA C 63.640 0.50 1 537 65 66 THR CB C 69.660 0.50 1 538 65 66 THR CG2 C 20.880 0.50 1 539 65 66 THR N N 114.683 0.25 1 540 66 67 ALA H H 8.261 0.03 1 541 66 67 ALA HA H 4.067 0.03 1 542 66 67 ALA HB H 1.353 0.03 1 543 66 67 ALA C C 179.547 0.50 1 544 66 67 ALA CA C 54.520 0.50 1 545 66 67 ALA CB C 17.950 0.50 1 546 66 67 ALA N N 123.384 0.25 1 547 67 68 MET H H 7.715 0.03 1 548 67 68 MET HA H 4.266 0.03 1 549 67 68 MET HB2 H 1.959 0.03 2 550 67 68 MET HG2 H 2.571 0.03 2 551 67 68 MET HG3 H 2.482 0.03 2 552 67 68 MET C C 176.779 0.50 1 553 67 68 MET CA C 56.340 0.50 1 554 67 68 MET CB C 31.650 0.50 1 555 67 68 MET CG C 32.190 0.50 1 556 67 68 MET N N 115.920 0.25 1 557 68 69 ARG H H 7.527 0.03 1 558 68 69 ARG HA H 3.283 0.03 1 559 68 69 ARG HB2 H 1.681 0.03 2 560 68 69 ARG HG2 H 1.536 0.03 2 561 68 69 ARG HD2 H 3.060 0.03 2 562 68 69 ARG C C 177.111 0.50 1 563 68 69 ARG CA C 58.590 0.50 1 564 68 69 ARG CB C 29.390 0.50 1 565 68 69 ARG CG C 26.220 0.50 1 566 68 69 ARG CD C 43.190 0.50 1 567 68 69 ARG N N 120.552 0.25 1 568 70 71 LEU H H 7.373 0.03 1 569 70 71 LEU HA H 3.977 0.03 1 570 70 71 LEU HB2 H 1.604 0.03 2 571 70 71 LEU HG H 1.562 0.03 1 572 70 71 LEU HD1 H 0.822 0.03 2 573 70 71 LEU HD2 H 0.765 0.03 2 574 70 71 LEU C C 179.034 0.50 1 575 70 71 LEU CA C 57.930 0.50 1 576 70 71 LEU CB C 41.330 0.50 1 577 70 71 LEU CG C 26.630 0.50 1 578 70 71 LEU CD1 C 24.100 0.50 2 579 70 71 LEU CD2 C 24.100 0.50 2 580 70 71 LEU N N 119.751 0.25 1 581 73 74 LYS H H 8.107 0.03 1 582 73 74 LYS HA H 3.725 0.03 1 583 73 74 LYS HB2 H 1.849 0.03 2 584 73 74 LYS HB3 H 1.796 0.03 2 585 73 74 LYS HG2 H 1.401 0.03 2 586 73 74 LYS HG3 H 1.306 0.03 2 587 73 74 LYS HD2 H 1.587 0.03 2 588 73 74 LYS HD3 H 1.541 0.03 2 589 73 74 LYS HE2 H 2.884 0.03 2 590 73 74 LYS HE3 H 2.804 0.03 2 591 73 74 LYS C C 178.401 0.50 1 592 73 74 LYS CA C 59.710 0.50 1 593 73 74 LYS CB C 32.150 0.50 1 594 73 74 LYS CG C 25.050 0.50 1 595 73 74 LYS CD C 29.030 0.50 1 596 73 74 LYS CE C 41.780 0.50 1 597 73 74 LYS N N 119.135 0.25 1 598 74 75 ASN H H 7.976 0.03 1 599 74 75 ASN HA H 4.482 0.03 1 600 74 75 ASN HB2 H 2.635 0.03 2 601 74 75 ASN C C 176.177 0.50 1 602 74 75 ASN CA C 53.750 0.50 1 603 74 75 ASN CB C 38.870 0.50 1 604 74 75 ASN N N 113.829 0.25 1 605 75 76 GLY H H 7.737 0.03 1 606 75 76 GLY HA2 H 3.518 0.03 2 607 75 76 GLY HA3 H 3.223 0.03 2 608 75 76 GLY C C 172.266 0.50 1 609 75 76 GLY CA C 45.780 0.50 1 610 75 76 GLY N N 107.440 0.25 1 611 76 77 GLN H H 8.912 0.03 1 612 76 77 GLN HA H 4.437 0.03 1 613 76 77 GLN HG2 H 2.468 0.03 2 614 76 77 GLN HG3 H 2.327 0.03 2 615 76 77 GLN C C 175.858 0.50 1 616 76 77 GLN CA C 55.990 0.50 1 617 76 77 GLN CB C 31.650 0.50 1 618 76 77 GLN CG C 35.460 0.50 1 619 76 77 GLN N N 119.663 0.25 1 620 77 78 GLY H H 6.863 0.03 1 621 77 78 GLY HA2 H 4.779 0.03 2 622 77 78 GLY HA3 H 3.031 0.03 2 623 77 78 GLY C C 180.418 0.50 1 624 77 78 GLY CA C 45.240 0.50 1 625 77 78 GLY N N 101.059 0.25 1 626 78 79 PHE H H 7.746 0.03 1 627 78 79 PHE HA H 5.266 0.03 1 628 78 79 PHE HB2 H 2.690 0.03 2 629 78 79 PHE HB3 H 2.596 0.03 2 630 78 79 PHE C C 172.866 0.50 1 631 78 79 PHE CA C 57.210 0.50 1 632 78 79 PHE CB C 43.060 0.50 1 633 78 79 PHE N N 120.460 0.25 1 634 79 80 ALA H H 9.018 0.03 1 635 79 80 ALA HA H 5.076 0.03 1 636 79 80 ALA HB H 0.849 0.03 1 637 79 80 ALA C C 173.778 0.50 1 638 79 80 ALA CA C 49.510 0.50 1 639 79 80 ALA CB C 18.650 0.50 1 640 79 80 ALA N N 126.848 0.25 1 641 80 81 LEU H H 9.097 0.03 1 642 80 81 LEU HA H 4.904 0.03 1 643 80 81 LEU HB2 H 1.965 0.03 2 644 80 81 LEU HB3 H 1.175 0.03 2 645 80 81 LEU HG H 1.720 0.03 1 646 80 81 LEU HD1 H 0.746 0.03 2 647 80 81 LEU HD2 H 0.630 0.03 2 648 80 81 LEU CA C 54.840 0.50 1 649 80 81 LEU CB C 41.900 0.50 1 650 80 81 LEU CG C 28.330 0.50 1 651 80 81 LEU CD1 C 25.530 0.50 2 652 80 81 LEU CD2 C 25.200 0.50 2 653 80 81 LEU N N 128.234 0.25 1 654 81 82 VAL HA H 5.058 0.03 1 655 81 82 VAL HB H 1.850 0.03 1 656 81 82 VAL HG1 H 0.650 0.03 2 657 81 82 VAL HG2 H 0.564 0.03 2 658 81 82 VAL C C 175.064 0.50 1 659 81 82 VAL CA C 60.640 0.50 1 660 81 82 VAL CB C 33.071 0.50 1 661 81 82 VAL CG1 C 20.840 0.50 2 662 81 82 VAL CG2 C 22.510 0.50 2 663 82 83 TYR H H 9.301 0.03 1 664 82 83 TYR HA H 4.905 0.03 1 665 82 83 TYR HB2 H 3.273 0.03 2 666 82 83 TYR HB3 H 2.919 0.03 2 667 82 83 TYR C C 172.485 0.50 1 668 82 83 TYR CA C 55.000 0.50 1 669 82 83 TYR CB C 38.700 0.50 1 670 82 83 TYR N N 123.160 0.25 1 671 83 84 SER H H 8.573 0.03 1 672 83 84 SER HA H 4.896 0.03 1 673 83 84 SER HB2 H 3.769 0.03 2 674 83 84 SER HB3 H 3.543 0.03 2 675 83 84 SER C C 177.281 0.50 1 676 83 84 SER CA C 54.090 0.50 1 677 83 84 SER CB C 64.770 0.50 1 678 83 84 SER N N 111.584 0.25 1 679 84 85 ILE H H 8.473 0.03 1 680 84 85 ILE HA H 4.085 0.03 1 681 84 85 ILE HB H 2.116 0.03 1 682 84 85 ILE HG12 H 0.999 0.03 2 683 84 85 ILE HG2 H 0.829 0.03 1 684 84 85 ILE HD1 H 0.463 0.03 1 685 84 85 ILE C C 176.487 0.50 1 686 84 85 ILE CA C 64.070 0.50 1 687 84 85 ILE CB C 37.710 0.50 1 688 84 85 ILE CG1 C 26.960 0.50 1 689 84 85 ILE CG2 C 17.670 0.50 1 690 84 85 ILE CD1 C 15.310 0.50 1 691 84 85 ILE N N 120.281 0.25 1 692 85 86 THR H H 8.259 0.03 1 693 85 86 THR HA H 4.518 0.03 1 694 85 86 THR HB H 4.571 0.03 1 695 85 86 THR C C 174.037 0.50 1 696 85 86 THR CA C 61.480 0.50 1 697 85 86 THR CB C 68.930 0.50 1 698 85 86 THR N N 112.006 0.25 1 699 86 87 ALA H H 7.542 0.03 1 700 86 87 ALA HA H 4.806 0.03 1 701 86 87 ALA HB H 1.320 0.03 1 702 86 87 ALA C C 175.951 0.50 1 703 86 87 ALA CA C 51.300 0.50 1 704 86 87 ALA CB C 21.100 0.50 1 705 86 87 ALA N N 125.124 0.25 1 706 87 88 GLN H H 8.926 0.03 1 707 87 88 GLN HA H 3.590 0.03 1 708 87 88 GLN HB2 H 1.912 0.03 2 709 87 88 GLN HG2 H 2.326 0.03 2 710 87 88 GLN HG3 H 2.155 0.03 2 711 87 88 GLN C C 177.878 0.50 1 712 87 88 GLN CA C 59.110 0.50 1 713 87 88 GLN CB C 28.250 0.50 1 714 87 88 GLN CG C 36.090 0.50 1 715 87 88 GLN N N 128.734 0.25 1 716 88 89 SER H H 9.232 0.03 1 717 88 89 SER HA H 4.004 0.03 1 718 88 89 SER HB2 H 3.847 0.03 2 719 88 89 SER C C 175.332 0.50 1 720 88 89 SER CA C 62.050 0.50 1 721 88 89 SER CB C 60.900 0.50 1 722 88 89 SER N N 114.811 0.25 1 723 89 90 THR H H 7.054 0.03 1 724 89 90 THR HA H 4.230 0.03 1 725 89 90 THR HB H 4.675 0.03 1 726 89 90 THR C C 175.578 0.50 1 727 89 90 THR CA C 64.280 0.50 1 728 89 90 THR CB C 68.610 0.50 1 729 89 90 THR N N 112.069 0.25 1 730 90 91 PHE H H 7.069 0.03 1 731 90 91 PHE HA H 3.869 0.03 1 732 90 91 PHE HB2 H 3.126 0.03 2 733 90 91 PHE HB3 H 2.457 0.03 2 734 90 91 PHE C C 177.268 0.50 1 735 90 91 PHE CA C 59.920 0.50 1 736 90 91 PHE CB C 39.950 0.50 1 737 90 91 PHE N N 124.554 0.25 1 738 91 92 ASN H H 8.036 0.03 1 739 91 92 ASN HA H 4.202 0.03 1 740 91 92 ASN HB2 H 2.914 0.03 2 741 91 92 ASN C C 177.832 0.50 1 742 91 92 ASN CA C 55.490 0.50 1 743 91 92 ASN CB C 37.340 0.50 1 744 91 92 ASN N N 119.388 0.25 1 745 92 93 ASP H H 7.987 0.03 1 746 92 93 ASP HA H 4.437 0.03 1 747 92 93 ASP HB2 H 2.652 0.03 2 748 92 93 ASP C C 177.168 0.50 1 749 92 93 ASP CA C 56.080 0.50 1 750 92 93 ASP CB C 40.740 0.50 1 751 92 93 ASP N N 118.485 0.25 1 752 93 94 LEU H H 7.193 0.03 1 753 93 94 LEU HA H 4.031 0.03 1 754 93 94 LEU HB2 H 1.908 0.03 2 755 93 94 LEU HB3 H 1.490 0.03 2 756 93 94 LEU HG H 2.210 0.03 1 757 93 94 LEU HD1 H 0.930 0.03 2 758 93 94 LEU HD2 H 0.827 0.03 2 759 93 94 LEU C C 178.426 0.50 1 760 93 94 LEU CA C 57.190 0.50 1 761 93 94 LEU CB C 42.650 0.50 1 762 93 94 LEU CG C 25.380 0.50 1 763 93 94 LEU CD1 C 23.010 0.50 2 764 93 94 LEU CD2 C 28.340 0.50 2 765 93 94 LEU N N 116.475 0.25 1 766 94 95 GLN H H 7.654 0.03 1 767 94 95 GLN HA H 4.031 0.03 1 768 94 95 GLN HB2 H 2.267 0.03 2 769 94 95 GLN HB3 H 2.090 0.03 2 770 94 95 GLN HG2 H 2.364 0.03 2 771 94 95 GLN C C 177.715 0.50 1 772 94 95 GLN CA C 60.090 0.50 1 773 94 95 GLN CB C 27.300 0.50 1 774 94 95 GLN CG C 32.860 0.50 1 775 94 95 GLN N N 118.335 0.25 1 776 95 96 ASP H H 8.236 0.03 1 777 95 96 ASP HA H 4.320 0.03 1 778 95 96 ASP HB2 H 2.562 0.03 2 779 95 96 ASP HB3 H 2.499 0.03 2 780 95 96 ASP C C 178.267 0.50 1 781 95 96 ASP CA C 56.770 0.50 1 782 95 96 ASP CB C 40.870 0.50 1 783 95 96 ASP N N 117.187 0.25 1 784 96 97 LEU H H 6.975 0.03 1 785 96 97 LEU HA H 3.905 0.03 1 786 96 97 LEU HB2 H 1.857 0.03 2 787 96 97 LEU HB3 H 1.258 0.03 2 788 96 97 LEU HG H 1.681 0.03 1 789 96 97 LEU HD1 H 0.858 0.03 2 790 96 97 LEU HD2 H 0.815 0.03 2 791 96 97 LEU C C 177.869 0.50 1 792 96 97 LEU CA C 57.770 0.50 1 793 96 97 LEU CB C 42.060 0.50 1 794 96 97 LEU CG C 27.210 0.50 1 795 96 97 LEU CD1 C 24.970 0.50 2 796 96 97 LEU CD2 C 23.480 0.50 2 797 96 97 LEU N N 119.317 0.25 1 798 97 98 ARG H H 7.709 0.03 1 799 97 98 ARG HA H 3.229 0.03 1 800 97 98 ARG C C 177.145 0.50 1 801 97 98 ARG CA C 60.130 0.50 1 802 97 98 ARG CB C 28.300 0.50 1 803 97 98 ARG N N 118.241 0.25 1 804 98 99 GLU H H 7.583 0.03 1 805 98 99 GLU HA H 3.563 0.03 1 806 98 99 GLU C C 178.828 0.50 1 807 98 99 GLU CA C 59.230 0.50 1 808 98 99 GLU CB C 28.470 0.50 1 809 98 99 GLU N N 115.366 0.25 1 810 99 100 GLN H H 7.628 0.03 1 811 99 100 GLN HA H 3.797 0.03 1 812 99 100 GLN HG2 H 2.357 0.03 2 813 99 100 GLN HG3 H 2.282 0.03 2 814 99 100 GLN C C 177.390 0.50 1 815 99 100 GLN CA C 58.960 0.50 1 816 99 100 GLN CB C 27.620 0.50 1 817 99 100 GLN CG C 32.940 0.50 1 818 99 100 GLN N N 119.141 0.25 1 819 100 101 ILE H H 7.433 0.03 1 820 100 101 ILE HA H 3.175 0.03 1 821 100 101 ILE HB H 1.386 0.03 1 822 100 101 ILE HG12 H 1.561 0.03 2 823 100 101 ILE HG13 H -0.071 0.03 2 824 100 101 ILE HG2 H -0.078 0.03 1 825 100 101 ILE HD1 H 0.228 0.03 1 826 100 101 ILE C C 177.256 0.50 1 827 100 101 ILE CA C 65.530 0.50 1 828 100 101 ILE CB C 38.000 0.50 1 829 100 101 ILE CG1 C 28.170 0.50 1 830 100 101 ILE CG2 C 17.640 0.50 1 831 100 101 ILE CD1 C 15.760 0.50 1 832 100 101 ILE N N 119.103 0.25 1 833 101 102 LEU H H 7.522 0.03 1 834 101 102 LEU HA H 3.725 0.03 1 835 101 102 LEU HB2 H 1.472 0.03 2 836 101 102 LEU HG H 1.630 0.03 1 837 101 102 LEU HD1 H 0.520 0.03 2 838 101 102 LEU HD2 H 0.520 0.03 2 839 101 102 LEU C C 179.994 0.50 1 840 101 102 LEU CA C 57.990 0.50 1 841 101 102 LEU CB C 39.710 0.50 1 842 101 102 LEU CG C 27.000 0.50 1 843 101 102 LEU CD1 C 22.330 0.50 2 844 101 102 LEU CD2 C 23.790 0.50 2 845 101 102 LEU N N 117.500 0.25 1 846 102 103 ARG H H 7.730 0.03 1 847 102 103 ARG HA H 3.959 0.03 1 848 102 103 ARG HB2 H 1.838 0.03 2 849 102 103 ARG HB3 H 1.707 0.03 2 850 102 103 ARG HG2 H 1.542 0.03 2 851 102 103 ARG HG3 H 1.424 0.03 2 852 102 103 ARG HD2 H 3.098 0.03 2 853 102 103 ARG C C 179.126 0.50 1 854 102 103 ARG CA C 58.770 0.50 1 855 102 103 ARG CB C 29.730 0.50 1 856 102 103 ARG CG C 26.740 0.50 1 857 102 103 ARG CD C 42.980 0.50 1 858 102 103 ARG N N 118.807 0.25 1 859 103 104 VAL H H 7.952 0.03 1 860 103 104 VAL HA H 3.635 0.03 1 861 103 104 VAL HB H 1.922 0.03 1 862 103 104 VAL HG1 H 0.938 0.03 2 863 103 104 VAL HG2 H 0.809 0.03 2 864 103 104 VAL C C 177.842 0.50 1 865 103 104 VAL CA C 65.490 0.50 1 866 103 104 VAL CB C 31.710 0.50 1 867 103 104 VAL CG1 C 22.500 0.50 2 868 103 104 VAL CG2 C 21.150 0.50 2 869 103 104 VAL N N 118.480 0.25 1 870 104 105 LYS H H 8.128 0.03 1 871 104 105 LYS HA H 4.013 0.03 1 872 104 105 LYS HB2 H 1.717 0.03 2 873 104 105 LYS HB3 H 1.629 0.03 2 874 104 105 LYS HG2 H 1.409 0.03 2 875 104 105 LYS HG3 H 1.337 0.03 2 876 104 105 LYS HE2 H 3.282 0.03 2 877 104 105 LYS HE3 H 3.111 0.03 2 878 104 105 LYS C C 175.979 0.50 1 879 104 105 LYS CA C 56.210 0.50 1 880 104 105 LYS CB C 31.770 0.50 1 881 104 105 LYS CG C 24.370 0.50 1 882 104 105 LYS CE C 41.590 0.50 1 883 104 105 LYS N N 116.278 0.25 1 884 105 106 ASP H H 7.900 0.03 1 885 105 106 ASP HA H 4.202 0.03 1 886 105 106 ASP HB2 H 3.030 0.03 2 887 105 106 ASP HB3 H 2.189 0.03 2 888 105 106 ASP C C 173.771 0.50 1 889 105 106 ASP CA C 54.590 0.50 1 890 105 106 ASP CB C 39.530 0.50 1 891 105 106 ASP N N 118.870 0.25 1 892 106 107 THR H H 7.408 0.03 1 893 106 107 THR HA H 4.419 0.03 1 894 106 107 THR HB H 4.181 0.03 1 895 106 107 THR C C 175.978 0.50 1 896 106 107 THR CA C 59.600 0.50 1 897 106 107 THR CB C 68.500 0.50 1 898 106 107 THR N N 110.438 0.25 1 899 107 108 ASP H H 7.861 0.03 1 900 107 108 ASP HA H 4.527 0.03 1 901 107 108 ASP HB2 H 2.589 0.03 2 902 107 108 ASP HB3 H 2.464 0.03 2 903 107 108 ASP C C 176.416 0.50 1 904 107 108 ASP CA C 53.650 0.50 1 905 107 108 ASP CB C 40.440 0.50 1 906 107 108 ASP N N 119.392 0.25 1 907 108 109 ASP H H 8.070 0.03 1 908 108 109 ASP HA H 4.626 0.03 1 909 108 109 ASP HB2 H 2.647 0.03 2 910 108 109 ASP HB3 H 2.429 0.03 2 911 108 109 ASP C C 173.846 0.50 1 912 108 109 ASP CA C 53.320 0.50 1 913 108 109 ASP CB C 40.450 0.50 1 914 108 109 ASP N N 122.278 0.25 1 915 109 110 VAL H H 7.390 0.03 1 916 109 110 VAL HA H 4.462 0.03 1 917 109 110 VAL HB H 1.674 0.03 1 918 109 110 VAL HG1 H 0.847 0.03 2 919 109 110 VAL HG2 H 0.678 0.03 2 920 109 110 VAL CA C 58.570 0.50 1 921 109 110 VAL CB C 35.530 0.50 1 922 109 110 VAL CG1 C 20.940 0.50 2 923 109 110 VAL CG2 C 21.860 0.50 2 924 109 110 VAL N N 121.434 0.25 1 925 110 111 PRO HA H 4.473 0.03 1 926 110 111 PRO C C 175.594 0.50 1 927 110 111 PRO CA C 63.960 0.50 1 928 110 111 PRO CB C 31.360 0.50 1 929 111 112 MET H H 8.339 0.03 1 930 111 112 MET HA H 5.689 0.03 1 931 111 112 MET HB2 H 2.150 0.03 2 932 111 112 MET HG2 H 2.624 0.03 2 933 111 112 MET C C 173.715 