data_18167 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of Cyanobacterial PsbP (CyanoP) from Synechocystis sp. PCC 6803 ; _BMRB_accession_number 18167 _BMRB_flat_file_name bmr18167.str _Entry_type original _Submission_date 2011-12-28 _Accession_date 2011-12-28 _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 Jackson Simon A. . 2 Hinds Mark G. . 3 Eaton-Rye Julian J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 908 "13C chemical shifts" 647 "15N chemical shifts" 177 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-13 update BMRB 'update entry citation' 2012-03-23 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of CyanoP from Synechocystis sp. PCC 6803: new insights on the structural basis for functional specialization amongst PsbP family proteins.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22414666 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jackson Simon A. . 2 Hinds Mark G. . 3 Eaton-Rye Julian J. . stop_ _Journal_abbreviation 'Biochim. Biophys. Acta' _Journal_name_full 'Biochimica et biophysica acta' _Journal_volume 1817 _Journal_issue 8 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1331 _Page_last 1338 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PsbP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PsbP $PsbP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PsbP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 18744.742 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 170 _Mol_residue_sequence ; GPLGSCGGVGIASLQRYSDT KDGYEFLYPNGWIGVDVKGA SPGVDVVFRDLIERDENLSV IISEIPSDKTLTDLGTATDV GYRFMKTVNDASQGDRQAEL INAEARDEDGQVYYTLEYRV LVGDNVERHDLASVTTNRGK LITFDLSTAEDRWDTVKSLF DTVASSFHVY ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 19 GLY 2 20 PRO 3 21 LEU 4 22 GLY 5 23 SER 6 24 CYS 7 25 GLY 8 26 GLY 9 27 VAL 10 28 GLY 11 29 ILE 12 30 ALA 13 31 SER 14 32 LEU 15 33 GLN 16 34 ARG 17 35 TYR 18 36 SER 19 37 ASP 20 38 THR 21 39 LYS 22 40 ASP 23 41 GLY 24 42 TYR 25 43 GLU 26 44 PHE 27 45 LEU 28 46 TYR 29 47 PRO 30 48 ASN 31 49 GLY 32 50 TRP 33 51 ILE 34 52 GLY 35 53 VAL 36 54 ASP 37 55 VAL 38 56 LYS 39 57 GLY 40 58 ALA 41 59 SER 42 60 PRO 43 61 GLY 44 62 VAL 45 63 ASP 46 64 VAL 47 65 VAL 48 66 PHE 49 67 ARG 50 68 ASP 51 69 LEU 52 70 ILE 53 71 GLU 54 72 ARG 55 73 ASP 56 74 GLU 57 75 ASN 58 76 LEU 59 77 SER 60 78 VAL 61 79 ILE 62 80 ILE 63 81 SER 64 82 GLU 65 83 ILE 66 84 PRO 67 85 SER 68 86 ASP 69 87 LYS 70 88 THR 71 89 LEU 72 90 THR 73 91 ASP 74 92 LEU 75 93 GLY 76 94 THR 77 95 ALA 78 96 THR 79 97 ASP 80 98 VAL 81 99 GLY 82 100 TYR 83 101 ARG 84 102 PHE 85 103 MET 86 104 LYS 87 105 THR 88 106 VAL 89 107 ASN 90 108 ASP 91 109 ALA 92 110 SER 93 111 GLN 94 112 GLY 95 113 ASP 96 114 ARG 97 115 GLN 98 116 ALA 99 117 GLU 100 118 LEU 101 119 ILE 102 120 ASN 103 121 ALA 104 122 GLU 105 123 ALA 106 124 ARG 107 125 ASP 108 126 GLU 109 127 ASP 110 128 GLY 111 129 GLN 112 130 VAL 113 131 TYR 