0.50 1 934 111 112 MET CA C 54.950 0.50 1 935 111 112 MET CB C 36.510 0.50 1 936 111 112 MET CG C 32.080 0.50 1 937 111 112 MET N N 124.393 0.25 1 938 112 113 ILE H H 8.559 0.03 1 939 112 113 ILE HA H 4.671 0.03 1 940 112 113 ILE HB H 1.321 0.03 1 941 112 113 ILE HG12 H 1.225 0.03 2 942 112 113 ILE HG2 H 0.750 0.03 1 943 112 113 ILE HD1 H 0.647 0.03 1 944 112 113 ILE C C 180.393 0.50 1 945 112 113 ILE CA C 59.610 0.50 1 946 112 113 ILE CB C 42.720 0.50 1 947 112 113 ILE CG1 C 28.050 0.50 1 948 112 113 ILE CG2 C 15.670 0.50 1 949 112 113 ILE CD1 C 15.080 0.50 1 950 112 113 ILE N N 121.743 0.25 1 951 113 114 LEU H H 8.757 0.03 1 952 113 114 LEU HA H 5.140 0.03 1 953 113 114 LEU HB2 H 2.216 0.03 2 954 113 114 LEU HB3 H 1.545 0.03 2 955 113 114 LEU HG H 1.864 0.03 1 956 113 114 LEU HD1 H 0.653 0.03 2 957 113 114 LEU HD2 H 1.090 0.03 2 958 113 114 LEU C C 173.759 0.50 1 959 113 114 LEU CA C 53.830 0.50 1 960 113 114 LEU CB C 43.360 0.50 1 961 113 114 LEU CG C 28.060 0.50 1 962 113 114 LEU CD1 C 26.660 0.50 2 963 113 114 LEU CD2 C 24.540 0.50 2 964 113 114 LEU N N 131.950 0.25 1 965 114 115 VAL H H 9.028 0.03 1 966 114 115 VAL HA H 4.716 0.03 1 967 114 115 VAL HB H 1.790 0.03 1 968 114 115 VAL HG1 H 0.540 0.03 2 969 114 115 VAL C C 173.431 0.50 1 970 114 115 VAL CA C 60.130 0.50 1 971 114 115 VAL CB C 34.980 0.50 1 972 114 115 VAL CG1 C 21.490 0.50 2 973 114 115 VAL N N 125.916 0.25 1 974 115 116 GLY H H 8.462 0.03 1 975 115 116 GLY HA2 H 2.606 0.03 2 976 115 116 GLY HA3 H 2.496 0.03 2 977 115 116 GLY CA C 44.750 0.50 1 978 115 116 GLY N N 113.339 0.25 1 979 116 117 ASN H H 8.763 0.03 1 980 116 117 ASN HA H 5.275 0.03 1 981 116 117 ASN HB2 H 2.630 0.03 2 982 116 117 ASN HB3 H 2.108 0.03 2 983 116 117 ASN C C 173.951 0.50 1 984 116 117 ASN CA C 51.540 0.50 1 985 116 117 ASN CB C 41.070 0.50 1 986 116 117 ASN N N 122.388 0.25 1 987 117 118 LYS H H 7.168 0.03 1 988 117 118 LYS HA H 4.013 0.03 1 989 117 118 LYS C C 177.947 0.50 1 990 117 118 LYS CA C 57.270 0.50 1 991 117 118 LYS CB C 28.920 0.50 1 992 117 118 LYS N N 110.349 0.25 1 993 118 119 CYS H H 9.015 0.03 1 994 118 119 CYS HA H 4.193 0.03 1 995 118 119 CYS C C 173.183 0.50 1 996 118 119 CYS CA C 59.850 0.50 1 997 118 119 CYS CB C 26.040 0.50 1 998 118 119 CYS N N 114.821 0.25 1 999 119 120 ASP H H 8.677 0.03 1 1000 119 120 ASP HA H 4.437 0.03 1 1001 119 120 ASP HB2 H 2.563 0.03 2 1002 119 120 ASP HB3 H 2.494 0.03 2 1003 119 120 ASP C C 176.483 0.50 1 1004 119 120 ASP CA C 54.310 0.50 1 1005 119 120 ASP CB C 40.180 0.50 1 1006 119 120 ASP N N 117.415 0.25 1 1007 120 121 LEU H H 7.992 0.03 1 1008 120 121 LEU HA H 4.599 0.03 1 1009 120 121 LEU HB2 H 1.825 0.03 2 1010 120 121 LEU HB3 H 1.198 0.03 2 1011 120 121 LEU HG H 1.391 0.03 1 1012 120 121 LEU HD1 H 0.838 0.03 2 1013 120 121 LEU HD2 H 0.603 0.03 2 1014 120 121 LEU C C 177.160 0.50 1 1015 120 121 LEU CA C 52.590 0.50 1 1016 120 121 LEU CB C 38.430 0.50 1 1017 120 121 LEU CG C 25.390 0.50 1 1018 120 121 LEU CD1 C 26.270 0.50 2 1019 120 121 LEU CD2 C 21.910 0.50 2 1020 120 121 LEU N N 124.346 0.25 1 1021 121 122 GLU H H 6.880 0.03 1 1022 121 122 GLU HA H 3.743 0.03 1 1023 121 122 GLU HB2 H 1.922 0.03 2 1024 121 122 GLU HB3 H 1.848 0.03 2 1025 121 122 GLU HG2 H 2.306 0.03 2 1026 121 122 GLU HG3 H 2.160 0.03 2 1027 121 122 GLU C C 178.802 0.50 1 1028 121 122 GLU CA C 59.230 0.50 1 1029 121 122 GLU CB C 29.510 0.50 1 1030 121 122 GLU CG C 34.730 0.50 1 1031 121 122 GLU N N 119.716 0.25 1 1032 122 123 ASP H H 8.601 0.03 1 1033 122 123 ASP HA H 4.320 0.03 1 1034 122 123 ASP HB2 H 2.569 0.03 2 1035 122 123 ASP C C 176.589 0.50 1 1036 122 123 ASP CA C 56.090 0.50 1 1037 122 123 ASP CB C 39.600 0.50 1 1038 122 123 ASP N N 115.636 0.25 1 1039 123 124 GLU H H 7.509 0.03 1 1040 123 124 GLU HA H 4.293 0.03 1 1041 123 124 GLU HB2 H 2.287 0.03 2 1042 123 124 GLU HG2 H 2.079 0.03 2 1043 123 124 GLU HG3 H 1.996 0.03 2 1044 123 124 GLU C C 175.025 0.50 1 1045 123 124 GLU CA C 54.870 0.50 1 1046 123 124 GLU CB C 30.480 0.50 1 1047 123 124 GLU CG C 36.350 0.50 1 1048 123 124 GLU N N 117.494 0.25 1 1049 124 125 ARG H H 7.108 0.03 1 1050 124 125 ARG HA H 3.283 0.03 1 1051 124 125 ARG HB2 H 1.681 0.03 2 1052 124 125 ARG HD2 H 3.060 0.03 2 1053 124 125 ARG C C 175.188 0.50 1 1054 124 125 ARG CA C 58.620 0.50 1 1055 124 125 ARG CB C 31.420 0.50 1 1056 124 125 ARG CD C 43.190 0.50 1 1057 124 125 ARG N N 120.635 0.25 1 1058 125 126 VAL H H 8.755 0.03 1 1059 125 126 VAL HA H 4.257 0.03 1 1060 125 126 VAL HB H 1.959 0.03 1 1061 125 126 VAL HG1 H 0.912 0.03 2 1062 125 126 VAL HG2 H 0.852 0.03 2 1063 125 126 VAL C C 174.905 0.50 1 1064 125 126 VAL CA C 62.430 0.50 1 1065 125 126 VAL CB C 33.920 0.50 1 1066 125 126 VAL CG1 C 21.380 0.50 2 1067 125 126 VAL CG2 C 20.630 0.50 2 1068 125 126 VAL N N 122.286 0.25 1 1069 126 127 VAL H H 7.786 0.03 1 1070 126 127 VAL HA H 3.815 0.03 1 1071 126 127 VAL HB H 1.907 0.03 1 1072 126 127 VAL HG1 H 0.552 0.03 2 1073 126 127 VAL HG2 H 0.019 0.03 2 1074 126 127 VAL C C 175.603 0.50 1 1075 126 127 VAL CA C 61.230 0.50 1 1076 126 127 VAL CB C 31.850 0.50 1 1077 126 127 VAL CG1 C 19.550 0.50 2 1078 126 127 VAL CG2 C 20.130 0.50 2 1079 126 127 VAL N N 122.765 0.25 1 1080 127 128 GLY H H 8.516 0.03 1 1081 127 128 GLY HA2 H 3.949 0.03 2 1082 127 128 GLY HA3 H 4.104 0.03 2 1083 127 128 GLY C C 173.712 0.50 1 1084 127 128 GLY CA C 45.520 0.50 1 1085 127 128 GLY N N 115.332 0.25 1 1086 128 129 LYS H H 8.976 0.03 1 1087 128 129 LYS HA H 4.085 0.03 1 1088 128 129 LYS HB2 H 1.801 0.03 2 1089 128 129 LYS HB3 H 1.684 0.03 2 1090 128 129 LYS HG2 H 1.466 0.03 2 1091 128 129 LYS HG3 H 1.406 0.03 2 1092 128 129 LYS HD2 H 1.607 0.03 2 1093 128 129 LYS HE2 H 2.882 0.03 2 1094 128 129 LYS HE3 H 2.831 0.03 2 1095 128 129 LYS C C 178.347 0.50 1 1096 128 129 LYS CA C 60.260 0.50 1 1097 128 129 LYS CB C 32.270 0.50 1 1098 128 129 LYS CG C 25.270 0.50 1 1099 128 129 LYS CD C 29.480 0.50 1 1100 128 129 LYS CE C 41.820 0.50 1 1101 128 129 LYS N N 128.267 0.25 1 1102 129 130 GLU H H 8.858 0.03 1 1103 129 130 GLU HA H 3.887 0.03 1 1104 129 130 GLU HB2 H 1.723 0.03 2 1105 129 130 GLU HB3 H 1.655 0.03 2 1106 129 130 GLU HG2 H 2.163 0.03 2 1107 129 130 GLU HG3 H 2.131 0.03 2 1108 129 130 GLU C C 178.268 0.50 1 1109 129 130 GLU CA C 58.690 0.50 1 1110 129 130 GLU CB C 27.940 0.50 1 1111 129 130 GLU CG C 36.020 0.50 1 1112 129 130 GLU N N 116.156 0.25 1 1113 130 131 GLN H H 7.088 0.03 1 1114 130 131 GLN HA H 3.806 0.03 1 1115 130 131 GLN HB2 H 1.770 0.03 2 1116 130 131 GLN HB3 H 1.555 0.03 2 1117 130 131 GLN HG2 H 2.131 0.03 2 1118 130 131 GLN HG3 H 2.019 0.03 2 1119 130 131 GLN C C 179.526 0.50 1 1120 130 131 GLN CA C 59.020 0.50 1 1121 130 131 GLN CB C 27.800 0.50 1 1122 130 131 GLN CG C 34.730 0.50 1 1123 130 131 GLN N N 118.590 0.25 1 1124 131 132 GLY H H 6.987 0.03 1 1125 131 132 GLY HA2 H 3.383 0.03 2 1126 131 132 GLY HA3 H 3.495 0.03 2 1127 131 132 GLY C C 173.624 0.50 1 1128 131 132 GLY CA C 47.280 0.50 1 1129 131 132 GLY N N 107.512 0.25 1 1130 132 133 GLN H H 7.574 0.03 1 1131 132 133 GLN HA H 3.103 0.03 1 1132 132 133 GLN HB2 H 1.850 0.03 2 1133 132 133 GLN HB3 H 1.685 0.03 2 1134 132 133 GLN HG2 H 2.171 0.03 2 1135 132 133 GLN C C 179.003 0.50 1 1136 132 133 GLN CA C 58.170 0.50 1 1137 132 133 GLN CB C 28.300 0.50 1 1138 132 133 GLN CG C 34.230 0.50 1 1139 132 133 GLN N N 119.154 0.25 1 1140 133 134 ASN H H 8.095 0.03 1 1141 133 134 ASN HA H 4.193 0.03 1 1142 133 134 ASN HB2 H 2.704 0.03 2 1143 133 134 ASN HB3 H 2.573 0.03 2 1144 133 134 ASN C C 177.160 0.50 1 1145 133 134 ASN CA C 55.560 0.50 1 1146 133 134 ASN CB C 37.660 0.50 1 1147 133 134 ASN N N 117.316 0.25 1 1148 134 135 LEU H H 7.316 0.03 1 1149 134 135 LEU HA H 3.635 0.03 1 1150 134 135 LEU HB2 H 1.321 0.03 2 1151 134 135 LEU HB3 H 1.018 0.03 2 1152 134 135 LEU HG H -0.283 0.03 1 1153 134 135 LEU HD1 H 0.196 0.03 2 1154 134 135 LEU HD2 H -0.460 0.03 2 1155 134 135 LEU C C 176.444 0.50 1 1156 134 135 LEU CA C 57.260 0.50 1 1157 134 135 LEU CB C 40.820 0.50 1 1158 134 135 LEU CG C 26.120 0.50 1 1159 134 135 LEU CD1 C 22.330 0.50 2 1160 134 135 LEU CD2 C 25.330 0.50 2 1161 134 135 LEU N N 123.921 0.25 1 1162 135 136 ALA H H 7.498 0.03 1 1163 135 136 ALA HA H 3.725 0.03 1 1164 135 136 ALA HB H 1.382 0.03 1 1165 135 136 ALA C C 180.455 0.50 1 1166 135 136 ALA CA C 54.900 0.50 1 1167 135 136 ALA CB C 17.620 0.50 1 1168 135 136 ALA N N 118.876 0.25 1 1169 136 137 ARG H H 7.583 0.03 1 1170 136 137 ARG HA H 3.833 0.03 1 1171 136 137 ARG HB2 H 1.836 0.03 2 1172 136 137 ARG HG2 H 1.704 0.03 2 1173 136 137 ARG HG3 H 1.517 0.03 2 1174 136 137 ARG HD2 H 3.125 0.03 2 1175 136 137 ARG C C 173.857 0.50 1 1176 136 137 ARG CA C 60.310 0.50 1 1177 136 137 ARG CB C 29.570 0.50 1 1178 136 137 ARG CG C 27.130 0.50 1 1179 136 137 ARG CD C 43.160 0.50 1 1180 136 137 ARG N N 116.323 0.25 1 1181 137 138 GLN H H 7.555 0.03 1 1182 137 138 GLN HA H 4.004 0.03 1 1183 137 138 GLN HB2 H 2.183 0.03 2 1184 137 138 GLN HG2 H 2.439 0.03 2 1185 137 138 GLN HG3 H 2.356 0.03 2 1186 137 138 GLN C C 178.264 0.50 1 1187 137 138 GLN CA C 58.300 0.50 1 1188 137 138 GLN CB C 27.720 0.50 1 1189 137 138 GLN CG C 33.740 0.50 1 1190 137 138 GLN N N 119.590 0.25 1 1191 138 139 TRP H H 7.990 0.03 1 1192 138 139 TRP HA H 4.779 0.03 1 1193 138 139 TRP HB2 H 3.265 0.03 2 1194 138 139 TRP C C 174.859 0.50 1 1195 138 139 TRP CA C 53.320 0.50 1 1196 138 139 TRP CB C 27.040 0.50 1 1197 138 139 TRP N N 125.706 0.25 1 1198 139 140 ASN H H 7.860 0.03 1 1199 139 140 ASN HA H 4.266 0.03 1 1200 139 140 ASN HB2 H 3.029 0.03 2 1201 139 140 ASN HB3 H 2.693 0.03 2 1202 139 140 ASN C C 174.498 0.50 1 1203 139 140 ASN CA C 53.610 0.50 1 1204 139 140 ASN CB C 36.460 0.50 1 1205 139 140 ASN N N 114.530 0.25 1 1206 140 141 ASN H H 8.075 0.03 1 1207 140 141 ASN HA H 4.220 0.03 1 1208 140 141 ASN HB2 H 2.901 0.03 2 1209 140 141 ASN HB3 H 2.716 0.03 2 1210 140 141 ASN C C 179.168 0.50 1 1211 140 141 ASN CA C 54.210 0.50 1 1212 140 141 ASN CB C 36.570 0.50 1 1213 140 141 ASN N N 113.813 0.25 1 1214 141 142 CYS H H 7.584 0.03 1 1215 141 142 CYS HA H 4.545 0.03 1 1216 141 142 CYS HB2 H 3.521 0.03 2 1217 141 142 CYS HB3 H 3.068 0.03 2 1218 141 142 CYS C C 173.285 0.50 1 1219 141 142 CYS CA C 58.300 0.50 1 1220 141 142 CYS CB C 27.720 0.50 1 1221 141 142 CYS N N 119.658 0.25 1 1222 142 143 ALA H H 7.973 0.03 1 1223 142 143 ALA HA H 4.275 0.03 1 1224 142 143 ALA HB H 1.387 0.03 1 1225 142 143 ALA C C 176.215 0.50 1 1226 142 143 ALA CA C 53.220 0.50 1 1227 142 143 ALA CB C 19.510 0.50 1 1228 142 143 ALA N N 127.021 0.25 1 1229 143 144 PHE H H 8.018 0.03 1 1230 143 144 PHE HA H 5.941 0.03 1 1231 143 144 PHE HB2 H 2.998 0.03 2 1232 143 144 PHE HB3 H 2.511 0.03 2 1233 143 144 PHE C C 174.159 0.50 1 1234 143 144 PHE CA C 56.050 0.50 1 1235 143 144 PHE CB C 42.690 0.50 1 1236 143 144 PHE N N 121.620 0.25 1 1237 144 145 LEU H H 8.036 0.03 1 1238 144 145 LEU HA H 3.752 0.03 1 1239 144 145 LEU HB2 H 1.383 0.03 2 1240 144 145 LEU HB3 H 1.087 0.03 2 1241 144 145 LEU HG H 1.273 0.03 1 1242 144 145 LEU HD1 H 0.590 0.03 2 1243 144 145 LEU HD2 H 0.446 0.03 2 1244 144 145 LEU C C 173.980 0.50 1 1245 144 145 LEU CA C 53.850 0.50 1 1246 144 145 LEU CB C 45.760 0.50 1 1247 144 145 LEU CG C 25.700 0.50 1 1248 144 145 LEU CD1 C 24.250 0.50 2 1249 144 145 LEU CD2 C 25.470 0.50 2 1250 144 145 LEU N N 126.555 0.25 1 1251 145 146 GLU H H 7.686 0.03 1 1252 145 146 GLU HA H 4.932 0.03 1 1253 145 146 GLU HG2 H 1.885 0.03 2 1254 145 146 GLU C C 175.920 0.50 1 1255 145 146 GLU CA C 54.800 0.50 1 1256 145 146 GLU CB C 31.380 0.50 1 1257 145 146 GLU CG C 36.800 0.50 1 1258 145 146 GLU N N 115.524 0.25 1 1259 146 147 SER H H 8.917 0.03 1 1260 146 147 SER HA H 4.770 0.03 1 1261 146 147 SER HB2 H 3.621 0.03 2 1262 146 147 SER HB3 H 3.045 0.03 2 1263 146 147 SER C C 174.642 0.50 1 1264 146 147 SER CA C 56.900 0.50 1 1265 146 147 SER CB C 69.500 0.50 1 1266 146 147 SER N N 118.181 0.25 1 1267 147 148 SER H H 8.794 0.03 1 1268 147 148 SER HA H 4.950 0.03 1 1269 147 148 SER HB2 H 4.285 0.03 2 1270 147 148 SER HB3 H 3.479 0.03 2 1271 147 148 SER C C 175.743 0.50 1 1272 147 148 SER CA C 57.010 0.50 1 1273 147 148 SER CB C 65.150 0.50 1 1274 147 148 SER N N 111.994 0.25 1 1275 148 149 ALA H H 8.956 0.03 1 1276 148 149 ALA HA H 3.896 0.03 1 1277 148 149 ALA HB H 1.473 0.03 1 1278 148 149 ALA C C 175.866 0.50 1 1279 148 149 ALA CA C 54.680 0.50 1 1280 148 149 ALA CB C 18.580 0.50 1 1281 148 149 ALA N N 132.864 0.25 1 1282 149 150 LYS H H 6.733 0.03 1 1283 149 150 LYS HA H 2.473 0.03 1 1284 149 150 LYS C C 176.890 0.50 1 1285 149 150 LYS CA C 58.180 0.50 1 1286 149 150 LYS CB C 34.200 0.50 1 1287 149 150 LYS N N 115.878 0.25 1 1288 150 151 SER H H 8.084 0.03 1 1289 150 151 SER HA H 4.211 0.03 1 1290 150 151 SER HB2 H 3.801 0.03 2 1291 150 151 SER HB3 H 3.410 0.03 2 1292 150 151 SER C C 172.747 0.50 1 1293 150 151 SER CA C 58.088 0.50 1 1294 150 151 SER CB C 63.450 0.50 1 1295 150 151 SER N N 111.501 0.25 1 1296 151 152 LYS H H 7.150 0.03 1 1297 151 152 LYS HA H 3.365 0.03 1 1298 151 152 LYS HB2 H 1.840 0.03 2 1299 151 152 LYS HG2 H 0.999 0.03 2 1300 151 152 LYS HD2 H 1.504 0.03 2 1301 151 152 LYS HE2 H 2.829 0.03 2 1302 151 152 LYS C C 174.414 0.50 1 1303 151 152 LYS CA C 58.430 0.50 1 1304 151 152 LYS CB C 28.820 0.50 1 1305 151 152 LYS CG C 25.690 0.50 1 1306 151 152 LYS CD C 29.310 0.50 1 1307 151 152 LYS CE C 41.500 0.50 1 1308 151 152 LYS N N 116.509 0.25 1 1309 152 153 ILE H H 7.855 0.03 1 1310 152 153 ILE HA H 3.995 0.03 1 1311 152 153 ILE HB H 1.327 0.03 1 1312 152 153 ILE HG12 H 1.184 0.03 2 1313 152 153 ILE HG13 H 0.836 0.03 2 1314 152 153 ILE HG2 H 0.661 0.03 1 1315 152 153 ILE HD1 H 0.607 0.03 1 1316 152 153 ILE C C 175.493 0.50 1 1317 152 153 ILE CA C 60.480 0.50 1 1318 152 153 ILE CB C 39.330 0.50 1 1319 152 153 ILE CG1 C 26.430 0.50 1 1320 152 153 ILE CG2 C 16.590 0.50 1 1321 152 153 ILE CD1 C 12.620 0.50 1 1322 152 153 ILE N N 120.702 0.25 1 1323 153 154 ASN H H 9.096 0.03 1 1324 153 154 ASN HA H 4.743 0.03 1 1325 153 154 ASN HB2 H 2.923 0.03 2 1326 153 154 ASN HB3 H 2.846 0.03 2 1327 153 154 ASN C C 172.763 0.50 1 1328 153 154 ASN CA C 54.160 0.50 1 1329 153 154 ASN CB C 37.090 0.50 1 1330 153 154 ASN N N 122.140 0.25 1 1331 154 155 VAL H H 7.312 0.03 1 1332 154 155 VAL HA H 3.446 0.03 1 1333 154 155 VAL HB H 1.844 0.03 1 1334 154 155 VAL HG1 H 0.723 0.03 2 1335 154 155 VAL HG2 H 0.962 0.03 2 1336 154 155 VAL C C 176.386 0.50 1 1337 154 155 VAL CA C 66.030 0.50 1 1338 154 155 VAL CB C 31.220 0.50 1 1339 154 155 VAL CG1 C 23.370 0.50 2 1340 154 155 VAL CG2 C 21.590 0.50 2 1341 154 155 VAL N N 115.546 0.25 1 1342 155 156 ASN H H 7.821 0.03 1 1343 155 156 ASN HA H 4.094 0.03 1 1344 155 156 ASN HB2 H 2.387 0.03 2 1345 155 156 ASN HB3 H 2.007 0.03 2 1346 155 156 ASN C C 176.510 0.50 1 1347 155 156 ASN CA C 55.590 0.50 1 1348 155 156 ASN CB C 37.100 0.50 1 1349 155 156 ASN N N 115.059 0.25 1 1350 156 157 GLU H H 8.796 0.03 1 1351 156 157 GLU HA H 3.401 0.03 1 1352 156 157 GLU C C 177.387 0.50 1 1353 156 157 GLU CA C 60.610 0.50 1 1354 156 157 GLU CB C 28.540 0.50 1 1355 156 157 GLU N N 116.946 0.25 1 1356 157 158 ILE H H 6.684 0.03 1 1357 157 158 ILE HA H 2.959 0.03 1 1358 157 158 ILE HB H 0.884 0.03 1 1359 157 158 ILE HG12 H 1.799 0.03 2 1360 157 158 ILE HG13 H 0.402 0.03 2 1361 157 158 ILE HG2 H 0.598 0.03 1 1362 157 158 ILE HD1 H -0.342 0.03 1 1363 157 158 ILE C C 174.640 0.50 1 1364 157 158 ILE CA C 64.940 0.50 1 1365 157 158 ILE CB C 39.280 0.50 1 1366 157 158 ILE CG1 C 27.770 0.50 1 1367 157 158 ILE CG2 C 16.210 0.50 1 1368 157 158 ILE CD1 C 15.210 0.50 1 1369 157 158 ILE N N 117.652 0.25 1 1370 158 159 PHE H H 5.811 0.03 1 1371 158 159 PHE HA H 3.536 0.03 1 1372 158 159 PHE HB2 H 2.243 0.03 2 1373 158 159 PHE HB3 H 1.789 0.03 2 1374 158 159 PHE C C 177.807 0.50 1 1375 158 159 PHE CA C 60.440 0.50 1 1376 158 159 PHE CB C 38.210 0.50 1 1377 158 159 PHE N N 114.436 0.25 1 1378 159 160 TYR H H 8.474 0.03 1 1379 159 160 TYR HA H 4.013 0.03 1 1380 159 160 TYR HB2 H 2.895 0.03 2 1381 159 160 TYR C C 177.946 0.50 1 1382 159 160 TYR CA C 58.400 0.50 1 1383 159 160 TYR CB C 36.090 0.50 1 1384 159 160 TYR N N 117.788 0.25 1 1385 160 161 ASP H H 7.979 0.03 1 1386 160 161 ASP HA H 4.148 0.03 1 1387 160 161 ASP HB2 H 2.580 0.03 2 1388 160 161 ASP HB3 H 2.280 0.03 2 1389 160 161 ASP C C 178.721 0.50 1 1390 160 161 ASP CA C 58.270 0.50 1 1391 160 161 ASP CB C 41.920 0.50 1 1392 160 161 ASP N N 117.521 0.25 1 1393 161 162 LEU H H 6.815 0.03 1 1394 161 162 LEU HA H 3.725 0.03 1 1395 161 162 LEU HB2 H 1.879 0.03 2 1396 161 162 LEU HB3 H 0.925 0.03 2 1397 161 162 LEU HD1 H 0.483 0.03 2 1398 161 162 LEU C C 178.319 0.50 1 1399 161 162 LEU CA C 58.140 0.50 1 1400 161 162 LEU CB C 42.710 0.50 1 1401 161 162 LEU CD1 C 24.850 0.50 2 1402 161 162 LEU N N 115.527 0.25 1 1403 162 163 VAL H H 7.376 0.03 1 1404 162 163 VAL HA H 2.932 0.03 1 1405 162 163 VAL HB H 1.944 0.03 1 1406 162 163 VAL HG1 H 0.409 0.03 2 1407 162 163 VAL HG2 H 0.228 0.03 2 1408 162 163 VAL C C 177.132 0.50 1 1409 162 163 VAL CA C 67.040 0.50 1 1410 162 163 VAL CB C 30.850 0.50 1 1411 162 163 VAL CG1 C 23.260 0.50 2 1412 162 163 VAL CG2 C 20.400 0.50 2 1413 162 163 VAL N N 118.570 0.25 1 1414 163 164 ARG H H 7.774 0.03 1 1415 163 164 ARG HA H 3.761 0.03 1 1416 163 164 ARG C C 179.866 0.50 1 1417 163 164 ARG CA C 60.390 0.50 1 1418 163 164 ARG CB C 28.960 0.50 1 1419 163 164 ARG N N 117.620 0.25 1 1420 164 165 GLN H H 8.296 0.03 1 1421 164 165 GLN HA H 3.887 0.03 1 1422 164 165 GLN C C 179.009 0.50 1 1423 164 165 GLN CA C 59.540 0.50 1 1424 164 165 GLN CB C 31.010 0.50 1 1425 164 165 GLN N N 117.777 0.25 1 1426 165 166 ILE H H 8.159 0.03 1 1427 165 166 ILE HA H 3.581 0.03 1 1428 165 166 ILE HB H 1.850 0.03 1 1429 165 166 ILE HG2 H 0.974 0.03 1 1430 165 166 ILE HD1 H 0.567 0.03 1 1431 165 166 ILE C C 176.885 0.50 1 1432 165 166 ILE CA C 64.840 0.50 1 1433 165 166 ILE CB C 38.100 0.50 1 1434 165 166 ILE CG2 C 17.530 0.50 1 1435 165 166 ILE CD1 C 16.130 0.50 1 1436 165 166 ILE N N 121.353 0.25 1 1437 166 167 ASN H H 7.888 0.03 1 1438 166 167 ASN HA H 4.581 0.03 1 1439 166 167 ASN HB2 H 2.923 0.03 2 1440 166 167 ASN HB3 H 2.754 0.03 2 1441 166 167 ASN C C 174.809 0.50 1 1442 166 167 ASN CA C 53.450 0.50 1 1443 166 167 ASN CB C 37.800 0.50 1 1444 166 167 ASN N N 118.029 0.25 1 1445 167 168 ARG H H 7.247 0.03 1 1446 167 168 ARG CA C 58.980 0.50 1 1447 167 168 ARG CB C 30.500 0.50 1 1448 167 168 ARG N N 124.823 0.25 1 stop_ save_ save_assigned_chemical_shifts_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D_15N/13C-edited NOESY' '3D_15N-edited NOESY' '3D_15N/13C-filtered NOESY' 'Standard triple-resonance experiments' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 $sample_5 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 1 8 MET HA H 4.322 0.03 1 2 1 8 MET HB2 H 1.958 0.03 2 3 1 8 MET HB3 H 2.037 0.03 2 4 1 8 MET HG2 H 2.468 0.03 2 5 1 8 MET HG3 H 2.393 0.03 2 6 1 8 MET CA C 55.489 0.50 1 7 1 8 MET CB C 32.574 0.50 1 8 1 8 MET CG C 31.682 0.50 1 9 2 9 VAL H H 7.974 0.03 1 10 2 9 VAL HA H 3.993 0.03 1 11 2 9 VAL HB H 1.963 0.03 1 12 2 9 VAL HG1 H 0.841 0.03 2 13 2 9 VAL CA C 61.900 0.50 1 14 2 9 VAL CB C 32.520 0.50 1 15 2 9 VAL CG1 C 20.720 0.50 2 16 2 9 VAL N N 121.118 0.25 1 17 3 10 ALA H H 7.962 0.03 1 18 3 10 ALA HA H 4.301 0.03 1 19 3 10 ALA HB H 1.091 0.03 1 20 3 10 ALA CA C 51.600 0.50 1 21 3 10 ALA CB C 20.010 0.50 1 22 3 10 ALA N N 125.064 0.25 1 23 4 11 LEU H H 8.695 0.03 1 24 4 11 LEU HA H 4.686 0.03 1 25 4 11 LEU HB2 H 1.505 0.03 2 26 4 11 LEU HB3 H 1.270 0.03 2 27 4 11 LEU HG H 1.510 0.03 1 28 4 11 LEU HD1 H 0.664 0.03 2 29 4 11 LEU HD2 H 0.707 0.03 2 30 4 11 LEU CA C 53.353 0.50 1 31 4 11 LEU CB C 44.307 0.50 1 32 4 11 LEU CG C 26.640 0.50 1 33 4 11 LEU CD1 C 24.510 0.50 2 34 4 11 LEU CD2 C 24.020 0.50 2 35 4 11 LEU N N 122.194 0.25 1 36 5 12 SER H H 8.649 0.03 1 37 5 12 SER HA H 4.877 0.03 1 38 5 12 SER HB2 H 3.573 0.03 2 39 5 12 SER HB3 H 3.508 0.03 2 40 5 12 SER CA C 56.815 0.50 1 41 5 12 SER CB C 62.724 0.50 1 42 5 12 SER N N 120.239 0.25 1 43 6 13 LEU H H 8.907 0.03 1 44 6 13 LEU HA H 4.941 0.03 1 45 6 13 LEU HB2 H 1.595 0.03 2 46 6 13 LEU HB3 H 1.284 0.03 2 47 6 13 LEU HG H 0.843 0.03 1 48 6 13 LEU HD1 H 0.653 0.03 2 49 6 13 LEU HD2 H 1.567 0.03 2 50 6 13 LEU CA C 52.730 0.50 1 51 6 13 LEU CB C 45.830 0.50 1 52 6 13 LEU CG C 24.644 0.50 1 53 6 13 LEU CD1 C 26.230 0.50 2 54 6 13 LEU CD2 C 26.460 0.50 2 55 6 13 LEU N N 126.244 0.25 1 56 7 14 LYS H H 8.626 0.03 1 57 7 14 LYS HA H 4.470 0.03 1 58 7 14 LYS HB2 H 1.817 0.03 2 59 7 14 LYS HB3 H 1.331 0.03 2 60 7 14 LYS HG2 H 1.199 0.03 2 61 7 14 LYS HG3 H 1.144 0.03 2 62 7 14 LYS HD2 H 1.418 0.03 2 63 7 14 LYS HE2 H 2.759 0.03 2 64 7 14 LYS CA C 55.399 0.50 1 65 7 14 LYS CB C 32.618 0.50 1 66 7 14 LYS CG C 25.172 0.50 1 67 7 14 LYS CD C 28.983 0.50 1 68 7 14 LYS CE C 42.140 0.50 1 69 7 14 LYS N N 120.983 0.25 1 70 8 15 ILE H H 8.976 0.03 1 71 8 15 ILE HA H 4.911 0.03 1 72 8 15 ILE HB H 2.078 0.03 1 73 8 15 ILE HG12 H 1.637 0.03 2 74 8 15 ILE HG13 H 1.408 0.03 2 75 8 15 ILE HG2 H 0.736 0.03 1 76 8 15 ILE HD1 H 0.711 0.03 1 77 8 15 ILE CA C 57.177 0.50 1 78 8 15 ILE CB C 36.791 0.50 1 79 8 15 ILE CG1 C 26.820 0.50 1 80 8 15 ILE CG2 C 17.105 0.50 1 81 8 15 ILE CD1 C 10.918 0.50 1 82 8 15 ILE N N 124.223 0.25 1 83 9 16 SER HA H 5.295 0.03 1 84 9 16 SER HB2 H 3.655 0.03 2 85 9 16 SER HB3 H 3.557 0.03 2 86 9 16 SER CA C 55.868 0.50 1 87 9 16 SER CB C 64.218 0.50 1 88 10 17 ILE H H 8.922 0.03 1 89 10 17 ILE HA H 4.622 0.03 1 90 10 17 ILE HB H 1.805 0.03 1 91 10 17 ILE HG12 H 1.545 0.03 2 92 10 17 ILE HG13 H 1.076 0.03 2 93 10 17 ILE HG2 H 0.852 0.03 1 94 10 17 ILE HD1 H 0.638 0.03 1 95 10 17 ILE CA C 60.037 0.50 1 96 10 17 ILE CB C 39.264 0.50 1 97 10 17 ILE CG1 C 27.748 0.50 1 98 10 17 ILE CG2 C 18.170 0.50 1 99 10 17 ILE CD1 C 15.110 0.50 1 100 10 17 ILE N N 127.201 0.25 1 101 11 18 GLY H H 9.059 0.03 1 102 11 18 GLY HA2 H 3.943 0.03 2 103 11 18 GLY HA3 H 3.627 0.03 2 104 11 18 GLY CA C 47.460 0.50 1 105 11 18 GLY N N 117.099 0.25 1 106 12 19 ASN H H 8.760 0.03 1 107 12 19 ASN HA H 4.651 0.03 1 108 12 19 ASN HB2 H 2.898 0.03 2 109 12 19 ASN HB3 H 2.876 0.03 2 110 12 19 ASN HD21 H 7.516 0.03 2 111 12 19 ASN HD22 H 6.800 0.03 2 112 12 19 ASN CA C 53.044 0.50 1 113 12 19 ASN CB C 38.229 0.50 1 114 12 19 ASN N N 124.697 0.25 1 115 12 19 ASN ND2 N 111.834 0.25 1 116 13 20 VAL HA H 4.249 0.03 1 117 13 20 VAL HB H 2.179 0.03 1 118 13 20 VAL HG1 H 0.842 0.03 2 119 13 20 VAL HG2 H 1.094 0.03 2 120 13 20 VAL CA C 61.350 0.50 1 121 13 20 VAL CB C 33.440 0.50 1 122 13 20 VAL CG1 C 20.703 0.50 2 123 13 20 VAL CG2 C 20.620 0.50 2 124 14 21 VAL HA H 4.995 0.03 1 125 14 21 VAL HB H 1.777 0.03 1 126 14 21 VAL HG1 H 0.723 0.03 2 127 14 21 VAL HG2 H 0.647 0.03 2 128 14 21 VAL CA C 60.648 0.50 1 129 14 21 VAL CB C 33.400 0.50 1 130 14 21 VAL CG1 C 20.781 0.50 2 131 14 21 VAL CG2 C 21.380 0.50 2 132 15 22 LYS H H 8.932 0.03 1 133 15 22 LYS HA H 4.680 0.03 1 134 15 22 LYS HB2 H 1.654 0.03 2 135 15 22 LYS HB3 H 1.395 0.03 2 136 15 22 LYS HG2 H 1.403 0.03 2 137 15 22 LYS HG3 H 1.266 0.03 2 138 15 22 LYS HD2 H 1.580 0.03 2 139 15 22 LYS HD3 H 1.670 0.03 2 140 15 22 LYS HE2 H 2.871 0.03 2 141 15 22 LYS HE3 H 2.746 0.03 2 142 15 22 LYS CA C 53.353 0.50 1 143 15 22 LYS CB C 35.713 0.50 1 144 15 22 LYS CG C 24.451 0.50 1 145 15 22 LYS CD C 28.408 0.50 1 146 15 22 LYS CE C 41.822 0.50 1 147 15 22 LYS N N 127.201 0.25 1 148 16 23 THR HA H 4.958 0.03 1 149 16 23 THR HB H 3.859 0.03 1 150 16 23 THR HG2 H 0.895 0.03 1 151 16 23 THR CA C 62.389 0.50 1 152 16 23 THR CB C 68.420 0.50 1 153 16 23 THR CG2 C 21.320 0.50 1 154 17 24 MET H H 9.188 0.03 1 155 17 24 MET HA H 4.374 0.03 1 156 17 24 MET HB2 H 1.432 0.03 2 157 17 24 MET HG2 H 2.141 0.03 2 158 17 24 MET HG3 H 2.076 0.03 2 159 17 24 MET HE H 1.656 0.03 1 160 17 24 MET CA C 54.740 0.50 1 161 17 24 MET CB C 37.405 0.50 1 162 17 24 MET CG C 32.033 0.50 1 163 17 24 MET CE C 16.500 0.50 1 164 17 24 MET N N 127.166 0.25 1 165 18 25 GLN H H 7.870 0.03 1 166 18 25 GLN HA H 5.229 0.03 1 167 18 25 GLN HB2 H 1.638 0.03 2 168 18 25 GLN HB3 H 1.506 0.03 2 169 18 25 GLN HG2 H 2.001 0.03 2 170 18 25 GLN HE21 H 7.193 0.03 2 171 18 25 GLN HE22 H 6.685 0.03 2 172 18 25 GLN CA C 53.962 0.50 1 173 18 25 GLN CB C 30.920 0.50 1 174 18 25 GLN CG C 34.282 0.50 1 175 18 25 GLN N N 118.661 0.25 1 176 18 25 GLN NE2 N 111.298 0.25 1 177 19 26 PHE H H 8.833 0.03 1 178 19 26 PHE HA H 4.809 0.03 1 179 19 26 PHE HB2 H 2.899 0.03 2 180 19 26 PHE HB3 H 2.242 0.03 2 181 19 26 PHE CA C 55.585 0.50 1 182 19 26 PHE CB C 43.687 0.50 1 183 19 26 PHE N N 118.989 0.25 1 184 20 27 GLU H H 9.107 0.03 1 185 20 27 GLU HA H 4.648 0.03 1 186 20 27 GLU HB2 H 2.070 0.03 2 187 20 27 GLU HB3 H 1.850 0.03 2 188 20 27 GLU HG2 H 2.269 0.03 2 189 20 27 GLU CA C 55.108 0.50 1 190 20 27 GLU CB C 28.630 0.50 1 191 20 27 GLU CG C 36.368 0.50 1 192 20 27 GLU N N 123.583 0.25 1 193 21 28 PRO HA H 4.047 0.03 1 194 21 28 PRO HB2 H 2.336 0.03 2 195 21 28 PRO HB3 H 2.084 0.03 2 196 21 28 PRO HG2 H 2.099 0.03 2 197 21 28 PRO HG3 H 1.896 0.03 2 198 21 28 PRO HD2 H 3.869 0.03 2 199 21 28 PRO HD3 H 3.816 0.03 2 200 21 28 PRO CA C 65.730 0.50 1 201 21 28 PRO CB C 31.336 0.50 1 202 21 28 PRO CG C 27.633 0.50 1 203 21 28 PRO CD C 50.764 0.50 1 204 22 29 SER H H 7.363 0.03 1 205 22 29 SER HA H 4.278 0.03 1 206 22 29 SER HB2 H 3.758 0.03 2 207 22 29 SER HB3 H 3.993 0.03 2 208 22 29 SER CA C 57.492 0.50 1 209 22 29 SER CB C 62.876 0.50 1 210 22 29 SER N N 105.689 0.25 1 211 23 30 THR H H 7.687 0.03 1 212 23 30 THR HA H 3.849 0.03 1 213 23 30 THR HB H 3.883 0.03 1 214 23 30 THR HG2 H 1.328 0.03 1 215 23 30 THR CA C 64.213 0.50 1 216 23 30 THR CB C 69.826 0.50 1 217 23 30 THR CG2 C 21.332 0.50 1 218 23 30 THR N N 120.373 0.25 1 219 24 31 MET H H 9.114 0.03 1 220 24 31 MET HA H 4.680 0.03 1 221 24 31 MET HB2 H 1.685 0.03 2 222 24 31 MET HG2 H 2.685 0.03 2 223 24 31 MET HG3 H 2.566 0.03 2 224 24 31 MET HE H 1.982 0.03 1 225 24 31 MET CA C 51.514 0.50 1 226 24 31 MET CB C 31.628 0.50 1 227 24 31 MET CG C 31.877 0.50 1 228 24 31 MET CE C 16.648 0.50 1 229 24 31 MET N N 125.912 0.25 1 230 25 32 VAL H H 9.456 0.03 1 231 25 32 VAL HA H 3.237 0.03 1 232 25 32 VAL HB H 2.694 0.03 1 233 25 32 VAL HG1 H 0.705 0.03 2 234 25 32 VAL HG2 H 0.922 0.03 2 235 25 32 VAL CA C 67.709 0.50 1 236 25 32 VAL CB C 30.536 0.50 1 237 25 32 VAL CG1 C 21.395 0.50 2 238 25 32 VAL CG2 C 24.555 0.50 2 239 25 32 VAL N N 127.640 0.25 1 240 26 33 TYR H H 8.661 0.03 1 241 26 33 TYR HA H 4.333 0.03 1 242 26 33 TYR HB2 H 3.144 0.03 2 243 26 33 TYR HB3 H 2.768 0.03 2 244 26 33 TYR CA C 60.835 0.50 1 245 26 33 TYR CB C 