114 132 TYR 115 133 THR 116 134 LEU 117 135 GLU 118 136 TYR 119 137 ARG 120 138 VAL 121 139 LEU 122 140 VAL 123 141 GLY 124 142 ASP 125 143 ASN 126 144 VAL 127 145 GLU 128 146 ARG 129 147 HIS 130 148 ASP 131 149 LEU 132 150 ALA 133 151 SER 134 152 VAL 135 153 THR 136 154 THR 137 155 ASN 138 156 ARG 139 157 GLY 140 158 LYS 141 159 LEU 142 160 ILE 143 161 THR 144 162 PHE 145 163 ASP 146 164 LEU 147 165 SER 148 166 THR 149 167 ALA 150 168 GLU 151 169 ASP 152 170 ARG 153 171 TRP 154 172 ASP 155 173 THR 156 174 VAL 157 175 LYS 158 176 SER 159 177 LEU 160 178 PHE 161 179 ASP 162 180 THR 163 181 VAL 164 182 ALA 165 183 SER 166 184 SER 167 185 PHE 168 186 HIS 169 187 VAL 170 188 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LNJ "Solution Structure Of Cyanobacterial Psbp (Cyanop) From Synechocystis Sp. Pcc 6803" 99.41 170 100.00 100.00 1.53e-117 DBJ BAA18019 "sll1418 [Synechocystis sp. PCC 6803]" 98.82 188 98.81 99.40 6.26e-116 DBJ BAK50191 "hypothetical protein SYNGTS_1443 [Synechocystis sp. PCC 6803]" 98.82 188 98.81 99.40 6.26e-116 DBJ BAL29190 "hypothetical protein SYNGTI_1443 [Synechocystis sp. PCC 6803 substr. GT-I]" 98.82 188 98.81 99.40 6.26e-116 DBJ BAL32359 "hypothetical protein SYNPCCN_1442 [Synechocystis sp. PCC 6803 substr. PCC-N]" 98.82 188 98.81 99.40 6.26e-116 DBJ BAL35528 "hypothetical protein SYNPCCP_1442 [Synechocystis sp. PCC 6803 substr. PCC-P]" 98.82 188 98.81 99.40 6.26e-116 GB AGF51707 "hypothetical protein MYO_114560 [Synechocystis sp. PCC 6803]" 98.82 188 98.81 99.40 6.26e-116 GB ALJ67700 "PsbP [Synechocystis sp. PCC 6803]" 98.82 188 98.81 99.40 6.26e-116 REF WP_010872644 "hypothetical protein [Synechocystis sp. PCC 6803]" 98.82 188 98.81 99.40 6.26e-116 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $PsbP 'Synechocystis sp.' 1143 Bacteria . Synechocystis sp. 'PCC 6803' psbP stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $PsbP 'recombinant technology' . Escherichia coli BL21 DE3 pGEX-6P-3 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PsbP 0.4 mM '[U-100% 15N]' TCEP 5 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PsbP 0.4 mM '[U-100% 13C; U-100% 15N]' TCEP 5 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CCPNMR-Analysis_v2.1 _Saveframe_category software _Name ANALYSIS _Version . loop_ _Vendor _Address _Electronic_address CCPN . ccpn@mole.bio.cam.ac.uk stop_ loop_ _Task 'data analysis' stop_ _Details 'CCPNMR-Analysis v2.1' save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-13C_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.7 . pH pressure 1 . atm temperature 298.15 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name PsbP _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 20 2 PRO HA H 4.472 0.020 1 2 20 2 PRO HB2 H 1.949 0.020 2 3 20 2 PRO HB3 H 2.313 0.020 2 4 20 2 PRO HG2 H 2.012 0.020 2 5 20 2 PRO HG3 H 2.014 0.020 2 6 20 2 PRO HD3 H 3.579 0.020 2 7 20 2 PRO C C 177.006 