37.883 0.50 1 246 26 33 TYR N N 116.362 0.25 1 247 27 34 ASP H H 6.674 0.03 1 248 27 34 ASP HA H 4.618 0.03 1 249 27 34 ASP HB2 H 2.558 0.03 2 250 27 34 ASP CA C 56.657 0.50 1 251 27 34 ASP CB C 40.852 0.50 1 252 27 34 ASP N N 122.051 0.25 1 253 28 35 ALA H H 8.563 0.03 1 254 28 35 ALA HA H 4.184 0.03 1 255 28 35 ALA HB H 0.962 0.03 1 256 28 35 ALA CA C 55.190 0.50 1 257 28 35 ALA CB C 16.673 0.50 1 258 28 35 ALA N N 124.532 0.25 1 259 29 36 CYS H H 8.221 0.03 1 260 29 36 CYS HA H 3.879 0.03 1 261 29 36 CYS HB2 H 3.156 0.03 2 262 29 36 CYS HB3 H 2.946 0.03 2 263 29 36 CYS CA C 64.476 0.50 1 264 29 36 CYS CB C 26.547 0.50 1 265 29 36 CYS N N 113.527 0.25 1 266 30 37 ARG H H 7.149 0.03 1 267 30 37 ARG HA H 3.793 0.03 1 268 30 37 ARG HB2 H 2.065 0.03 2 269 30 37 ARG HB3 H 1.838 0.03 2 270 30 37 ARG HG2 H 1.623 0.03 2 271 30 37 ARG HG3 H 1.442 0.03 2 272 30 37 ARG HD2 H 3.182 0.03 2 273 30 37 ARG CA C 59.682 0.50 1 274 30 37 ARG CB C 28.911 0.50 1 275 30 37 ARG CG C 26.664 0.50 1 276 30 37 ARG CD C 42.802 0.50 1 277 30 37 ARG N N 120.100 0.25 1 278 31 38 MET H H 8.258 0.03 1 279 31 38 MET HA H 3.814 0.03 1 280 31 38 MET HB2 H 2.329 0.03 2 281 31 38 MET HB3 H 1.990 0.03 2 282 31 38 MET HG2 H 2.722 0.03 2 283 31 38 MET HG3 H 2.522 0.03 2 284 31 38 MET CA C 59.064 0.50 1 285 31 38 MET CB C 33.453 0.50 1 286 31 38 MET CG C 32.186 0.50 1 287 31 38 MET N N 118.406 0.25 1 288 32 39 ILE H H 8.048 0.03 1 289 32 39 ILE HA H 3.171 0.03 1 290 32 39 ILE HB H 1.466 0.03 1 291 32 39 ILE HG12 H 1.943 0.03 2 292 32 39 ILE HG13 H 0.950 0.03 2 293 32 39 ILE HG2 H 0.655 0.03 1 294 32 39 ILE HD1 H 0.055 0.03 1 295 32 39 ILE CA C 65.848 0.50 1 296 32 39 ILE CB C 37.720 0.50 1 297 32 39 ILE CG1 C 30.143 0.50 1 298 32 39 ILE CG2 C 15.679 0.50 1 299 32 39 ILE CD1 C 15.965 0.50 1 300 32 39 ILE N N 120.177 0.25 1 301 33 40 ARG H H 7.522 0.03 1 302 33 40 ARG HA H 3.505 0.03 1 303 33 40 ARG HB2 H 1.724 0.03 2 304 33 40 ARG HG2 H 1.180 0.03 2 305 33 40 ARG HD2 H 3.000 0.03 2 306 33 40 ARG HD3 H 3.237 0.03 2 307 33 40 ARG CA C 59.044 0.50 1 308 33 40 ARG CB C 29.580 0.50 1 309 33 40 ARG CG C 28.587 0.50 1 310 33 40 ARG CD C 43.290 0.50 1 311 33 40 ARG N N 117.296 0.25 1 312 34 41 GLU H H 7.577 0.03 1 313 34 41 GLU HA H 3.921 0.03 1 314 34 41 GLU HB2 H 2.022 0.03 2 315 34 41 GLU HB3 H 1.942 0.03 2 316 34 41 GLU HG2 H 2.391 0.03 2 317 34 41 GLU HG3 H 2.148 0.03 2 318 34 41 GLU CA C 57.490 0.50 1 319 34 41 GLU CB C 29.863 0.50 1 320 34 41 GLU CG C 36.346 0.50 1 321 34 41 GLU N N 115.147 0.25 1 322 35 42 ARG H H 7.480 0.03 1 323 35 42 ARG HA H 4.241 0.03 1 324 35 42 ARG HB2 H 1.883 0.03 2 325 35 42 ARG HB3 H 1.685 0.03 2 326 35 42 ARG HG2 H 1.601 0.03 2 327 35 42 ARG HD2 H 2.975 0.03 2 328 35 42 ARG CA C 55.690 0.50 1 329 35 42 ARG CB C 31.725 0.50 1 330 35 42 ARG CG C 26.872 0.50 1 331 35 42 ARG CD C 42.930 0.50 1 332 35 42 ARG N N 116.443 0.25 1 333 36 43 ILE HA H 4.430 0.03 1 334 36 43 ILE HB H 1.797 0.03 1 335 36 43 ILE HG12 H 1.478 0.03 2 336 36 43 ILE HD1 H 0.591 0.03 1 337 36 43 ILE CA C 58.540 0.50 1 338 36 43 ILE CB C 38.050 0.50 1 339 36 43 ILE CG1 C 26.154 0.50 1 340 36 43 ILE CD1 C 13.491 0.50 1 341 37 44 PRO HA H 4.166 0.03 1 342 37 44 PRO HB2 H 1.734 0.03 2 343 37 44 PRO HB3 H 2.142 0.03 2 344 37 44 PRO HG2 H 2.026 0.03 2 345 37 44 PRO HG3 H 1.906 0.03 2 346 37 44 PRO HD2 H 3.737 0.03 2 347 37 44 PRO CA C 64.721 0.50 1 348 37 44 PRO CB C 31.660 0.50 1 349 37 44 PRO CG C 27.120 0.50 1 350 37 44 PRO CD C 50.472 0.50 1 351 38 45 GLU HA H 3.896 0.03 1 352 38 45 GLU HB2 H 1.919 0.03 2 353 38 45 GLU HB3 H 1.795 0.03 2 354 38 45 GLU HG2 H 2.404 0.03 2 355 38 45 GLU HG3 H 2.234 0.03 2 356 38 45 GLU CA C 59.340 0.50 1 357 38 45 GLU CB C 28.233 0.50 1 358 38 45 GLU CG C 37.159 0.50 1 359 39 46 ALA H H 7.988 0.03 1 360 39 46 ALA HA H 4.018 0.03 1 361 39 46 ALA HB H 1.123 0.03 1 362 39 46 ALA CA C 52.820 0.50 1 363 39 46 ALA CB C 19.190 0.50 1 364 39 46 ALA N N 119.729 0.25 1 365 40 47 LEU H H 7.432 0.03 1 366 40 47 LEU HA H 4.210 0.03 1 367 40 47 LEU HB2 H 1.722 0.03 2 368 40 47 LEU HB3 H 1.508 0.03 2 369 40 47 LEU HG H 1.604 0.03 1 370 40 47 LEU HD1 H 0.760 0.03 2 371 40 47 LEU HD2 H 0.704 0.03 2 372 40 47 LEU CA C 54.267 0.50 1 373 40 47 LEU CB C 40.616 0.50 1 374 40 47 LEU CG C 26.406 0.50 1 375 40 47 LEU CD1 C 24.882 0.50 2 376 40 47 LEU CD2 C 22.928 0.50 2 377 41 48 ALA H H 7.450 0.03 1 378 41 48 ALA HA H 4.146 0.03 1 379 41 48 ALA HB H 1.275 0.03 1 380 41 48 ALA CA C 52.485 0.50 1 381 41 48 ALA CB C 19.105 0.50 1 382 41 48 ALA N N 122.777 0.25 1 383 42 49 GLY H H 7.629 0.03 1 384 42 49 GLY HA2 H 4.202 0.03 2 385 42 49 GLY HA3 H 4.012 0.03 2 386 42 49 GLY CA C 44.150 0.50 1 387 42 49 GLY N N 106.843 0.25 1 388 43 50 PRO HB2 H 2.293 0.03 2 389 43 50 PRO HB3 H 1.920 0.03 2 390 43 50 PRO HG2 H 2.005 0.03 2 391 43 50 PRO HD2 H 3.676 0.03 2 392 43 50 PRO CB C 31.230 0.50 1 393 43 50 PRO CG C 27.317 0.50 1 394 43 50 PRO CD C 49.656 0.50 1 395 44 51 PRO HA H 4.216 0.03 1 396 44 51 PRO HB2 H 1.989 0.03 2 397 44 51 PRO HB3 H 2.124 0.03 2 398 44 51 PRO HG2 H 1.903 0.03 2 399 44 51 PRO HG3 H 2.064 0.03 2 400 44 51 PRO HD2 H 3.792 0.03 2 401 44 51 PRO CA C 65.115 0.50 1 402 44 51 PRO CB C 31.600 0.50 1 403 44 51 PRO CG C 27.163 0.50 1 404 44 51 PRO CD C 50.161 0.50 1 405 45 52 ASN H H 8.524 0.03 1 406 45 52 ASN HA H 4.620 0.03 1 407 45 52 ASN HB2 H 2.733 0.03 2 408 45 52 ASN HD21 H 7.560 0.03 2 409 45 52 ASN HD22 H 6.872 0.03 2 410 45 52 ASN CA C 51.830 0.50 1 411 45 52 ASN CB C 37.438 0.50 1 412 45 52 ASN N N 112.601 0.25 1 413 45 52 ASN ND2 N 113.504 0.25 1 414 46 53 ASP H H 7.845 0.03 1 415 46 53 ASP HA H 4.472 0.03 1 416 46 53 ASP HB2 H 2.561 0.03 2 417 46 53 ASP HB3 H 2.372 0.03 2 418 46 53 ASP CA C 54.535 0.50 1 419 46 53 ASP CB C 40.920 0.50 1 420 46 53 ASP N N 118.125 0.25 1 421 47 54 PHE H H 7.426 0.03 1 422 47 54 PHE HA H 4.813 0.03 1 423 47 54 PHE HB2 H 2.523 0.03 2 424 47 54 PHE HB3 H 1.799 0.03 2 425 47 54 PHE CA C 56.605 0.50 1 426 47 54 PHE CB C 42.738 0.50 1 427 47 54 PHE N N 118.784 0.25 1 428 48 55 GLY H H 8.606 0.03 1 429 48 55 GLY HA2 H 4.449 0.03 2 430 48 55 GLY HA3 H 3.875 0.03 2 431 48 55 GLY CA C 44.450 0.50 1 432 48 55 GLY N N 107.063 0.25 1 433 49 56 LEU H H 8.979 0.03 1 434 49 56 LEU HA H 5.377 0.03 1 435 49 56 LEU HB2 H 1.460 0.03 2 436 49 56 LEU HB3 H 1.277 0.03 2 437 49 56 LEU HG H 1.732 0.03 1 438 49 56 LEU HD1 H 0.705 0.03 2 439 49 56 LEU HD2 H 0.819 0.03 2 440 49 56 LEU CA C 53.390 0.50 1 441 49 56 LEU CB C 44.389 0.50 1 442 49 56 LEU CG C 26.840 0.50 1 443 49 56 LEU CD1 C 24.782 0.50 2 444 49 56 LEU CD2 C 23.005 0.50 2 445 49 56 LEU N N 119.359 0.25 1 446 50 57 PHE H H 9.084 0.03 1 447 50 57 PHE HA H 4.672 0.03 1 448 50 57 PHE HB2 H 2.174 0.03 2 449 50 57 PHE CA C 55.329 0.50 1 450 50 57 PHE CB C 42.913 0.50 1 451 50 57 PHE N N 124.902 0.25 1 452 51 58 LEU H H 8.370 0.03 1 453 51 58 LEU HA H 4.404 0.03 1 454 51 58 LEU HB2 H 1.435 0.03 2 455 51 58 LEU HB3 H 0.958 0.03 2 456 51 58 LEU HG H 1.266 0.03 1 457 51 58 LEU HD1 H 0.730 0.03 2 458 51 58 LEU HD2 H 0.723 0.03 2 459 51 58 LEU CA C 53.220 0.50 1 460 51 58 LEU CB C 43.145 0.50 1 461 51 58 LEU CG C 26.280 0.50 1 462 51 58 LEU CD1 C 23.998 0.50 2 463 51 58 LEU CD2 C 24.771 0.50 2 464 51 58 LEU N N 129.754 0.25 1 465 52 59 SER H H 8.108 0.03 1 466 52 59 SER HA H 3.991 0.03 1 467 52 59 SER HB2 H 3.654 0.03 2 468 52 59 SER HB3 H 3.551 0.03 2 469 52 59 SER CA C 57.707 0.50 1 470 52 59 SER CB C 64.136 0.50 1 471 52 59 SER N N 120.281 0.25 1 472 53 60 ASP H H 8.119 0.03 1 473 53 60 ASP HA H 4.564 0.03 1 474 53 60 ASP HB2 H 2.580 0.03 2 475 53 60 ASP HB3 H 2.175 0.03 2 476 53 60 ASP CA C 52.787 0.50 1 477 53 60 ASP CB C 44.717 0.50 1 478 53 60 ASP N N 122.692 0.25 1 479 54 61 ASP H H 8.279 0.03 1 480 54 61 ASP HA H 4.162 0.03 1 481 54 61 ASP HB2 H 2.518 0.03 2 482 54 61 ASP HB3 H 2.440 0.03 2 483 54 61 ASP CA C 56.720 0.50 1 484 54 61 ASP CB C 40.557 0.50 1 485 54 61 ASP N N 122.318 0.25 1 486 55 62 ASP H H 8.847 0.03 1 487 55 62 ASP HA H 4.864 0.03 1 488 55 62 ASP HB2 H 2.431 0.03 2 489 55 62 ASP HB3 H 2.787 0.03 2 490 55 62 ASP CA C 50.186 0.50 1 491 55 62 ASP CB C 41.190 0.50 1 492 55 62 ASP N N 120.215 0.25 1 493 56 63 PRO HA H 4.370 0.03 1 494 56 63 PRO HB2 H 2.328 0.03 2 495 56 63 PRO HB3 H 1.965 0.03 2 496 56 63 PRO HG2 H 1.978 0.03 2 497 56 63 PRO HD2 H 3.935 0.03 2 498 56 63 PRO HD3 H 3.877 0.03 2 499 56 63 PRO CA C 64.094 0.50 1 500 56 63 PRO CB C 31.980 0.50 1 501 56 63 PRO CG C 26.886 0.50 1 502 56 63 PRO CD C 50.902 0.50 1 503 57 64 LYS H H 8.330 0.03 1 504 57 64 LYS HA H 4.175 0.03 1 505 57 64 LYS HB2 H 1.797 0.03 2 506 57 64 LYS HB3 H 1.753 0.03 2 507 57 64 LYS HG2 H 1.375 0.03 2 508 57 64 LYS HD2 H 1.619 0.03 2 509 57 64 LYS HE2 H 2.917 0.03 2 510 57 64 LYS CA C 56.931 0.50 1 511 57 64 LYS CB C 31.712 0.50 1 512 57 64 LYS CG C 24.940 0.50 1 513 57 64 LYS CD C 28.474 0.50 1 514 57 64 LYS CE C 41.474 0.50 1 515 57 64 LYS N N 116.763 0.25 1 516 58 65 LYS H H 7.989 0.03 1 517 58 65 LYS HA H 4.418 0.03 1 518 58 65 LYS HB2 H 1.866 0.03 2 519 58 65 LYS HB3 H 1.680 0.03 2 520 58 65 LYS HG2 H 1.242 0.03 2 521 58 65 LYS HG3 H 1.157 0.03 2 522 58 65 LYS HD2 H 1.584 0.03 2 523 58 65 LYS HE2 H 2.881 0.03 2 524 58 65 LYS CA C 55.236 0.50 1 525 58 65 LYS CB C 33.095 0.50 1 526 58 65 LYS CG C 25.191 0.50 1 527 58 65 LYS CD C 28.701 0.50 1 528 58 65 LYS CE C 41.721 0.50 1 529 58 65 LYS N N 119.243 0.25 1 530 59 66 GLY H H 7.567 0.03 1 531 59 66 GLY HA2 H 3.687 0.03 2 532 59 66 GLY HA3 H 3.671 0.03 2 533 59 66 GLY CA C 45.618 0.50 1 534 59 66 GLY N N 108.432 0.25 1 535 60 67 ILE H H 7.273 0.03 1 536 60 67 ILE HA H 4.400 0.03 1 537 60 67 ILE HB H 1.526 0.03 1 538 60 67 ILE HG12 H 1.282 0.03 2 539 60 67 ILE HG13 H 0.866 0.03 2 540 60 67 ILE HG2 H 0.750 0.03 1 541 60 67 ILE HD1 H 0.805 0.03 1 542 60 67 ILE CA C 59.065 0.50 1 543 60 67 ILE CB C 42.433 0.50 1 544 60 67 ILE CG1 C 25.949 0.50 1 545 60 67 ILE CG2 C 17.501 0.50 1 546 60 67 ILE CD1 C 13.663 0.50 1 547 60 67 ILE N N 117.832 0.25 1 548 61 68 TRP H H 8.517 0.03 1 549 61 68 TRP HA H 4.892 0.03 1 550 61 68 TRP HB2 H 3.086 0.03 2 551 61 68 TRP HB3 H 2.980 0.03 2 552 61 68 TRP HE1 H 10.037 0.03 1 553 61 68 TRP CA C 55.739 0.50 1 554 61 68 TRP CB C 28.892 0.50 1 555 61 68 TRP N N 124.165 0.25 1 556 61 68 TRP NE1 N 129.912 0.25 1 557 62 69 LEU H H 8.649 0.03 1 558 62 69 LEU HA H 3.812 0.03 1 559 62 69 LEU HB2 H 1.371 0.03 2 560 62 69 LEU HB3 H 1.129 0.03 2 561 62 69 LEU HG H 0.587 0.03 1 562 62 69 LEU HD1 H 0.359 0.03 2 563 62 69 LEU HD2 H -0.180 0.03 2 564 62 69 LEU CA C 55.800 0.50 1 565 62 69 LEU CB C 40.597 0.50 1 566 62 69 LEU CG C 27.570 0.50 1 567 62 69 LEU CD1 C 24.919 0.50 2 568 62 69 LEU CD2 C 22.061 0.50 2 569 62 69 LEU N N 124.848 0.25 1 570 63 70 GLU H H 8.425 0.03 1 571 63 70 GLU HA H 4.160 0.03 1 572 63 70 GLU HB2 H 2.010 0.03 2 573 63 70 GLU HB3 H 1.864 0.03 2 574 63 70 GLU HG2 H 2.339 0.03 2 575 63 70 GLU HG3 H 2.225 0.03 2 576 63 70 GLU CA C 56.279 0.50 1 577 63 70 GLU CB C 30.619 0.50 1 578 63 70 GLU CG C 36.656 0.50 1 579 63 70 GLU N N 123.941 0.25 1 580 64 71 ALA H H 8.366 0.03 1 581 64 71 ALA HA H 3.876 0.03 1 582 64 71 ALA HB H 1.481 0.03 1 583 64 71 ALA CA C 54.965 0.50 1 584 64 71 ALA CB C 19.253 0.50 1 585 64 71 ALA N N 123.841 0.25 1 586 65 72 GLY H H 8.170 0.03 1 587 65 72 GLY HA2 H 4.301 0.03 2 588 65 72 GLY HA3 H 3.541 0.03 2 589 65 72 GLY CA C 44.987 0.50 1 590 65 72 GLY N N 130.826 0.25 1 591 66 73 LYS H H 7.435 0.03 1 592 66 73 LYS HA H 4.358 0.03 1 593 66 73 LYS HB2 H 2.038 0.03 2 594 66 73 LYS HB3 H 1.496 0.03 2 595 66 73 LYS HG2 H 0.927 0.03 2 596 66 73 LYS HD2 H 0.826 0.03 2 597 66 73 LYS HD3 H 0.440 0.03 2 598 66 73 LYS HE2 H 2.201 0.03 2 599 66 73 LYS CA C 53.006 0.50 1 600 66 73 LYS CB C 34.935 0.50 1 601 66 73 LYS CG C 24.670 0.50 1 602 66 73 LYS CD C 27.637 0.50 1 603 66 73 LYS CE C 41.966 0.50 1 604 66 73 LYS N N 119.942 0.25 1 605 67 74 ALA H H 8.104 0.03 1 606 67 74 ALA HA H 4.860 0.03 1 607 67 74 ALA HB H 1.344 0.03 1 608 67 74 ALA CA C 50.459 0.50 1 609 67 74 ALA CB C 20.377 0.50 1 610 67 74 ALA N N 121.897 0.25 1 611 68 75 LEU H H 8.328 0.03 1 612 68 75 LEU HA H 3.870 0.03 1 613 68 75 LEU HB2 H 1.912 0.03 2 614 68 75 LEU HB3 H 1.030 0.03 2 615 68 75 LEU HG H 1.607 0.03 1 616 68 75 LEU HD1 H 0.286 0.03 2 617 68 75 LEU HD2 H 0.244 0.03 2 618 68 75 LEU CA C 58.423 0.50 1 619 68 75 LEU CB C 40.710 0.50 1 620 68 75 LEU CG C 25.906 0.50 1 621 68 75 LEU CD1 C 25.818 0.50 2 622 68 75 LEU CD2 C 21.430 0.50 2 623 68 75 LEU N N 118.619 0.25 1 624 69 76 ASP H H 8.046 0.03 1 625 69 76 ASP HA H 4.328 0.03 1 626 69 76 ASP HB2 H 2.729 0.03 2 627 69 76 ASP HB3 H 2.402 0.03 2 628 69 76 ASP CA C 55.317 0.50 1 629 69 76 ASP CB C 39.451 0.50 1 630 69 76 ASP N N 113.427 0.25 1 631 70 77 TYR H H 7.869 0.03 1 632 70 77 TYR HA H 3.892 0.03 1 633 70 77 TYR HB2 H 3.078 0.03 2 634 70 77 TYR HB3 H 2.772 0.03 2 635 70 77 TYR CA C 60.378 0.50 1 636 70 77 TYR CB C 38.464 0.50 1 637 70 77 TYR N N 124.157 0.25 1 638 71 78 TYR H H 7.531 0.03 1 639 71 78 TYR HA H 3.951 0.03 1 640 71 78 TYR HB2 H 3.131 0.03 2 641 71 78 TYR HB3 H 2.669 0.03 2 642 71 78 TYR CA C 58.672 0.50 1 643 71 78 TYR CB C 37.950 0.50 1 644 71 78 TYR N N 113.786 0.25 1 645 72 79 MET H H 7.767 0.03 1 646 72 79 MET HA H 4.036 0.03 1 647 72 79 MET HB2 H 2.052 0.03 2 648 72 79 MET HB3 H 2.012 0.03 2 649 72 79 MET HG2 H 2.292 0.03 