0.400 1 8 20 2 PRO CA C 63.040 0.400 1 9 20 2 PRO CB C 32.064 0.400 1 10 20 2 PRO CG C 26.896 0.400 1 11 20 2 PRO CD C 49.530 0.400 1 12 21 3 LEU H H 8.551 0.020 1 13 21 3 LEU HA H 4.341 0.020 1 14 21 3 LEU HB2 H 1.663 0.020 2 15 21 3 LEU HB3 H 1.596 0.020 2 16 21 3 LEU HD1 H 0.885 0.020 2 17 21 3 LEU HD2 H 0.927 0.020 2 18 21 3 LEU C C 177.928 0.400 1 19 21 3 LEU CA C 55.318 0.400 1 20 21 3 LEU CB C 42.266 0.400 1 21 21 3 LEU CG C 26.870 0.400 1 22 21 3 LEU CD1 C 23.383 0.400 1 23 21 3 LEU CD2 C 24.519 0.400 1 24 21 3 LEU N N 122.423 0.400 1 25 22 4 GLY H H 8.423 0.020 1 26 22 4 GLY HA2 H 3.966 0.020 2 27 22 4 GLY HA3 H 4.000 0.020 2 28 22 4 GLY C C 174.309 0.400 1 29 22 4 GLY CA C 45.230 0.400 1 30 22 4 GLY N N 109.759 0.400 1 31 23 5 SER H H 8.233 0.020 1 32 23 5 SER HA H 4.488 0.020 1 33 23 5 SER HB2 H 3.867 0.012 2 34 23 5 SER HB3 H 3.867 0.012 2 35 23 5 SER C C 174.841 0.400 1 36 23 5 SER CA C 58.329 0.400 1 37 23 5 SER CB C 63.957 0.400 1 38 23 5 SER N N 115.538 0.400 1 39 24 6 CYS H H 8.493 0.020 1 40 24 6 CYS HA H 4.542 0.020 1 41 24 6 CYS HB2 H 2.949 0.003 2 42 24 6 CYS HB3 H 2.949 0.003 2 43 24 6 CYS C C 175.079 0.400 1 44 24 6 CYS CA C 58.717 0.400 1 45 24 6 CYS CB C 27.969 0.400 1 46 24 6 CYS N N 120.699 0.400 1 47 25 7 GLY H H 8.449 0.020 1 48 25 7 GLY HA2 H 3.961 0.000 2 49 25 7 GLY HA3 H 3.961 0.000 2 50 25 7 GLY C C 174.402 0.400 1 51 25 7 GLY CA C 45.478 0.400 1 52 25 7 GLY N N 110.895 0.400 1 53 26 8 GLY H H 8.236 0.020 1 54 26 8 GLY HA2 H 3.960 0.000 2 55 26 8 GLY HA3 H 3.960 0.000 2 56 26 8 GLY C C 174.113 0.400 1 57 26 8 GLY CA C 45.180 0.400 1 58 26 8 GLY N N 108.733 0.400 1 59 27 9 VAL H H 8.019 0.020 1 60 27 9 VAL HA H 4.124 0.020 1 61 27 9 VAL HB H 2.087 0.020 1 62 27 9 VAL HG1 H 0.919 0.002 2 63 27 9 VAL HG2 H 0.919 0.002 2 64 27 9 VAL C C 176.630 0.400 1 65 27 9 VAL CA C 62.385 0.400 1 66 27 9 VAL CB C 32.521 0.400 1 67 27 9 VAL CG1 C 20.607 0.400 1 68 27 9 VAL CG2 C 20.621 0.400 1 69 27 9 VAL N N 118.903 0.400 1 70 28 10 GLY H H 8.483 0.020 1 71 28 10 GLY HA2 H 3.930 0.020 2 72 28 10 GLY HA3 H 3.945 0.020 2 73 28 10 GLY C C 174.378 0.400 1 74 28 10 GLY CA C 45.346 0.400 1 75 28 10 GLY N N 112.317 0.400 1 76 29 11 ILE H H 7.948 0.020 1 77 29 11 ILE HA H 4.081 0.020 1 78 29 11 ILE HB H 1.838 0.020 1 79 29 11 ILE HG12 H 1.387 0.020 2 80 29 11 ILE HG13 H 1.149 0.020 2 81 29 11 ILE HG2 H 0.872 0.020 1 82 29 11 ILE HD1 H 0.813 0.020 1 83 29 11 ILE C C 176.168 0.400 1 84 29 11 ILE CA C 61.412 0.400 1 85 29 11 ILE CB C 38.557 0.400 1 86 29 11 ILE CG1 C 27.031 0.400 1 87 29 11 ILE CG2 C 17.343 0.400 1 88 29 11 ILE CD1 C 13.069 0.400 1 89 29 11 ILE N N 119.788 0.400 1 90 30 12 ALA H H 8.247 0.020 1 91 30 12 ALA HA H 4.288 0.020 1 92 30 12 ALA HB H 1.361 0.020 1 93 30 12 ALA C C 177.504 0.400 1 94 30 12 ALA CA C 52.865 0.400 1 95 30 12 ALA CB C 18.966 0.400 1 96 30 12 ALA N N 126.009 0.400 1 97 31 13 SER H H 8.045 0.020 1 98 31 13 