2 650 72 79 MET HG3 H 2.231 0.03 2 651 72 79 MET HE H 2.046 0.03 1 652 72 79 MET CA C 55.418 0.50 1 653 72 79 MET CB C 28.372 0.50 1 654 72 79 MET CG C 31.767 0.50 1 655 72 79 MET CE C 17.191 0.50 1 656 72 79 MET N N 114.044 0.25 1 657 73 80 LEU H H 6.744 0.03 1 658 73 80 LEU HA H 4.189 0.03 1 659 73 80 LEU HB2 H 1.466 0.03 2 660 73 80 LEU HB3 H 1.282 0.03 2 661 73 80 LEU HG H 1.506 0.03 1 662 73 80 LEU HD1 H 0.777 0.03 2 663 73 80 LEU HD2 H 0.815 0.03 2 664 73 80 LEU CA C 54.411 0.50 1 665 73 80 LEU CB C 43.220 0.50 1 666 73 80 LEU CG C 26.990 0.50 1 667 73 80 LEU CD1 C 27.059 0.50 2 668 73 80 LEU CD2 C 23.180 0.50 2 669 73 80 LEU N N 117.816 0.25 1 670 74 81 ARG H H 8.870 0.03 1 671 74 81 ARG HA H 4.403 0.03 1 672 74 81 ARG HB2 H 1.669 0.03 2 673 74 81 ARG HB3 H 1.582 0.03 2 674 74 81 ARG HG2 H 1.564 0.03 2 675 74 81 ARG HG3 H 1.524 0.03 2 676 74 81 ARG HD2 H 3.132 0.03 2 677 74 81 ARG HD3 H 3.066 0.03 2 678 74 81 ARG CA C 53.225 0.50 1 679 74 81 ARG CB C 32.953 0.50 1 680 74 81 ARG CG C 26.460 0.50 1 681 74 81 ARG CD C 43.083 0.50 1 682 74 81 ARG N N 120.728 0.25 1 683 75 82 ASN H H 8.343 0.03 1 684 75 82 ASN HA H 4.725 0.03 1 685 75 82 ASN HB2 H 2.667 0.03 2 686 75 82 ASN HB3 H 2.590 0.03 2 687 75 82 ASN HD21 H 7.526 0.03 2 688 75 82 ASN HD22 H 7.064 0.03 2 689 75 82 ASN CA C 54.198 0.50 1 690 75 82 ASN CB C 37.923 0.50 1 691 75 82 ASN N N 117.346 0.25 1 692 75 82 ASN ND2 N 112.891 0.25 1 693 76 83 GLY H H 9.264 0.03 1 694 76 83 GLY HA2 H 4.215 0.03 2 695 76 83 GLY HA3 H 3.484 0.03 2 696 76 83 GLY CA C 44.544 0.50 1 697 76 83 GLY N N 112.216 0.25 1 698 77 84 ASP H H 8.031 0.03 1 699 77 84 ASP HA H 4.538 0.03 1 700 77 84 ASP HB2 H 2.642 0.03 2 701 77 84 ASP HB3 H 2.434 0.03 2 702 77 84 ASP CA C 55.469 0.50 1 703 77 84 ASP CB C 40.480 0.50 1 704 77 84 ASP N N 121.943 0.25 1 705 78 85 THR H H 8.093 0.03 1 706 78 85 THR HA H 5.335 0.03 1 707 78 85 THR HB H 3.840 0.03 1 708 78 85 THR HG2 H 0.982 0.03 1 709 78 85 THR CA C 60.946 0.50 1 710 78 85 THR CB C 70.358 0.50 1 711 78 85 THR CG2 C 20.697 0.50 1 712 78 85 THR N N 113.940 0.25 1 713 79 86 MET H H 8.987 0.03 1 714 79 86 MET HA H 4.866 0.03 1 715 79 86 MET HB2 H 1.752 0.03 2 716 79 86 MET HB3 H 1.693 0.03 2 717 79 86 MET HG2 H 2.116 0.03 2 718 79 86 MET HE H 1.453 0.03 1 719 79 86 MET CA C 53.656 0.50 1 720 79 86 MET CB C 36.960 0.50 1 721 79 86 MET CG C 31.157 0.50 1 722 79 86 MET CE C 17.505 0.50 1 723 79 86 MET N N 122.892 0.25 1 724 80 87 GLU H H 9.116 0.03 1 725 80 87 GLU HA H 5.116 0.03 1 726 80 87 GLU HB2 H 1.962 0.03 2 727 80 87 GLU HG2 H 2.024 0.03 2 728 80 87 GLU HG3 H 2.359 0.03 2 729 80 87 GLU CA C 54.217 0.50 1 730 80 87 GLU CB C 32.043 0.50 1 731 80 87 GLU CG C 35.772 0.50 1 732 80 87 GLU N N 121.473 0.25 1 733 81 88 TYR H H 8.540 0.03 1 734 81 88 TYR HA H 5.372 0.03 1 735 81 88 TYR HB2 H 3.065 0.03 2 736 81 88 TYR HB3 H 2.411 0.03 2 737 81 88 TYR CA C 57.070 0.50 1 738 81 88 TYR CB C 38.600 0.50 1 739 81 88 TYR N N 127.278 0.25 1 740 82 89 ARG H H 8.639 0.03 1 741 82 89 ARG HA H 4.649 0.03 1 742 82 89 ARG HB2 H 1.694 0.03 2 743 82 89 ARG HB3 H 1.456 0.03 2 744 82 89 ARG HG2 H 1.439 0.03 2 745 82 89 ARG HG3 H 1.389 0.03 2 746 82 89 ARG HD2 H 2.388 0.03 2 747 82 89 ARG HD3 H 2.234 0.03 2 748 82 89 ARG CA C 54.497 0.50 1 749 82 89 ARG CB C 34.187 0.50 1 750 82 89 ARG CG C 25.904 0.50 1 751 82 89 ARG CD C 43.170 0.50 1 752 82 89 ARG N N 125.639 0.25 1 753 83 90 LYS H H 8.279 0.03 1 754 83 90 LYS HA H 3.394 0.03 1 755 83 90 LYS HB2 H 1.334 0.03 2 756 83 90 LYS HB3 H 1.148 0.03 2 757 83 90 LYS HG2 H 0.738 0.03 2 758 83 90 LYS HD2 H 0.956 0.03 2 759 83 90 LYS HE2 H 2.780 0.03 2 760 83 90 LYS CA C 56.329 0.50 1 761 83 90 LYS CB C 32.323 0.50 1 762 83 90 LYS CG C 24.827 0.50 1 763 83 90 LYS CD C 24.634 0.50 1 764 83 90 LYS CE C 41.843 0.50 1 765 83 90 LYS N N 124.038 0.25 1 766 84 91 LYS H H 8.136 0.03 1 767 84 91 LYS HA H 3.572 0.03 1 768 84 91 LYS HB2 H 1.111 0.03 2 769 84 91 LYS HB3 H 0.934 0.03 2 770 84 91 LYS HG2 H 0.476 0.03 2 771 84 91 LYS HG3 H 0.299 0.03 2 772 84 91 LYS HD2 H 0.946 0.03 2 773 84 91 LYS HE2 H 2.265 0.03 2 774 84 91 LYS CA C 56.540 0.50 1 775 84 91 LYS CB C 32.460 0.50 1 776 84 91 LYS CG C 24.720 0.50 1 777 84 91 LYS CD C 28.626 0.50 1 778 84 91 LYS CE C 41.374 0.50 1 779 84 91 LYS N N 126.113 0.25 1 780 85 92 GLN H H 7.716 0.03 1 781 85 92 GLN HA H 4.092 0.03 1 782 85 92 GLN HB2 H 1.853 0.03 2 783 85 92 GLN HB3 H 1.724 0.03 2 784 85 92 GLN HG2 H 2.136 0.03 2 785 85 92 GLN HE21 H 7.488 0.03 2 786 85 92 GLN HE22 H 6.718 0.03 2 787 85 92 GLN CA C 55.170 0.50 1 788 85 92 GLN CB C 29.610 0.50 1 789 85 92 GLN CG C 33.500 0.50 1 790 85 92 GLN N N 121.161 0.25 1 791 85 92 GLN NE2 N 112.679 0.25 1 792 86 93 ARG H H 7.881 0.03 1 793 86 93 ARG N N 128.385 0.25 1 stop_ save_ save_assigned_chemical_shifts_3_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D_15N/13C-edited NOESY' '3D_15N-edited NOESY' '3D_15N/13C-filtered NOESY' 'Standard triple-resonance experiments' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 $sample_5 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 1 8 MET HA H 4.353 0.03 1 2 1 8 MET HB2 H 1.813 0.03 2 3 1 8 MET HG2 H 2.229 0.03 2 4 1 8 MET CA C 55.450 0.50 1 5 1 8 MET CB C 33.800 0.50 1 6 1 8 MET CG C 30.790 0.50 1 7 6 13 LEU H H 9.301 0.03 1 8 6 13 LEU HA H 5.049 0.03 1 9 6 13 LEU HB2 H 1.715 0.03 2 10 6 13 LEU HB3 H 0.976 0.03 2 11 6 13 LEU HG H 1.582 0.03 1 12 6 13 LEU HD1 H 0.819 0.03 2 13 6 13 LEU HD2 H 0.573 0.03 2 14 6 13 LEU CA C 51.980 0.50 1 15 6 13 LEU CB C 43.560 0.50 1 16 6 13 LEU CG C 26.100 0.50 1 17 6 13 LEU CD1 C 26.730 0.50 2 18 6 13 LEU CD2 C 22.250 0.50 2 19 6 13 LEU N N 125.254 0.25 1 20 14 21 VAL H H 7.510 0.03 1 21 14 21 VAL HA H 3.833 0.03 1 22 14 21 VAL HB H 1.900 0.03 1 23 14 21 VAL HG1 H 1.025 0.03 2 24 14 21 VAL HG2 H 0.928 0.03 2 25 14 21 VAL CA C 62.760 0.50 1 26 14 21 VAL CB C 31.790 0.50 1 27 14 21 VAL CG1 C 21.680 0.50 2 28 14 21 VAL CG2 C 17.600 0.50 2 29 14 21 VAL N N 113.014 0.25 1 30 36 43 ILE H H 6.778 0.03 1 31 36 43 ILE HA H 3.954 0.03 1 32 36 43 ILE HB H 1.635 0.03 1 33 36 43 ILE HG12 H 1.221 0.03 2 34 36 43 ILE HG13 H 0.919 0.03 2 35 36 43 ILE HG2 H 0.764 0.03 1 36 36 43 ILE HD1 H 0.589 0.03 1 37 36 43 ILE CA C 61.580 0.50 1 38 36 43 ILE CB C 38.150 0.50 1 39 36 43 ILE CG1 C 27.200 0.50 1 40 36 43 ILE CG2 C 17.070 0.50 1 41 36 43 ILE CD1 C 12.450 0.50 1 42 36 43 ILE N N 120.296 0.25 1 43 69 76 ASP H H 8.047 0.03 1 44 69 76 ASP HA H 4.085 0.03 1 45 69 76 ASP HB2 H 2.539 0.03 2 46 69 76 ASP HB3 H 2.437 0.03 2 47 69 76 ASP CA C 57.210 0.50 1 48 69 76 ASP CB C 39.710 0.50 1 49 69 76 ASP N N 118.140 0.25 1 50 71 78 TYR H H 7.793 0.03 1 51 71 78 TYR HA H 4.446 0.03 1 52 71 78 TYR HB2 H 3.105 0.03 2 53 71 78 TYR HB3 H 2.858 0.03 2 54 71 78 TYR CA C 58.920 0.50 1 55 71 78 TYR CB C 36.800 0.50 1 56 71 78 TYR N N 116.770 0.25 1 57 72 79 MET H H 8.268 0.03 1 58 72 79 MET HA H 4.418 0.03 1 59 72 79 MET HB2 H 2.084 0.03 2 60 72 79 MET HG2 H 2.154 0.03 2 61 72 79 MET CA C 59.130 0.50 1 62 72 79 MET CB C 32.020 0.50 1 63 72 79 MET CG C 34.030 0.50 1 64 72 79 MET N N 119.596 0.25 1 stop_ save_ save_assigned_chemical_shifts_3_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D_15N/13C-edited NOESY' '3D_15N-edited NOESY' '3D_15N/13C-filtered NOESY' 'Standard triple-resonance experiments' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 $sample_5 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_2 _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 3 ARG H H 8.540 0.03 1 2 2 3 ARG HA H 4.078 0.03 1 3 2 3 ARG HB2 H 1.660 0.03 2 4 2 3 ARG HB3 H 1.585 0.03 2 5 2 3 ARG HG2 H 1.498 0.03 2 6 2 3 ARG HG3 H 1.219 0.03 2 7 2 3 ARG HD2 H 3.043 0.03 2 8 2 3 ARG HD3 H 3.014 0.03 2 9 2 3 ARG CA C 56.520 0.50 1 10 2 3 ARG CB C 31.170 0.50 1 11 2 3 ARG CG C 26.960 0.50 1 12 2 3 ARG CD C 43.280 0.50 1 13 2 3 ARG N N 126.452 0.25 1 14 3 4 GLU H H 8.050 0.03 1 15 3 4 GLU HA H 5.361 0.03 1 16 3 4 GLU HB2 H 1.799 0.03 2 17 3 4 GLU HB3 H 1.710 0.03 2 18 3 4 GLU HG2 H 2.108 0.03 2 19 3 4 GLU HG3 H 1.881 0.03 2 20 3 4 GLU CA C 54.060 0.50 1 21 3 4 GLU CB C 31.720 0.50 1 22 3 4 GLU CG C 36.520 0.50 1 23 3 4 GLU N N 122.945 0.25 1 24 4 5 TYR H H 8.711 0.03 1 25 4 5 TYR HA H 4.969 0.03 1 26 4 5 TYR HB2 H 2.677 0.03 2 27 4 5 TYR HB3 H 2.363 0.03 2 28 4 5 TYR CA C 56.040 0.50 1 29 4 5 TYR CB C 40.920 0.50 1 30 4 5 TYR N N 122.184 0.25 1 31 5 6 LYS H H 8.704 0.03 1 32 5 6 LYS HA H 4.967 0.03 1 33 5 6 LYS HB2 H 1.714 0.03 2 34 5 6 LYS HB3 H 1.559 0.03 2 35 5 6 LYS HG2 H 1.385 0.03 2 36 5 6 LYS HG3 H 1.283 0.03 2 37 5 6 LYS HD2 H 1.513 0.03 2 38 5 6 LYS HE2 H 2.789 0.03 2 39 5 6 LYS CA C 55.950 0.50 1 40 5 6 LYS CB C 31.990 0.50 1 41 5 6 LYS CG C 25.000 0.50 1 42 5 6 LYS CD C 29.120 0.50 1 43 5 6 LYS CE C 41.700 0.50 1 44 5 6 LYS N N 123.326 0.25 1 45 7 8 VAL H H 7.986 0.03 1 46 7 8 VAL HA H 4.530 0.03 1 47 7 8 VAL HB H 1.878 0.03 1 48 7 8 VAL HG1 H 0.884 0.03 2 49 7 8 VAL HG2 H 0.700 0.03 2 50 7 8 VAL CA C 61.310 0.50 1 51 7 8 VAL CB C 34.840 0.50 1 52 7 8 VAL CG1 C 21.900 0.50 2 53 7 8 VAL CG2 C 21.440 0.50 2 54 7 8 VAL N N 122.204 0.25 1 55 8 9 VAL H H 8.853 0.03 1 56 8 9 VAL HA H 4.607 0.03 1 57 8 9 VAL HB H 2.235 0.03 1 58 8 9 VAL HG1 H 0.842 0.03 2 59 8 9 VAL HG2 H 0.694 0.03 2 60 8 9 VAL CA C 62.090 0.50 1 61 8 9 VAL CB C 32.330 0.50 1 62 8 9 VAL CG1 C 22.190 0.50 2 63 8 9 VAL CG2 C 19.800 0.50 2 64 8 9 VAL N N 128.228 0.25 1 65 9 10 LEU H H 9.421 0.03 1 66 9 10 LEU HA H 4.590 0.03 1 67 9 10 LEU HB2 H 1.779 0.03 2 68 9 10 LEU HB3 H 1.655 0.03 2 69 9 10 LEU HD1 H 1.033 0.03 2 70 9 10 LEU HD2 H 0.919 0.03 2 71 9 10 LEU CA C 53.710 0.50 1 72 9 10 LEU CB C 46.800 0.50 1 73 9 10 LEU CD1 C 24.730 0.50 2 74 9 10 LEU CD2 C 28.460 0.50 2 75 9 10 LEU N N 127.680 0.25 1 76 10 11 GLY H H 7.984 0.03 1 77 10 11 GLY HA2 H 4.889 0.03 2 78 10 11 GLY HA3 H 3.693 0.03 2 79 10 11 GLY CA C 44.230 0.50 1 80 10 11 GLY N N 106.280 0.25 1 81 11 12 SER H H 9.994 0.03 1 82 11 12 SER HA H 4.320 0.03 1 83 11 12 SER HB2 H 4.076 0.03 2 84 11 12 SER HB3 H 3.574 0.03 2 85 11 12 SER CA C 59.310 0.50 1 86 11 12 SER CB C 62.820 0.50 1 87 11 12 SER N N 119.936 0.25 1 88 12 13 VAL H H 8.302 0.03 1 89 12 13 VAL HA H 3.896 0.03 1 90 12 13 VAL HB H 1.955 0.03 1 91 12 13 VAL HG1 H 1.072 0.03 2 92 12 13 VAL HG2 H 0.870 0.03 2 93 12 13 VAL CA C 64.120 0.50 1 94 12 13 VAL CB C 31.620 0.50 1 95 12 13 VAL CG1 C 22.400 0.50 2 96 12 13 VAL CG2 C 20.180 0.50 2 97 12 13 VAL N N 122.306 0.25 1 98 13 14 GLY H H 10.604 0.03 1 99 13 14 GLY HA2 H 4.087 0.03 2 100 13 14 GLY HA3 H 3.945 0.03 2 101 13 14 GLY CA C 45.660 0.50 1 102 13 14 GLY N N 116.328 0.25 1 103 15 16 GLY H H 8.416 0.03 1 104 15 16 GLY HA2 H 4.562 0.03 2 105 15 16 GLY HA3 H 4.230 0.03 2 106 15 16 GLY CA C 45.740 0.50 1 107 15 16 GLY N N 108.447 0.25 1 108 16 17 LYS H H 10.381 0.03 1 109 16 17 LYS HA H 3.473 0.03 1 110 16 17 LYS CA C 60.740 0.50 1 111 16 17 LYS CB C 29.370 0.50 1 112 16 17 LYS N N 125.244 0.25 1 113 17 18 SER H H 9.187 0.03 1 114 17 18 SER HA H 4.051 0.03 1 115 17 18 SER HB2 H 3.475 0.03 2 116 17 18 SER CA C 61.020 0.50 1 117 17 18 SER CB C 61.152 0.50 1 118 17 18 SER N N 120.768 0.25 1 119 18 19 ALA H H 9.437 0.03 1 120 18 19 ALA HA H 3.788 0.03 1 121 18 19 ALA HB H 1.270 0.03 1 122 18 19 ALA CA C 54.120 0.50 1 123 18 19 ALA CB C 18.280 0.50 1 124 18 19 ALA N N 125.001 0.25 1 125 19 20 LEU H H 9.086 0.03 1 126 19 20 LEU HA H 3.814 0.03 1 127 19 20 LEU HB2 H 2.123 0.03 2 128 19 20 LEU HB3 H 1.027 0.03 2 129 19 20 LEU HG H 1.860 0.03 1 130 19 20 LEU HD1 H 0.525 0.03 2 131 19 20 LEU HD2 H 0.713 0.03 2 132 19 20 LEU CA C 58.670 0.50 1 133 19 20 LEU CB C 42.900 0.50 1 134 19 20 LEU CG C 27.220 0.50 1 135 19 20 LEU CD1 C 25.450 0.50 2 136 19 20 LEU CD2 C 23.290 0.50 2 137 19 20 LEU N N 120.667 0.25 1 138 20 21 THR H H 7.756 0.03 1 139 20 21 THR HA H 4.170 0.03 1 140 20 21 THR CA C 58.330 0.50 1 141 20 21 THR CB C 67.870 0.50 1 142 20 21 THR N N 116.866 0.25 1 143 22 23 GLN HA H 4.178 0.03 1 144 22 23 GLN CA C 58.420 0.50 1 145 22 23 GLN CB C 29.071 0.50 1 146 23 24 PHE H H 8.150 0.03 1 147 23 24 PHE HA H 4.045 0.03 1 148 23 24 PHE HB2 H 2.997 0.03 2 149 23 24 PHE HB3 H 2.702 0.03 2 150 23 24 PHE CA C 60.720 0.50 1 151 23 24 PHE CB C 39.460 0.50 1 152 23 24 PHE N N 118.987 0.25 1 153 24 25 VAL H H 8.594 0.03 1 154 24 25 VAL HA H 3.085 0.03 1 155 24 25 VAL HB H 1.705 0.03 1 156 24 25 VAL HG1 H 0.845 0.03 2 157 24 25 VAL HG2 H 0.710 0.03 2 158 24 25 VAL CA C 66.180 0.50 1 159 24 25 VAL CB C 32.440 0.50 1 160 24 25 VAL CG1 C 21.720 0.50 2 161 24 25 VAL CG2 C 22.600 0.50 2 162 24 25 VAL N N 114.719 0.25 1 163 25 26 GLN H H 8.757 0.03 1 164 25 26 GLN HA H 4.369 0.03 1 165 25 26 GLN HB2 H 2.229 0.03 2 166 25 26 GLN HB3 H 2.049 0.03 2 167 25 26 GLN HG2 H 2.145 0.03 2 168 25 26 GLN HG3 H 2.300 0.03 2 169 25 26 GLN CA C 55.620 0.50 1 170 25 26 GLN CB C 30.730 0.50 1 171 25 26 GLN CG C 33.970 0.50 1 172 25 26 GLN N N 116.561 0.25 1 173 26 27 GLY H H 7.812 0.03 1 174 26 27 GLY HA2 H 4.286 0.03 2 175 26 27 GLY HA3 H 3.755 0.03 2 176 26 27 GLY CA C 46.750 0.50 1 177 26 27 GLY N N 109.315 0.25 1 178 27 28 ILE H H 6.416 0.03 1 179 27 28 ILE HA H 4.459 0.03 1 180 27 28 ILE HB H 1.469 0.03 1 181 27 28 ILE HG12 H 1.028 0.03 2 182 27 28 ILE HG2 H 0.656 0.03 1 183 27 28 ILE HD1 H 0.591 0.03 1 184 27 28 ILE CA C 58.220 0.50 1 185 27 28 ILE CB C 42.040 0.50 1 186 27 28 ILE CG1 C 25.720 0.50 1 187 27 28 ILE CG2 C 17.390 0.50 1 188 27 28 ILE CD1 C 13.250 0.50 1 189 27 28 ILE N N 111.477 0.25 1 190 28 29 PHE H H 8.336 0.03 1 191 28 29 PHE HA H 5.026 0.03 1 192 28 29 PHE HB2 H 2.828 0.03 2 193 28 29 PHE HB3 H 2.728 0.03 2 194 28 29 PHE CA C 55.130 0.50 1 195 28 29 PHE CB C 39.670 0.50 1 196 28 29 PHE N N 122.255 0.25 1 197 29 30 VAL H H 7.939 0.03 1 198 29 30 VAL HA H 3.932 0.03 1 199 29 30 VAL HB H 1.710 0.03 1 200 29 30 VAL HG1 H 0.661 0.03 2 201 29 30 VAL HG2 H 0.571 0.03 2 202 29 30 VAL CA C 59.280 0.50 1 203 29 30 VAL CB C 32.660 0.50 1 204 29 30 VAL CG1 C 22.030 0.50 2 205 29 30 VAL CG2 C 18.420 0.50 2 206 29 30 VAL N N 125.153 0.25 1 207 30 31 GLU H H 7.979 0.03 1 208 30 31 GLU HA H 3.706 0.03 1 209 30 31 GLU HB2 H 1.856 0.03 2 210 30 31 GLU HB3 H 1.680 0.03 2 211 30 31 GLU HG2 H 1.978 0.03 2 212 30 31 GLU CA C 57.050 0.50 1 213 30 31 GLU CB C 30.710 0.50 1 214 30 31 GLU CG C 36.640 0.50 1 215 30 31 GLU N N 123.463 0.25 1 216 31 32 LYS H H 7.864 0.03 1 217 31 32 LYS HA H 4.329 0.03 1 218 31 32 LYS HB2 H 1.795 0.03 2 219 31 32 LYS HB3 H 1.709 0.03 2 220 31 32 LYS HG2 H 1.287 0.03 2 221 31 32 LYS HG3 H 1.186 0.03 2 222 31 32 LYS HD2 H 1.532 0.03 2 223 31 32 LYS HE2 H 2.844 0.03 2 224 31 32 LYS CA C 55.080 0.50 1 225 31 32 LYS CB C 32.700 0.50 1 226 31 32 LYS CG C 24.460 0.50 1 227 31 32 LYS CD C 28.900 0.50 1 228 31 32 LYS CE C 41.680 0.50 1 229 31 32 LYS N N 119.896 0.25 1 230 32 33 TYR H H 8.675 0.03 1 231 32 33 TYR HA H 4.163 0.03 1 232 32 33 TYR HB2 H 2.729 0.03 2 233 32 33 TYR HB3 H 2.543 0.03 2 234 32 33 TYR CA C 58.240 0.50 1 235 32 33 TYR CB C 39.300 0.50 1 236 32 33 TYR N N 126.452 0.25 1 237 33 34 ASP H H 8.088 0.03 1 238 33 34 ASP HA H 4.504 0.03 1 239 33 34 ASP HB2 H 2.491 0.03 2 240 33 34 ASP HB3 H 2.330 0.03 2 241 33 34 ASP CA C 52.340 0.50 1 242 33 34 ASP CB C 41.380 0.50 1 243 33 34 ASP N N 129.938 0.25 1 244 34 35 PRO HA H 4.775 0.03 1 245 34 35 PRO HB2 H 2.554 0.03 2 246 34 35 PRO HG2 H 2.038 0.03 2 247 34 35 PRO HG3 H 1.898 0.03 2 248 34 35 PRO HD2 H 3.754 0.03 2 249 34 35 PRO CA C 63.789 0.50 1 250 34 35 PRO CB C 32.757 0.50 1 251 34 35 PRO CG C 26.690 0.50 1 252 34 35 PRO CD C 53.580 0.50 1 253 35 36 THR H H 8.915 0.03 1 254 35 36 THR HA H 4.230 0.03 1 255 35 36 THR HB H 4.594 0.03 1 256 35 36 THR HG2 H 1.145 0.03 1 257 35 36 THR CA C 61.810 0.50 1 258 35 36 THR CB C 69.880 0.50 1 259 35 36 THR CG2 C 20.650 0.50 1 260 35 36 THR N N 109.797 0.25 1 261 37 38 GLU H H 8.123 0.03 1 262 37 38 GLU HA H 4.860 0.03 1 263 37 38 GLU HB2 H 1.792 0.03 2 264 37 38 GLU HB3 H 1.567 0.03 2 265 37 38 GLU HG2 H 2.270 0.03 2 266 37 38 GLU CA C 54.360 0.50 1 267 37 38 GLU CB C 31.930 0.50 1 268 37 38 GLU CG C 36.560 0.50 1 269 37 38 GLU N N 131.724 0.25 1 270 38 39 ASP H H 8.170 0.03 1 271 38 39 ASP HA H 4.703 0.03 1 272 38 39 ASP HB2 H 2.355 0.03 2 273 38 39 ASP HB3 H 2.262 0.03 2 274 38 39 ASP CA C 52.530 0.50 1 275 38 39 ASP CB C 43.350 0.50 1 276 38 39 ASP N N 124.884 0.25 1 277 39 40 SER H H 8.297 0.03 1 278 39 40 SER HA H 5.442 0.03 1 279 39 40 SER HB2 H 3.415 0.03 2 280 39 40 SER CA C 56.100 0.50 1 281 39 40 SER CB C 65.050 0.50 1 282 39 40 SER N N 113.791 0.25 1 283 40 41 TYR H H 8.948 0.03 1 284 40 41 TYR HA H 4.472 0.03 1 285 40 41 TYR HB2 H 2.781 0.03 2 286 40 41 TYR HB3 H 2.432 0.03 2 287 40 41 TYR CA C 56.640 0.50 1 288 40 41 TYR CB C 41.950 0.50 1 289 40 41 TYR N N 122.976 0.25 1 290 41 42 ARG H H 8.437 0.03 1 291 41 42 ARG HA H 5.555 0.03 1 292 41 42 ARG HB2 H 1.775 0.03 2 293 41 42 ARG HG2 H 1.508 0.03 2 294 41 42 ARG HG3 H 1.428 0.03 2 295 41 42 ARG HD2 H 3.108 0.03 2 296 41 42 ARG HD3 H 2.972 0.03 2 297 41 42 ARG CA C 54.260 0.50 1 298 41 42 ARG CB C 33.150 0.50 1 299 41 42 ARG CG C 27.790 0.50 1 300 41 42 ARG CD C 43.210 0.50 1 301 41 42 ARG N N 120.855 0.25 1 302 42 43 LYS H H 8.794 0.03 1 303 42 43 LYS HA H 4.261 0.03 1 304 42 43 LYS HB2 H 1.416 0.03 2 305 42 43 LYS HB3 H 1.368 0.03 2 306 42 43 LYS HG2 H 0.884 0.03 2 307 42 43 LYS HD2 H 1.158 0.03 2 308 42 43 LYS HD3 H 0.780 0.03 2 309 42 43 LYS HE2 H 2.591 0.03 2 310 42 43 LYS HE3 H 2.431 0.03 2 311 42 43 LYS CA C 55.530 0.50 1 312 42 43 LYS CB C 37.680 0.50 1 313 42 43 LYS CG C 24.520 0.50 1 314 42 43 LYS CD C 29.540 0.50 1 315 42 43 LYS CE C 41.910 0.50 1 316 42 43 LYS N N 123.062 0.25 1 317 43 44 GLN H H 8.680 0.03 1 318 43 44 GLN HA H 5.256 0.03 1 319 43 44 GLN HB2 H 1.904 0.03 2 320 43 44 GLN HB3 H 1.844 0.03 2 321 43 44 GLN HG2 H 2.235 0.03 2 322 43 44 GLN HG3 H 2.141 0.03 2 323 43 44 GLN CA C 54.850 0.50 1 324 43 44 GLN CB C 29.320 0.50 1 325 43 44 GLN CG C 33.570 0.50 1 326 43 44 GLN N N 129.918 0.25 1 327 44 45 VAL H H 8.940 0.03 1 328 44 45 VAL HA H 4.611 0.03 1 329 44 45 VAL HB H 2.084 0.03 1 330 44 45 VAL HG1 H 0.842 0.03 2 331 44 45 VAL HG2 H 0.691 0.03 2 332 44 45 VAL CA C 59.160 0.50 1 333 44 45 VAL CB C 35.720 0.50 1 334 44 45 VAL CG1 C 22.450 0.50 2 335 44 45 VAL CG2 C 19.820 0.50 2 336 44 45 VAL N N 120.469 0.25 1 337 45 46 GLU H H 8.199 0.03 1 338 45 46 GLU HA H 4.869 0.03 1 339 45 46 GLU HG2 H 1.738 0.03 2 340 45 46 GLU HG3 H 1.649 0.03 2 341 45 46 GLU CA C 54.440 0.50 1 342 45 46 GLU CB C 30.990 0.50 1 343 45 46 GLU CG C 36.400 0.50 1 344 45 46 GLU N N 122.945 0.25 1 345 46 47 VAL H H 8.307 0.03 1 346 46 47 VAL HA H 3.711 0.03 1 347 46 47 VAL HB H 1.658 0.03 1 348 46 47 VAL HG1 H 0.459 0.03 2 349 46 47 VAL HG2 H 0.241 0.03 2 350 46 47 VAL CA C 61.050 0.50 1 351 46 47 VAL CB C 33.530 0.50 1 352 46 47 VAL CG1 C 20.480 0.50 2 353 46 47 VAL CG2 C 20.680 0.50 2 354 46 47 VAL N N 125.275 0.25 1 355 47 48 ASP H H 9.212 0.03 1 356 47 48 ASP HA H 4.049 0.03 1 357 47 48 ASP HB2 H 2.668 0.03 2 358 47 48 ASP HB3 H 2.537 0.03 2 359 47 48 ASP CA C 55.550 0.50 1 360 47 48 ASP CB C 38.280 0.50 1 361 47 48 ASP N N 129.816 0.25 1 362 48 49 ALA H H 8.541 0.03 1 363 48 49 ALA HA H 3.806 0.03 1 364 48 49 ALA HB H 1.379 0.03 1 365 48 49 ALA CA C 53.090 0.50 1 366 48 49 ALA CB C 17.070 0.50 1 367 48 49 ALA N N 113.045 0.25 1 368 49 50 GLN H H 7.598 0.03 1 369 49 50 GLN HA H 4.563 0.03 1 370 49 50 GLN HB2 H 1.979 0.03 2 371 49 50 GLN HB3 H 1.788 0.03 2 372 49 50 GLN HG2 H 2.243 0.03 2 373 49 50 GLN CA C 53.760 0.50 1 374 49 50 GLN CB C 30.900 0.50 1 375 49 50 GLN CG C 33.220 0.50 1 376 49 50 GLN N N 118.099 0.25 1 377 50 51 GLN H H 8.793 0.03 1 378 50 51 GLN HA H 4.443 0.03 1 379 50 51 GLN HB2 H 1.950 0.03 2 380 50 51 GLN HG2 H 2.315 0.03 2 381 50 51 GLN CA C 55.770 0.50 1 382 50 51 GLN CB C 28.260 0.50 1 383 50 51 GLN CG C 32.810 0.50 1 384 50 51 GLN N N 123.326 0.25 1 385 51 52 CYS H H 9.069 0.03 1 386 51 52 CYS HA H 4.905 0.03 1 387 51 52 CYS HB2 H 2.761 0.03 2 388 51 52 CYS HB3 H 2.545 0.03 2 389 51 52 CYS CA C 57.290 0.50 1 390 51 52 CYS CB C 31.240 0.50 1 391 51 52 CYS N N 121.585 0.25 1 392 52 53 MET H H 8.936 0.03 1 393 52 53 MET HA H 5.061 0.03 1 394 52 53 MET CA C 53.230 0.50 1 395 52 53 MET CB C 31.230 0.50 1 396 52 53 MET N N 122.215 0.25 1 397 53 54 LEU H H 8.020 0.03 1 398 53 54 LEU CA C 58.680 0.50 1 399 53 54 LEU CB C 42.940 0.50 1 400 53 54 LEU N N 121.717 0.25 1 401 54 55 GLU HA H 4.914 0.03 1 402 54 55 GLU CA C 54.855 0.50 1 403 54 55 GLU CB C 31.879 0.50 1 404 54 55 GLU CG C 36.304 0.50 1 405 55 56 ILE H H 9.274 0.03 1 406 55 56 ILE HA H 4.392 0.03 1 407 55 56 ILE HB H 1.497 0.03 1 408 55 56 ILE HG12 H 1.221 0.03 2 409 55 56 ILE HG13 H 0.850 0.03 2 410 55 56 ILE HG2 H 0.606 0.03 1 411 55 56 ILE HD1 H 0.235 0.03 1 412 55 56 ILE CA C 59.880 0.50 1 413 55 56 ILE CB C 40.760 0.50 1 414 55 56 ILE CG1 C 27.530 0.50 1 415 55 56 ILE CG2 C 19.800 0.50 1 416 55 56 ILE CD1 C 14.460 0.50 1 417 55 56 ILE N N 126.670 0.25 1 418 56 57 LEU H H 8.717 0.03 1 419 56 57 LEU HA H 4.553 0.03 1 420 56 57 LEU HB2 H 1.673 0.03 2 421 56 57 LEU HB3 H 1.233 0.03 2 422 56 57 LEU HG H 1.006 0.03 1 423 56 57 LEU HD1 H 0.429 0.03 2 424 56 57 LEU HD2 H 0.260 0.03 2 425 56 57 LEU CA C 54.290 0.50 1 426 56 57 LEU CB C 42.600 0.50 1 427 56 57 LEU CG C 26.950 0.50 1 428 56 57 LEU CD1 C 22.590 0.50 2 429 56 57 LEU CD2 C 25.660 0.50 2 430 56 57 LEU N N 129.157 0.25 1 431 57 58 ASP H H 8.556 0.03 1 432 57 58 ASP HA H 4.653 0.03 1 433 57 58 ASP HB2 H 3.031 0.03 2 434 57 58 ASP HB3 H 2.522 0.03 2 435 57 58 ASP CA C 52.920 0.50 1 436 57 58 ASP CB C 40.820 0.50 1 437 57 58 ASP N N 129.121 0.25 1 438 58 59 THR H H 6.630 0.03 1 439 58 59 THR HA H 4.251 0.03 1 440 58 59 THR HB H 4.089 0.03 1 441 58 59 THR HG2 H 0.898 0.03 1 442 58 59 THR CA C 61.910 0.50 1 443 58 59 THR CB C 71.690 0.50 1 444 58 59 THR CG2 C 21.380 0.50 1 445 58 59 THR N N 110.076 0.25 1 446 59 60 ALA H H 9.104 0.03 1 447 59 60 ALA HA H 4.590 0.03 1 448 59 60 ALA HB H 1.223 0.03 1 449 59 60 ALA CA C 51.611 0.50 1 450 59 60 ALA CB C 20.987 0.50 1 451 60 61 GLY H H 8.472 0.03 1 452 60 61 GLY HA2 H 4.075 0.03 2 453 60 61 GLY HA3 H 3.941 0.03 2 454 60 61 GLY CA C 45.410 0.50 1 455 60 61 GLY N N 107.209 0.25 1 456 61 62 THR H H 7.774 0.03 1 457 61 62 THR HA H 4.325 0.03 1 458 61 62 THR HB H 4.382 0.03 1 459 61 62 THR HG2 H 1.183 0.03 1 460 61 62 THR CA C 61.130 0.50 1 461 61 62 THR CB C 69.720 0.50 1 462 61 62 THR CG2 C 21.890 0.50 1 463 61 62 THR N N 111.294 0.25 1 464 62 63 GLU H H 8.758 0.03 1 465 62 63 GLU HA H 4.131 0.03 1 466 62 63 GLU HB2 H 1.968 0.03 2 467 62 63 GLU HB3 H 1.897 0.03 2 468 62 63 GLU HG2 H 2.212 0.03 2 469 62 63 GLU CA C 57.830 0.50 1 470 62 63 GLU CB C 29.070 0.50 1 471 62 63 GLU CG C 36.080 0.50 1 472 62 63 GLU N N 122.235 0.25 1 473 63 64 GLN H H 8.198 0.03 1 474 63 64 GLN HA H 3.998 0.03 1 475 63 64 GLN HB2 H 1.734 0.03 2 476 63 64 GLN HB3 H 1.680 0.03 2 477 63 64 GLN HG2 H 2.014 0.03 2 478 63 64 GLN HG3 H 1.900 0.03 2 479 63 64 GLN HE21 H 7.204 0.03 2 480 63 64 GLN HE22 H 6.739 0.03 2 481 63 64 GLN CA C 56.750 0.50 1 482 63 64 GLN CB C 28.620 0.50 1 483 63 64 GLN CG C 33.180 0.50 1 484 63 64 GLN N N 119.119 0.25 1 485 63 64 GLN NE2 N 109.273 0.25 1 486 64 65 PHE H H 7.898 0.03 1 487 64 65 PHE HA H 4.612 0.03 1 488 64 65 PHE HB2 H 3.263 0.03 2 489 64 65 PHE HB3 H 2.920 0.03 2 490 64 65 PHE CA C 58.020 0.50 1 491 64 65 PHE CB C 38.770 0.50 1 492 64 65 PHE N N 118.992 0.25 1 493 65 66 THR H H 7.965 0.03 1 494 65 66 THR HA H 4.009 0.03 1 495 65 66 THR HB H 4.241 0.03 1 496 65 66 THR HG2 H 1.142 0.03 1 497 65 66 THR CA C 63.380 0.50 1 498 65 66 THR CB C 69.660 0.50 1 499 65 66 THR CG2 C 21.660 0.50 1 500 65 66 THR N N 114.653 0.25 1 501 66 67 ALA H H 8.268 0.03 1 502 66 67 ALA HA H 4.062 0.03 1 503 66 67 ALA HB H 1.328 0.03 1 504 66 67 ALA CA C 54.260 0.50 1 505 66 67 ALA CB C 17.950 0.50 1 506 66 67 ALA N N 123.443 0.25 1 507 67 68 MET H H 7.715 0.03 1 508 67 68 MET HA H 4.261 0.03 1 509 67 68 MET HB2 H 1.954 0.03 2 510 67 68 MET HG2 H 2.556 0.03 2 511 67 68 MET HG3 H 2.447 0.03 2 512 67 68 MET CA C 56.080 0.50 1 513 67 68 MET CB C 31.910 0.50 1 514 67 68 MET CG C 32.190 0.50 1 515 67 68 MET N N 115.922 0.25 1 516 68 69 ARG H H 7.532 0.03 1 517 68 69 ARG HA H 3.288 0.03 1 518 68 69 ARG HB2 H 1.671 0.03 2 519 68 69 ARG HG2 H 1.511 0.03 2 520 68 69 ARG HD2 H 3.050 0.03 2 521 68 69 ARG CA C 58.590 0.50 1 522 68 69 ARG CB C 29.390 0.50 1 523 68 69 ARG CG C 27.000 0.50 1 524 68 69 ARG CD C 43.190 0.50 1 525 68 69 ARG N N 120.515 0.25 1 526 70 71 LEU H H 7.375 0.03 1 527 70 71 LEU HA H 3.972 0.03 1 528 70 71 LEU HB2 H 1.579 0.03 2 529 70 71 LEU HG H 1.517 0.03 1 530 70 71 LEU HD1 H 0.807 0.03 2 531 70 71 LEU HD2 H 0.755 0.03 2 532 70 71 LEU CA C 57.930 0.50 1 533 70 71 LEU CB C 41.330 0.50 1 534 70 71 LEU CG C 26.630 0.50 1 535 70 71 LEU CD1 C 24.100 0.50 2 536 70 71 LEU CD2 C 24.100 0.50 2 537 70 71 LEU N N 119.759 0.25 1 538 73 74 LYS H H 8.102 0.03 1 539 73 74 LYS HA H 3.725 0.03 1 540 73 74 LYS HB2 H 1.849 0.03 2 541 73 74 LYS HB3 H 1.781 0.03 2 542 73 74 LYS HG2 H 1.386 0.03 2 543 73 74 LYS HG3 H 1.281 0.03 2 544 73 74 LYS HD2 H 1.577 0.03 2 545 73 74 LYS HD3 H 1.516 0.03 2 546 73 74 LYS HE2 H 2.864 0.03 2 547 73 74 LYS HE3 H 2.794 0.03 2 548 73 74 LYS CA C 59.450 0.50 1 549 73 74 LYS CB C 32.410 0.50 1 550 73 74 LYS CG C 25.050 0.50 1 551 73 74 LYS CD C 29.030 0.50 1 552 73 74 LYS CE C 41.780 0.50 1 553 73 74 LYS N N 119.170 0.25 1 554 74 75 ASN H H 7.976 0.03 1 555 74 75 ASN HA H 4.482 0.03 1 556 74 75 ASN HB2 H 2.625 0.03 2 557 74 75 ASN CA C 53.750 0.50 1 558 74 75 ASN CB C 38.870 0.50 1 559 74 75 ASN N N 113.821 0.25 1 560 75 76 GLY H H 7.741 0.03 1 561 75 76 GLY HA2 H 3.518 0.03 2 562 75 76 GLY HA3 H 3.198 0.03 2 563 75 76 GLY CA C 45.780 0.50 1 564 75 76 GLY N N 107.458 0.25 1 565 76 77 GLN H H 8.913 0.03 1 566 76 77 GLN HA H 4.437 0.03 1 567 76 77 GLN HB2 H 2.079 0.03 2 568 76 77 GLN HB3 H 1.809 0.03 2 569 76 77 GLN HG2 H 2.453 0.03 2 570 76 77 GLN HG3 H 2.302 0.03 2 571 76 77 GLN CA C 55.730 0.50 1 572 76 77 GLN CB C 31.650 0.50 1 573 76 77 GLN CG C 35.460 0.50 1 574 76 77 GLN N N 119.637 0.25 1 575 77 78 GLY H H 6.858 0.03 1 576 77 78 GLY HA2 H 4.779 0.03 2 577 77 78 GLY HA3 H 3.011 0.03 2 578 77 78 GLY CA C 45.240 0.50 1 579 77 78 GLY N N 101.074 0.25 1 580 78 79 PHE H H 7.751 0.03 1 581 78 79 PHE HA H 5.266 0.03 1 582 78 79 PHE HB2 H 2.685 0.03 2 583 78 79 PHE HB3 H 2.651 0.03 2 584 78 79 PHE CA C 56.950 0.50 1 585 78 79 PHE CB C 43.060 0.50 1 586 78 79 PHE N N 120.586 0.25 1 587 79 80 ALA H H 9.029 0.03 1 588 79 80 ALA HA H 5.076 0.03 1 589 79 80 ALA HB H 0.834 0.03 1 590 79 80 ALA CA C 49.510 0.50 1 591 79 80 ALA CB C 18.650 0.50 1 592 79 80 ALA N N 126.741 0.25 1 593 80 81 LEU H H 8.992 0.03 1 594 80 81 LEU HA H 4.889 0.03 1 595 80 81 LEU HB2 H 1.950 0.03 2 596 80 81 LEU HB3 H 1.155 0.03 2 597 80 81 LEU HG H 1.705 0.03 1 598 80 81 LEU HD1 H 0.726 0.03 2 599 80 81 LEU HD2 H 0.605 0.03 2 600 80 81 LEU CA C 54.580 0.50 1 601 80 81 LEU CB C 42.160 0.50 1 602 80 81 LEU CG C 28.330 0.50 1 603 80 81 LEU CD1 C 25.530 0.50 2 604 80 81 LEU CD2 C 25.200 0.50 2 605 80 81 LEU N N 128.106 0.25 1 606 81 82 VAL HA H 5.068 0.03 1 607 81 82 VAL HB H 1.830 0.03 1 608 81 82 VAL HG1 H 0.630 0.03 2 609 81 82 VAL HG2 H 0.549 0.03 2 610 81 82 VAL CA C 60.380 0.50 1 611 81 82 VAL CB C 33.071 0.50 1 612 81 82 VAL CG1 C 20.840 0.50 2 613 81 82 VAL CG2 C 22.510 0.50 2 614 82 83 TYR H H 9.299 0.03 1 615 82 83 TYR HA H 4.895 0.03 1 616 82 83 TYR HB2 H 3.263 0.03 2 617 82 83 TYR HB3 H 2.914 0.03 2 618 82 83 TYR CA C 55.000 0.50 1 619 82 83 TYR CB C 38.700 0.50 1 620 82 83 TYR N N 123.072 0.25 1 621 83 84 SER H H 8.586 0.03 1 622 83 84 SER HA H 4.886 0.03 1 623 83 84 SER HB2 H 3.769 0.03 2 624 83 84 SER HB3 H 3.543 0.03 2 625 83 84 SER CA C 53.830 0.50 1 626 83 84 SER CB C 64.770 0.50 1 627 83 84 SER N N 111.644 0.25 1 628 84 85 ILE H H 8.470 0.03 1 629 84 85 ILE HA H 4.085 0.03 1 630 84 85 ILE HB H 2.111 0.03 1 631 84 85 ILE HG12 H 0.999 0.03 2 632 84 85 ILE HG2 H 0.814 0.03 1 633 84 85 ILE HD1 H 0.453 0.03 1 634 84 85 ILE CA C 64.330 0.50 1 635 84 85 ILE CB C 37.710 0.50 1 636 84 85 ILE CG1 C 26.960 0.50 1 637 84 85 ILE CG2 C 17.670 0.50 1 638 84 85 ILE CD1 C 15.310 0.50 1 639 84 85 ILE N N 120.246 0.25 1 640 85 86 THR H H 8.259 0.03 1 641 85 86 THR HA H 4.533 0.03 1 642 85 86 THR HB H 4.551 0.03 1 643 85 86 THR HG2 H 0.921 0.03 1 644 85 86 THR CA C 61.220 0.50 1 645 85 86 THR CB C 68.930 0.50 1 646 85 86 THR CG2 C 22.604 0.50 1 647 85 86 THR N N 111.974 0.25 1 648 86 87 ALA H H 7.554 0.03 1 649 86 87 ALA HA H 4.811 0.03 1 650 86 87 ALA HB H 1.305 0.03 1 651 86 87 ALA CA C 51.300 0.50 1 652 86 87 ALA CB C 21.100 0.50 1 653 86 87 ALA N N 125.061 0.25 1 654 87 88 GLN H H 8.937 0.03 1 655 87 88 GLN HA H 3.585 0.03 1 656 87 88 GLN HB2 H 1.912 0.03 2 657 87 88 GLN HG2 H 2.306 0.03 2 658 87 88 GLN HG3 H 2.140 0.03 2 659 87 88 GLN CA C 58.850 0.50 1 660 87 88 GLN CB C 28.510 0.50 1 661 87 88 GLN CG C 36.090 0.50 1 662 87 88 GLN N N 128.771 0.25 1 663 88 89 SER H H 9.234 0.03 1 664 88 89 SER HA H 4.004 0.03 1 665 88 89 SER HB2 H 3.822 0.03 2 666 88 89 SER CA C 61.530 0.50 1 667 88 89 SER CB C 61.160 0.50 1 668 88 89 SER N N 114.801 0.25 1 669 89 90 THR H H 7.057 0.03 1 670 89 90 THR HA H 4.235 0.03 1 671 89 90 THR HB H 4.680 0.03 1 672 89 90 THR HG2 H 1.270 0.03 1 673 89 90 THR CA C 64.020 0.50 1 674 89 90 THR CB C 68.610 0.50 1 675 89 90 THR CG2 C 22.830 0.50 1 676 89 90 THR N N 112.035 0.25 1 677 90 91 PHE H H 7.087 0.03 1 678 90 91 PHE HA H 3.844 0.03 1 679 90 91 PHE HB2 H 3.101 0.03 2 680 90 91 PHE HB3 H 2.437 0.03 2 681 90 91 PHE CA C 59.660 0.50 1 682 90 91 PHE CB C 39.950 0.50 1 683 90 91 PHE N N 124.742 0.25 1 684 91 92 ASN H H 8.035 0.03 1 685 91 92 ASN HA H 4.192 0.03 1 686 91 92 ASN HB2 H 2.894 0.03 2 687 91 92 ASN CA C 55.490 0.50 1 688 91 92 ASN CB C 36.820 0.50 1 689 91 92 ASN N N 119.469 0.25 1 690 92 93 ASP H H 7.984 0.03 1 691 92 93 ASP HA H 4.437 0.03 1 692 92 93 ASP HB2 H 2.627 0.03 2 693 92 93 ASP CA C 55.820 0.50 1 694 92 93 ASP CB C 40.480 0.50 1 695 92 93 ASP N N 118.480 0.25 1 696 93 94 LEU H H 7.193 0.03 1 697 93 94 LEU HA H 4.026 0.03 1 698 93 94 LEU HB2 H 1.893 0.03 2 699 93 94 LEU HB3 H 1.470 0.03 2 700 93 94 LEU HG H 2.195 0.03 1 701 93 94 LEU HD1 H 0.920 0.03 2 702 93 94 LEU HD2 H 0.812 0.03 2 703 93 94 LEU CA C 57.190 0.50 1 704 93 94 LEU CB C 42.650 0.50 1 705 93 94 LEU CG C 25.380 0.50 1 706 93 94 LEU CD1 C 23.010 0.50 2 707 93 94 LEU CD2 C 28.080 0.50 2 708 93 94 LEU N N 116.470 0.25 1 709 94 95 GLN H H 7.654 0.03 1 710 94 95 GLN HA H 4.031 0.03 1 711 94 95 GLN HB2 H 2.242 0.03 2 712 94 95 GLN HB3 H 2.075 0.03 2 713 94 95 GLN HG2 H 2.344 0.03 2 714 94 95 GLN CA C 59.830 0.50 1 715 94 95 GLN CB C 27.560 0.50 1 716 94 95 GLN CG C 33.380 0.50 1 717 94 95 GLN N N 118.327 0.25 1 718 95 96 ASP H H 8.246 0.03 1 719 95 96 ASP HA H 4.305 0.03 1 720 95 96 ASP HB2 H 2.547 0.03 2 721 95 96 ASP HB3 H 2.494 0.03 2 722 95 96 ASP CA C 56.510 0.50 1 723 95 96 ASP CB C 40.870 0.50 1 724 95 96 ASP N N 117.181 0.25 1 725 96 97 LEU H H 6.960 0.03 1 726 96 97 LEU HA H 3.915 0.03 1 727 96 97 LEU HB2 H 1.832 0.03 2 728 96 97 LEU HB3 H 1.243 0.03 2 729 96 97 LEU HG H 1.661 0.03 1 730 96 97 LEU HD1 H 0.833 0.03 2 731 96 97 LEU HD2 H 0.790 0.03 2 732 96 97 LEU CA C 57.510 0.50 1 733 96 97 LEU CB C 42.060 0.50 1 734 96 97 LEU CG C 26.690 0.50 1 735 96 97 LEU CD1 C 24.970 0.50 2 736 96 97 LEU CD2 C 24.000 0.50 2 737 96 97 LEU N N 119.307 0.25 1 738 97 98 ARG H H 7.709 0.03 1 739 97 98 ARG HA H 3.254 0.03 1 740 97 98 ARG CA C 59.610 0.50 1 741 97 98 ARG CB C 28.300 0.50 1 742 97 98 ARG N N 118.109 0.25 1 743 98 99 GLU H H 7.584 0.03 1 744 98 99 GLU HA H 3.578 0.03 1 745 98 99 GLU HB2 H 1.912 0.03 2 746 98 99 GLU HG2 H 2.306 0.03 2 747 98 99 GLU HG3 H 2.140 0.03 2 748 98 99 GLU CA C 58.970 0.50 1 749 98 99 GLU CB C 28.470 0.50 1 750 98 99 GLU CG C 36.090 0.50 1 751 98 99 GLU N N 115.359 0.25 1 752 99 100 GLN H H 7.599 0.03 1 753 99 100 GLN HA H 3.797 0.03 1 754 99 100 GLN HG2 H 2.332 0.03 2 755 99 100 GLN HG3 H 2.252 0.03 2 756 99 100 GLN CA C 58.960 0.50 1 757 99 100 GLN CB C 27.620 0.50 1 758 99 100 GLN CG C 32.940 0.50 1 759 99 100 GLN N N 118.586 0.25 1 760 100 101 ILE H H 7.437 0.03 1 761 100 101 ILE HA H 3.175 0.03 1 762 100 101 ILE HB H 1.371 0.03 1 763 100 101 ILE HG12 H 1.546 0.03 2 764 100 101 ILE HG13 H 0.920 0.03 2 765 100 101 ILE HG2 H -0.093 0.03 1 766 100 101 ILE HD1 H 0.208 0.03 1 767 100 101 ILE CA C 65.270 0.50 1 768 100 101 ILE CB C 38.000 0.50 1 769 100 101 ILE CG1 C 28.170 0.50 1 770 100 101 ILE CG2 C 17.640 0.50 1 771 100 101 ILE CD1 C 15.500 0.50 1 772 100 101 ILE N N 119.139 0.25 1 773 101 102 LEU H H 7.517 0.03 1 774 101 102 LEU HA H 3.725 0.03 1 775 101 102 LEU HB2 H 1.462 0.03 2 776 101 102 LEU HG H 1.605 0.03 1 777 101 102 LEU HD1 H 0.515 0.03 2 778 101 102 LEU HD2 H 0.505 0.03 2 779 101 102 LEU CA C 57.730 0.50 1 780 101 102 LEU CB C 39.970 0.50 1 781 101 102 LEU CG C 27.000 0.50 1 782 101 102 LEU CD1 C 22.330 0.50 2 783 101 102 LEU CD2 C 23.790 0.50 2 784 101 102 LEU N N 117.500 0.25 1 785 102 103 ARG H H 7.730 0.03 1 786 102 103 ARG HA H 3.959 0.03 1 787 102 103 ARG HB2 H 1.808 0.03 2 788 102 103 ARG HB3 H 1.707 0.03 2 789 102 103 ARG HG2 H 1.517 0.03 2 790 102 103 ARG HG3 H 1.414 0.03 2 791 102 103 ARG HD2 H 3.098 0.03 2 792 102 103 ARG CA C 58.770 0.50 1 793 102 103 ARG CB C 29.990 0.50 1 794 102 103 ARG CG C 26.740 0.50 1 795 102 103 ARG CD C 43.240 0.50 1 796 102 103 ARG N N 118.637 0.25 1 797 103 104 VAL H H 7.954 0.03 1 798 103 104 VAL HA H 3.635 0.03 1 799 103 104 VAL HB H 1.907 0.03 1 800 103 104 VAL HG1 H 0.928 0.03 2 801 103 104 VAL HG2 H 0.809 0.03 2 802 103 104 VAL CA C 65.230 0.50 1 803 103 104 VAL CB C 31.710 0.50 1 804 103 104 VAL CG1 C 22.500 0.50 2 805 103 104 VAL CG2 C 21.150 0.50 2 806 103 104 VAL N N 118.480 0.25 1 807 104 105 LYS H H 8.123 0.03 1 808 104 105 LYS HA H 4.038 0.03 1 809 104 105 LYS HB2 H 1.717 0.03 2 810 104 105 LYS HB3 H 1.629 0.03 2 811 104 105 LYS HG2 H 1.389 0.03 2 812 104 105 LYS HG3 H 1.287 0.03 2 813 104 105 LYS HE2 H 3.267 0.03 2 814 104 105 LYS HE3 H 3.091 0.03 2 815 104 105 LYS CA C 55.950 0.50 1 816 104 105 LYS CB C 31.770 0.50 1 817 104 105 LYS CG C 24.890 0.50 1 818 104 105 LYS CE C 41.850 0.50 1 819 104 105 LYS N N 116.282 0.25 1 820 105 106 ASP H H 7.905 0.03 1 821 105 106 ASP HA H 4.192 0.03 1 822 105 106 ASP HB2 H 3.015 0.03 2 823 105 106 ASP HB3 H 2.179 0.03 2 824 105 106 ASP CA C 54.330 0.50 1 825 105 106 ASP CB C 39.790 0.50 1 826 105 106 ASP N N 119.002 0.25 1 827 106 107 THR H H 7.424 0.03 1 828 106 107 THR HA H 4.419 0.03 1 829 106 107 THR HB H 4.161 0.03 1 830 106 107 THR HG2 H 0.831 0.03 1 831 106 107 THR CA C 59.340 0.50 1 832 106 107 THR CB C 68.240 0.50 1 833 106 107 THR CG2 C 19.480 0.50 1 834 106 107 THR N N 110.467 0.25 1 835 107 108 ASP H H 7.866 0.03 1 836 107 108 ASP HA H 4.537 0.03 1 837 107 108 ASP HB2 H 2.574 0.03 2 838 107 108 ASP HB3 H 2.454 0.03 2 839 107 108 ASP CA C 53.650 0.50 1 840 107 108 ASP CB C 40.440 0.50 1 841 107 108 ASP N N 119.388 0.25 1 842 108 109 ASP H H 8.068 0.03 1 843 108 109 ASP HA H 4.621 0.03 1 844 108 109 ASP HB2 H 2.637 0.03 2 845 108 109 ASP HB3 H 2.424 0.03 2 846 108 109 ASP CA C 53.060 0.50 1 847 108 109 ASP CB C 40.450 0.50 1 848 108 109 ASP N N 122.174 0.25 1 849 109 110 VAL H H 7.387 0.03 1 850 109 110 VAL HA H 4.442 0.03 1 851 109 110 VAL HB H 1.654 0.03 1 852 109 110 VAL HG1 H 0.827 0.03 2 853 109 110 VAL HG2 H 0.663 0.03 2 854 109 110 VAL CA C 58.310 0.50 1 855 109 110 VAL CB C 35.530 0.50 1 856 109 110 VAL CG1 C 20.940 0.50 2 857 109 110 VAL CG2 C 21.860 0.50 2 858 109 110 VAL N N 121.408 0.25 1 859 110 111 PRO HA H 4.478 0.03 1 860 110 111 PRO HD2 H 3.935 0.03 2 861 110 111 PRO HD3 H 3.749 0.03 2 862 110 111 PRO CA C 63.960 0.50 1 863 110 111 PRO CB C 31.360 0.50 1 864 110 111 PRO CD C 51.620 0.50 1 865 111 112 MET H H 8.340 0.03 1 866 111 112 MET HA H 5.694 0.03 1 867 111 112 MET HB2 H 2.140 0.03 2 868 111 112 MET HG2 H 2.604 0.03 2 869 111 112 MET CA C 54.950 0.50 1 870 111 112 MET CB C 36.510 0.50 1 871 111 112 MET CG C 32.080 0.50 1 872 111 112 MET N N 124.381 0.25 1 873 112 113 ILE H H 8.560 0.03 1 874 112 113 ILE HA H 4.671 0.03 1 875 112 113 ILE HB H 1.306 0.03 1 876 112 113 ILE HG12 H 1.215 0.03 2 877 112 113 ILE HG2 H 0.750 0.03 1 878 112 113 ILE HD1 H 0.627 0.03 1 879 112 113 ILE CA C 59.610 0.50 1 880 112 113 ILE CB C 42.460 0.50 1 881 112 113 ILE CG1 C 27.000 0.50 1 882 112 113 ILE CG2 C 15.670 0.50 1 883 112 113 ILE CD1 C 15.080 0.50 1 884 112 113 ILE N N 121.773 0.25 1 885 113 114 LEU H H 8.758 0.03 1 886 113 114 LEU HA H 5.140 0.03 1 887 113 114 LEU HB2 H 2.196 0.03 2 888 113 114 LEU HB3 H 1.520 0.03 2 889 113 114 LEU HG H 1.834 0.03 1 890 113 114 LEU HD1 H 1.070 0.03 2 891 113 114 LEU HD2 H 0.633 0.03 2 892 113 114 LEU CA C 53.830 0.50 1 893 113 114 LEU CB C 43.620 0.50 1 894 113 114 LEU CG C 28.060 0.50 1 895 113 114 LEU CD1 C 24.540 0.50 2 896 113 114 LEU CD2 C 26.660 0.50 2 897 113 114 LEU N N 132.014 0.25 1 898 114 115 VAL H H 9.035 0.03 1 899 114 115 VAL HA H 4.716 0.03 1 900 114 115 VAL HB H 1.775 0.03 1 901 114 115 VAL HG1 H 0.525 0.03 2 902 114 115 VAL CA C 60.130 0.50 1 903 114 115 VAL CB C 34.980 0.50 1 904 114 115 VAL CG1 C 21.490 0.50 2 905 114 115 VAL N N 125.833 0.25 1 906 115 116 GLY H H 8.457 0.03 1 907 115 116 GLY HA2 H 2.591 0.03 2 908 115 116 GLY HA3 H 2.471 0.03 2 909 115 116 GLY CA C 44.750 0.50 1 910 115 116 GLY N N 113.293 0.25 1 911 116 117 ASN H H 8.770 0.03 1 912 116 117 ASN HA H 5.275 0.03 1 913 116 117 ASN HB2 H 2.630 0.03 2 914 116 117 ASN HB3 H 2.098 0.03 2 915 116 117 ASN CA C 51.540 0.50 1 916 116 117 ASN CB C 41.070 0.50 1 917 116 117 ASN N N 122.473 0.25 1 918 117 118 LYS H H 7.173 0.03 1 919 117 118 LYS HA H 4.013 0.03 1 920 117 118 LYS HB2 H 1.824 0.03 2 921 117 118 LYS CA C 57.010 0.50 1 922 117 118 LYS CB C 28.920 0.50 1 923 117 118 LYS CG C 23.710 0.50 1 924 117 118 LYS N N 110.467 0.25 1 925 118 119 CYS H H 9.026 0.03 1 926 118 119 CYS HA H 4.188 0.03 1 927 118 119 CYS HB2 H 3.250 0.03 2 928 118 119 CYS HB3 H 2.365 0.03 2 929 118 119 CYS CA C 59.590 0.50 1 930 118 119 CYS CB C 26.040 0.50 1 931 118 119 CYS N N 114.922 0.25 1 932 119 120 ASP H H 8.686 0.03 1 933 119 120 ASP HA H 4.437 0.03 1 934 119 120 ASP HB2 H 2.563 0.03 2 935 119 120 ASP HB3 H 2.494 0.03 2 936 119 120 ASP CA C 54.050 0.50 1 937 119 120 ASP CB C 40.180 0.50 1 938 119 120 ASP N N 117.389 0.25 1 939 120 121 LEU H H 7.999 0.03 1 940 120 121 LEU HA H 4.609 0.03 1 941 120 121 LEU HB2 H 1.825 0.03 2 942 120 121 LEU HB3 H 1.198 0.03 2 943 120 121 LEU HG H 1.386 0.03 1 944 120 121 LEU HD1 H 0.828 0.03 2 945 120 121 LEU HD2 H 0.588 0.03 2 946 120 121 LEU CA C 52.590 0.50 1 947 120 121 LEU CB C 38.430 0.50 1 948 120 121 LEU CG C 25.390 0.50 1 949 120 121 LEU CD1 C 26.270 0.50 2 950 120 121 LEU CD2 C 22.170 0.50 2 951 120 121 LEU N N 124.255 0.25 1 952 121 122 GLU H H 6.872 0.03 1 953 121 122 GLU HA H 3.743 0.03 1 954 121 122 GLU HB2 H 1.902 0.03 2 955 121 122 GLU HB3 H 1.838 0.03 2 956 121 122 GLU HG2 H 2.291 0.03 2 957 121 122 GLU HG3 H 2.155 0.03 2 958 121 122 GLU CA C 59.230 0.50 1 959 121 122 GLU CB C 29.510 0.50 1 960 121 122 GLU CG C 34.730 0.50 1 961 121 122 GLU N N 119.718 0.25 1 962 122 123 ASP H H 8.607 0.03 1 963 122 123 ASP HA H 4.320 0.03 1 964 122 123 ASP HB2 H 2.569 0.03 2 965 122 123 ASP CA C 56.090 0.50 1 966 122 123 ASP CB C 39.600 0.50 1 967 122 123 ASP N N 115.592 0.25 1 968 123 124 GLU H H 7.504 0.03 1 969 123 124 GLU HA H 4.293 0.03 1 970 123 124 GLU HB2 H 2.277 0.03 2 971 123 124 GLU HG2 H 2.069 0.03 2 972 123 124 GLU HG3 H 1.986 0.03 2 973 123 124 GLU CA C 54.610 0.50 1 974 123 124 GLU CB C 30.740 0.50 1 975 123 124 GLU CG C 36.350 0.50 1 976 123 124 GLU N N 117.622 0.25 1 977 124 125 ARG H H 7.112 0.03 1 978 124 125 ARG HA H 3.283 0.03 1 979 124 125 ARG HB2 H 1.730 0.03 2 980 124 125 ARG HB3 H 1.553 0.03 2 981 124 125 ARG HD2 H 3.060 0.03 2 982 124 125 ARG CA C 58.360 0.50 1 983 124 125 ARG CB C 31.420 0.50 1 984 124 125 ARG CD C 43.190 0.50 1 985 124 125 ARG N N 120.626 0.25 1 986 125 126 VAL H H 8.763 0.03 1 987 125 126 VAL HA H 4.257 0.03 1 988 125 126 VAL HB H 1.944 0.03 1 989 125 126 VAL HG1 H 0.897 0.03 2 990 125 126 VAL HG2 H 0.837 0.03 2 991 125 126 VAL CA C 62.170 0.50 1 992 125 126 VAL CB C 33.920 0.50 1 993 125 126 VAL CG1 C 21.380 0.50 2 994 125 126 VAL CG2 C 20.630 0.50 2 995 125 126 VAL N N 122.235 0.25 1 996 126 127 VAL H H 7.802 0.03 1 997 126 127 VAL HA H 3.820 0.03 1 998 126 127 VAL HB H 1.892 0.03 1 999 126 127 VAL HG1 H 0.532 0.03 2 1000 126 127 VAL HG2 H -0.001 0.03 2 1001 126 127 VAL CA C 61.230 0.50 1 1002 126 127 VAL CB C 31.850 0.50 1 1003 126 127 VAL CG1 C 19.550 0.50 2 1004 126 127 VAL CG2 C 20.130 0.50 2 1005 126 127 VAL N N 122.753 0.25 1 1006 127 128 GLY H H 8.518 0.03 1 1007 127 128 GLY HA2 H 3.944 0.03 2 1008 127 128 GLY HA3 H 4.079 0.03 2 1009 127 128 GLY CA C 45.520 0.50 1 1010 127 128 GLY N N 115.470 0.25 1 1011 128 129 LYS H H 8.976 0.03 1 1012 128 129 LYS HA H 4.095 0.03 1 1013 128 129 LYS HB2 H 1.791 0.03 2 1014 128 129 LYS HB3 H 1.679 0.03 2 1015 128 129 LYS HG2 H 1.456 0.03 2 1016 128 129 LYS HG3 H 1.396 0.03 2 1017 128 129 LYS HD2 H 1.597 0.03 2 1018 128 129 LYS HE2 H 2.882 0.03 2 1019 128 129 LYS HE3 H 2.831 0.03 2 1020 128 129 LYS CA C 60.000 0.50 1 1021 128 129 LYS CB C 32.270 0.50 1 1022 128 129 LYS CG C 25.270 0.50 1 1023 128 129 LYS CD C 29.480 0.50 1 1024 128 129 LYS CE C 41.820 0.50 1 1025 128 129 LYS N N 128.177 0.25 1 1026 129 130 GLU H H 8.859 0.03 1 1027 129 130 GLU HA H 3.887 0.03 1 1028 129 130 GLU HB2 H 1.708 0.03 2 1029 129 130 GLU HB3 H 1.665 0.03 2 1030 129 130 GLU HG2 H 2.158 0.03 2 1031 129 130 GLU HG3 H 2.121 0.03 2 1032 129 130 GLU CA C 58.950 0.50 1 1033 129 130 GLU CB C 28.200 0.50 1 1034 129 130 GLU CG C 36.020 0.50 1 1035 129 130 GLU N N 116.161 0.25 1 1036 130 131 GLN H H 7.091 0.03 1 1037 130 131 GLN HA H 3.806 0.03 1 1038 130 131 GLN HB2 H 1.770 0.03 2 1039 130 131 GLN HB3 H 1.555 0.03 2 1040 130 131 GLN HG2 H 2.126 0.03 2 1041 130 131 GLN HG3 H 2.014 0.03 2 1042 130 131 GLN CA C 59.020 0.50 1 1043 130 131 GLN CB C 27.800 0.50 1 1044 130 131 GLN CG C 34.730 0.50 1 1045 130 131 GLN N N 118.586 0.25 1 1046 131 132 GLY H H 6.991 0.03 1 1047 131 132 GLY HA2 H 3.475 0.03 2 1048 131 132 GLY HA3 H 3.378 0.03 2 1049 131 132 GLY CA C 47.280 0.50 1 1050 131 132 GLY N N 107.498 0.25 1 1051 132 133 GLN H H 7.570 0.03 1 1052 132 133 GLN HA H 3.098 0.03 1 1053 132 133 GLN HB2 H 1.825 0.03 2 1054 132 133 GLN HB3 H 1.670 0.03 2 1055 132 133 GLN HG2 H 2.161 0.03 2 1056 132 133 GLN CA C 57.910 0.50 1 1057 132 133 GLN CB C 28.300 0.50 1 1058 132 133 GLN CG C 34.230 0.50 1 1059 132 133 GLN N N 119.150 0.25 1 1060 133 134 ASN H H 8.091 0.03 1 1061 133 134 ASN HA H 4.198 0.03 1 1062 133 134 ASN HB2 H 2.684 0.03 2 1063 133 134 ASN HB3 H 2.563 0.03 2 1064 133 134 ASN CA C 55.560 0.50 1 1065 133 134 ASN CB C 37.660 0.50 1 1066 133 134 ASN N N 117.287 0.25 1 1067 134 135 LEU H H 7.313 0.03 1 1068 134 135 LEU HA H 3.635 0.03 1 1069 134 135 LEU HB2 H 1.306 0.03 2 1070 134 135 LEU HB3 H 1.008 0.03 2 1071 134 135 LEU HG H -0.465 0.03 1 1072 134 135 LEU HD1 H 0.181 0.03 2 1073 134 135 LEU HD2 H -0.293 0.03 2 1074 134 135 LEU CA C 57.000 0.50 1 1075 134 135 LEU CB C 40.820 0.50 1 1076 134 135 LEU CG C 25.330 0.50 1 1077 134 135 LEU CD1 C 22.330 0.50 2 1078 134 135 LEU CD2 C 26.120 0.50 2 1079 134 135 LEU N N 123.904 0.25 1 1080 135 136 ALA H H 7.503 0.03 1 1081 135 136 ALA HA H 3.735 0.03 1 1082 135 136 ALA HB H 1.372 0.03 1 1083 135 136 ALA CA C 54.900 0.50 1 1084 135 136 ALA CB C 17.880 0.50 1 1085 135 136 ALA N N 118.977 0.25 1 1086 136 137 ARG H H 7.581 0.03 1 1087 136 137 ARG HA H 3.828 0.03 1 1088 136 137 ARG HB2 H 1.821 0.03 2 1089 136 137 ARG HG2 H 1.694 0.03 2 1090 136 137 ARG HG3 H 1.512 0.03 2 1091 136 137 ARG HD2 H 3.110 0.03 2 1092 136 137 ARG CA C 59.790 0.50 1 1093 136 137 ARG CB C 29.830 0.50 1 1094 136 137 ARG CG C 27.390 0.50 1 1095 136 137 ARG CD C 43.160 0.50 1 1096 136 137 ARG N N 116.211 0.25 1 1097 137 138 GLN H H 7.568 0.03 1 1098 137 138 GLN HA H 4.009 0.03 1 1099 137 138 GLN HB2 H 2.173 0.03 2 1100 137 138 GLN HG2 H 2.429 0.03 2 1101 137 138 GLN HG3 H 2.331 0.03 2 1102 137 138 GLN CA C 58.040 0.50 1 1103 137 138 GLN CB C 27.980 0.50 1 1104 137 138 GLN CG C 33.740 0.50 1 1105 137 138 GLN N N 119.566 0.25 1 1106 138 139 TRP H H 7.988 0.03 1 1107 138 139 TRP HA H 4.779 0.03 1 1108 138 139 TRP HB2 H 3.240 0.03 2 1109 138 139 TRP HE1 H 9.956 0.03 1 1110 138 139 TRP CA C 53.320 0.50 1 1111 138 139 TRP CB C 27.300 0.50 1 1112 138 139 TRP N N 125.691 0.25 1 1113 138 139 TRP NE1 N 126.701 0.25 1 1114 139 140 ASN H H 7.865 0.03 1 1115 139 140 ASN HA H 4.261 0.03 1 1116 139 140 ASN HB2 H 3.019 0.03 2 1117 139 140 ASN HB3 H 2.673 0.03 2 1118 139 140 ASN CA C 53.610 0.50 1 1119 139 140 ASN CB C 36.460 0.50 1 1120 139 140 ASN N N 114.511 0.25 1 1121 140 141 ASN H H 8.076 0.03 1 1122 140 141 ASN HA H 4.235 0.03 1 1123 140 141 ASN HB2 H 2.891 0.03 2 1124 140 141 ASN HB3 H 2.696 0.03 2 1125 140 141 ASN CA C 53.950 0.50 1 1126 140 141 ASN CB C 36.830 0.50 1 1127 140 141 ASN N N 113.913 0.25 1 1128 141 142 CYS H H 7.564 0.03 1 1129 141 142 CYS HA H 4.550 0.03 1 1130 141 142 CYS HB2 H 3.506 0.03 2 1131 141 142 CYS HB3 H 3.053 0.03 2 1132 141 142 CYS CA C 58.040 0.50 1 1133 141 142 CYS CB C 27.720 0.50 1 1134 141 142 CYS N N 119.657 0.25 1 1135 142 143 ALA H H 7.973 0.03 1 1136 142 143 ALA HA H 4.265 0.03 1 1137 142 143 ALA HB H 1.377 0.03 1 1138 142 143 ALA CA C 53.220 0.50 1 1139 142 143 ALA CB C 19.510 0.50 1 1140 142 143 ALA N N 127.010 0.25 1 1141 143 144 PHE H H 8.018 0.03 1 1142 143 144 PHE HA H 5.941 0.03 1 1143 143 144 PHE HB2 H 2.978 0.03 2 1144 143 144 PHE HB3 H 2.491 0.03 2 1145 143 144 PHE CA C 55.790 0.50 1 1146 143 144 PHE CB C 42.690 0.50 1 1147 143 144 PHE N N 121.484 0.25 1 1148 144 145 LEU H H 8.036 0.03 1 1149 144 145 LEU HA H 3.752 0.03 1 1150 144 145 LEU HB2 H 1.378 0.03 2 1151 144 145 LEU HB3 H 1.077 0.03 2 1152 144 145 LEU HG H 1.283 0.03 1 1153 144 145 LEU HD1 H 0.580 0.03 2 1154 144 145 LEU HD2 H 0.436 0.03 2 1155 144 145 LEU CA C 53.850 0.50 1 1156 144 145 LEU CB C 45.760 0.50 1 1157 144 145 LEU CG C 24.920 0.50 1 1158 144 145 LEU CD1 C 24.250 0.50 2 1159 144 145 LEU CD2 C 25.470 0.50 2 1160 144 145 LEU N N 126.553 0.25 1 1161 145 146 GLU H H 7.681 0.03 1 1162 145 146 GLU HA H 4.937 0.03 1 1163 145 146 GLU HG2 H 1.875 0.03 2 1164 145 146 GLU CA C 54.800 0.50 1 1165 145 146 GLU CB C 31.380 0.50 1 1166 145 146 GLU CG C 36.540 0.50 1 1167 145 146 GLU N N 115.521 0.25 1 1168 146 147 SER H H 8.920 0.03 1 1169 146 147 SER HA H 4.770 0.03 1 1170 146 147 SER HB2 H 3.606 0.03 2 1171 146 147 SER HB3 H 3.025 0.03 2 1172 146 147 SER CA C 56.900 0.50 1 1173 146 147 SER CB C 69.500 0.50 1 1174 146 147 SER N N 118.140 0.25 1 1175 147 148 SER H H 8.793 0.03 1 1176 147 148 SER HA H 4.950 0.03 1 1177 147 148 SER HB2 H 4.285 0.03 2 1178 147 148 SER HB3 H 3.479 0.03 2 1179 147 148 SER CA C 57.010 0.50 1 1180 147 148 SER CB C 65.150 0.50 1 1181 147 148 SER N N 112.004 0.25 1 1182 148 149 ALA H H 8.970 0.03 1 1183 148 149 ALA HA H 3.896 0.03 1 1184 148 149 ALA HB H 1.448 0.03 1 1185 148 149 ALA CA C 54.680 0.50 1 1186 148 149 ALA CB C 18.580 0.50 1 1187 148 149 ALA N N 132.927 0.25 1 1188 149 150 LYS H H 6.733 0.03 1 1189 149 150 LYS HA H 2.478 0.03 1 1190 149 150 LYS CA C 57.920 0.50 1 1191 149 150 LYS CB C 34.200 0.50 1 1192 149 150 LYS CG C 23.881 0.50 1 1193 149 150 LYS CE C 41.750 0.50 1 1194 149 150 LYS N N 115.800 0.25 1 1195 150 151 SER H H 8.082 0.03 1 1196 150 151 SER HA H 4.196 0.03 1 1197 150 151 SER HB2 H 3.781 0.03 2 1198 150 151 SER HB3 H 3.390 0.03 2 1199 150 151 SER CA C 57.570 0.50 1 1200 150 151 SER CB C 63.450 0.50 1 1201 150 151 SER N N 111.614 0.25 1 1202 151 152 LYS H H 7.150 0.03 1 1203 151 152 LYS HA H 3.365 0.03 1 1204 151 152 LYS HB2 H 1.840 0.03 2 1205 151 152 LYS HG2 H 0.994 0.03 2 1206 151 152 LYS HD2 H 1.489 0.03 2 1207 151 152 LYS HE2 H 2.814 0.03 2 1208 151 152 LYS CA C 58.170 0.50 1 1209 151 152 LYS CB C 28.820 0.50 1 1210 151 152 LYS CG C 25.690 0.50 1 1211 151 152 LYS CD C 29.310 0.50 1 1212 151 152 LYS CE C 41.500 0.50 1 1213 151 152 LYS N N 116.511 0.25 1 1214 152 153 ILE H H 7.867 0.03 1 1215 152 153 ILE HA H 4.000 0.03 1 1216 152 153 ILE HB H 1.307 0.03 1 1217 152 153 ILE HG12 H 1.184 0.03 2 1218 152 153 ILE HG13 H 0.831 0.03 2 1219 152 153 ILE HG2 H 0.646 0.03 1 1220 152 153 ILE HD1 H 0.592 0.03 1 1221 152 153 ILE CA C 60.220 0.50 1 1222 152 153 ILE CB C 39.330 0.50 1 1223 152 153 ILE CG1 C 26.690 0.50 1 1224 152 153 ILE CG2 C 16.590 0.50 1 1225 152 153 ILE CD1 C 12.620 0.50 1 1226 152 153 ILE N N 120.677 0.25 1 1227 153 154 ASN H H 9.104 0.03 1 1228 153 154 ASN HA H 4.743 0.03 1 1229 153 154 ASN HB2 H 2.943 0.03 2 1230 153 154 ASN HB3 H 2.871 0.03 2 1231 153 154 ASN CA C 54.160 0.50 1 1232 153 154 ASN CB C 37.090 0.50 1 1233 153 154 ASN N N 122.154 0.25 1 1234 154 155 VAL H H 7.310 0.03 1 1235 154 155 VAL HA H 3.436 0.03 1 1236 154 155 VAL HB H 1.814 0.03 1 1237 154 155 VAL HG1 H 0.713 0.03 2 1238 154 155 VAL HG2 H 0.952 0.03 2 1239 154 155 VAL CA C 65.770 0.50 1 1240 154 155 VAL CB C 31.480 0.50 1 1241 154 155 VAL CG1 C 23.370 0.50 2 1242 154 155 VAL CG2 C 21.590 0.50 2 1243 154 155 VAL N N 115.623 0.25 1 1244 155 156 ASN H H 7.815 0.03 1 1245 155 156 ASN HA H 4.094 0.03 1 1246 155 156 ASN HB2 H 2.377 0.03 2 1247 155 156 ASN HB3 H 2.002 0.03 2 1248 155 156 ASN CA C 55.590 0.50 1 1249 155 156 ASN CB C 37.100 0.50 1 1250 155 156 ASN N N 114.943 0.25 1 1251 156 157 GLU H H 8.797 0.03 1 1252 156 157 GLU HA H 3.401 0.03 1 1253 156 157 GLU HB2 H 1.553 0.03 2 1254 156 157 GLU HG2 H 2.130 0.03 2 1255 156 157 GLU HG3 H 2.470 0.03 2 1256 156 157 GLU CA C 60.610 0.50 1 1257 156 157 GLU CB C 28.540 0.50 1 1258 156 157 GLU CG C 37.660 0.50 1 1259 156 157 GLU N N 117.018 0.25 1 1260 157 158 ILE H H 6.686 0.03 1 1261 157 158 ILE HA H 2.959 0.03 1 1262 157 158 ILE HB H 0.874 0.03 1 1263 157 158 ILE HG12 H 1.799 0.03 2 1264 157 158 ILE HG13 H 0.402 0.03 2 1265 157 158 ILE HG2 H 0.588 0.03 1 1266 157 158 ILE HD1 H -0.362 0.03 1 1267 157 158 ILE CA C 64.680 0.50 1 1268 157 158 ILE CB C 39.280 0.50 1 1269 157 158 ILE CG1 C 27.770 0.50 1 1270 157 158 ILE CG2 C 16.210 0.50 1 1271 157 158 ILE CD1 C 15.210 0.50 1 1272 157 158 ILE N N 117.647 0.25 1 1273 158 159 PHE H H 5.804 0.03 1 1274 158 159 PHE HA H 3.536 0.03 1 1275 158 159 PHE HB2 H 2.218 0.03 2 1276 158 159 PHE HB3 H 1.774 0.03 2 1277 158 159 PHE CA C 60.180 0.50 1 1278 158 159 PHE CB C 38.210 0.50 1 1279 158 159 PHE N N 114.481 0.25 1 1280 159 160 TYR H H 8.466 0.03 1 1281 159 160 TYR HA H 4.018 0.03 1 1282 159 160 TYR HB2 H 2.890 0.03 2 1283 159 160 TYR CA C 58.140 0.50 1 1284 159 160 TYR CB C 36.350 0.50 1 1285 159 160 TYR N N 117.769 0.25 1 1286 160 161 ASP H H 7.974 0.03 1 1287 160 161 ASP HA H 4.148 0.03 1 1288 160 161 ASP HB2 H 2.565 0.03 2 1289 160 161 ASP HB3 H 2.270 0.03 2 1290 160 161 ASP CA C 58.010 0.50 1 1291 160 161 ASP CB C 41.920 0.50 1 1292 160 161 ASP N N 117.592 0.25 1 1293 161 162 LEU H H 6.811 0.03 1 1294 161 162 LEU HA H 3.725 0.03 1 1295 161 162 LEU HB2 H 1.879 0.03 2 1296 161 162 LEU HB3 H 0.915 0.03 2 1297 161 162 LEU HG H 1.630 0.03 1 1298 161 162 LEU HD1 H 0.458 0.03 2 1299 161 162 LEU CA C 57.880 0.50 1 1300 161 162 LEU CB C 42.710 0.50 1 1301 161 162 LEU CG C 26.950 0.50 1 1302 161 162 LEU CD1 C 24.850 0.50 2 1303 161 162 LEU N N 115.521 0.25 1 1304 162 163 VAL H H 7.378 0.03 1 1305 162 163 VAL HA H 2.942 0.03 1 1306 162 163 VAL HB H 1.929 0.03 1 1307 162 163 VAL HG1 H 0.384 0.03 2 1308 162 163 VAL HG2 H 0.223 0.03 2 1309 162 163 VAL CA C 66.780 0.50 1 1310 162 163 VAL CB C 31.110 0.50 1 1311 162 163 VAL CG1 C 23.260 0.50 2 1312 162 163 VAL CG2 C 20.400 0.50 2 1313 162 163 VAL N N 118.470 0.25 1 1314 163 164 ARG H H 7.787 0.03 1 1315 163 164 ARG HA H 3.766 0.03 1 1316 163 164 ARG CA C 60.130 0.50 1 1317 163 164 ARG CB C 28.960 0.50 1 1318 163 164 ARG N N 117.708 0.25 1 1319 164 165 GLN H H 8.306 0.03 1 1320 164 165 GLN HA H 3.887 0.03 1 1321 164 165 GLN HB2 H 2.124 0.03 2 1322 164 165 GLN CA C 59.280 0.50 1 1323 164 165 GLN CB C 30.750 0.50 1 1324 164 165 GLN N N 117.820 0.25 1 1325 165 166 ILE H H 8.162 0.03 1 1326 165 166 ILE HA H 3.586 0.03 1 1327 165 166 ILE HB H 1.830 0.03 1 1328 165 166 ILE HG2 H 0.959 0.03 1 1329 165 166 ILE HD1 H 0.562 0.03 1 1330 165 166 ILE CA C 64.580 0.50 1 1331 165 166 ILE CB C 38.100 0.50 1 1332 165 166 ILE CG2 C 17.530 0.50 1 1333 165 166 ILE CD1 C 16.130 0.50 1 1334 165 166 ILE N N 121.438 0.25 1 1335 166 167 ASN H H 7.887 0.03 1 1336 166 167 ASN HA H 4.581 0.03 1 1337 166 167 ASN HB2 H 2.913 0.03 2 1338 166 167 ASN HB3 H 2.744 0.03 2 1339 166 167 ASN CA C 53.450 0.50 1 1340 166 167 ASN CB C 38.580 0.50 1 1341 166 167 ASN N N 118.059 0.25 1 1342 167 168 ARG H H 7.245 0.03 1 1343 167 168 ARG HA H 3.884 0.03 1 1344 167 168 ARG HB2 H 1.795 0.03 2 1345 167 168 ARG HG2 H 1.708 0.03 2 1346 167 168 ARG HG3 H 1.640 0.03 2 1347 167 168 ARG HD2 H 3.145 0.03 2 1348 167 168 ARG CA C 58.980 0.50 1 1349 167 168 ARG CB C 30.760 0.50 1 1350 167 168 ARG CG C 27.210 0.50 1 1351 167 168 ARG CD C 43.750 0.50 1 1352 167 168 ARG N N 124.853 0.25 1 stop_ save_