SER HA H 4.392 0.020 1 99 31 13 SER HB2 H 3.844 0.003 2 100 31 13 SER HB3 H 3.844 0.003 2 101 31 13 SER C C 173.644 0.400 1 102 31 13 SER CA C 58.329 0.400 1 103 31 13 SER CB C 63.609 0.400 1 104 31 13 SER N N 113.949 0.400 1 105 32 14 LEU H H 7.749 0.020 1 106 32 14 LEU HA H 4.545 0.020 1 107 32 14 LEU HB2 H 1.274 0.020 2 108 32 14 LEU HB3 H 1.544 0.020 2 109 32 14 LEU HG H 1.501 0.020 1 110 32 14 LEU HD1 H 0.670 0.020 2 111 32 14 LEU HD2 H 0.381 0.020 2 112 32 14 LEU C C 176.001 0.400 1 113 32 14 LEU CA C 53.877 0.400 1 114 32 14 LEU CB C 44.245 0.400 1 115 32 14 LEU CG C 26.603 0.400 1 116 32 14 LEU CD1 C 25.870 0.400 1 117 32 14 LEU CD2 C 22.778 0.400 1 118 32 14 LEU N N 122.240 0.400 1 119 33 15 GLN H H 8.780 0.020 1 120 33 15 GLN HA H 4.382 0.020 1 121 33 15 GLN HB2 H 1.048 0.020 2 122 33 15 GLN HB3 H 1.515 0.020 2 123 33 15 GLN HG2 H 1.877 0.020 2 124 33 15 GLN HG3 H 1.877 0.020 2 125 33 15 GLN HE21 H 6.944 0.020 2 126 33 15 GLN HE22 H 7.044 0.020 2 127 33 15 GLN C C 172.944 0.400 1 128 33 15 GLN CA C 53.461 0.400 1 129 33 15 GLN CB C 30.743 0.400 1 130 33 15 GLN CG C 33.145 0.400 1 131 33 15 GLN CD C 180.334 0.400 1 132 33 15 GLN N N 120.685 0.400 1 133 33 15 GLN NE2 N 113.360 0.400 1 134 34 16 ARG H H 8.274 0.020 1 135 34 16 ARG HA H 4.904 0.020 1 136 34 16 ARG HB2 H 1.674 0.020 2 137 34 16 ARG HB3 H 1.520 0.020 2 138 34 16 ARG C C 175.846 0.400 1 139 34 16 ARG CA C 55.701 0.400 1 140 34 16 ARG CB C 32.742 0.400 1 141 34 16 ARG CG C 27.376 0.400 1 142 34 16 ARG N N 120.341 0.400 1 143 35 17 TYR H H 9.104 0.020 1 144 35 17 TYR HA H 4.558 0.020 1 145 35 17 TYR HB2 H 1.368 0.020 2 146 35 17 TYR HB3 H 2.422 0.020 2 147 35 17 TYR HD1 H 2.576 0.010 1 148 35 17 TYR HD2 H 2.576 0.010 1 149 35 17 TYR HE1 H 6.270 0.000 1 150 35 17 TYR HE2 H 6.270 0.000 1 151 35 17 TYR C C 173.307 0.400 1 152 35 17 TYR CA C 57.733 0.400 1 153 35 17 TYR CB C 41.583 0.400 1 154 35 17 TYR N N 128.733 0.400 1 155 36 18 SER H H 7.398 0.020 1 156 36 18 SER HA H 4.786 0.020 1 157 36 18 SER HB2 H 3.485 0.020 2 158 36 18 SER HB3 H 3.496 0.020 2 159 36 18 SER C C 172.002 0.400 1 160 36 18 SER CA C 56.341 0.400 1 161 36 18 SER CB C 65.327 0.400 1 162 36 18 SER N N 119.150 0.400 1 163 37 19 ASP H H 8.607 0.020 1 164 37 19 ASP HA H 4.671 0.020 1 165 37 19 ASP HB2 H 2.019 0.020 2 166 37 19 ASP HB3 H 1.824 0.020 2 167 37 19 ASP C C 176.089 0.400 1 168 37 19 ASP CA C 52.809 0.400 1 169 37 19 ASP CB C 42.465 0.400 1 170 37 19 ASP N N 124.935 0.400 1 171 38 20 THR H H 8.470 0.020 1 172 38 20 THR HA H 4.316 0.020 1 173 38 20 THR HB H 4.318 0.020 1 174 38 20 THR HG2 H 1.238 0.020 1 175 38 20 THR C C 175.794 0.400 1 176 38 20 THR CA C 63.123 0.400 1 177 38 20 THR CB C 68.905 0.400 1 178 38 20 THR CG2 C 21.583 0.400 1 179 38 20 THR N N 117.032 0.400 1 180 39 21 LYS H H 8.201 0.020 1 181 39 21 LYS HA H 4.189 0.020 1 182 39 21 LYS HB2 H 2.002 0.020 2 183 39 21 LYS HB3 H 1.880 0.020 2 184 39 21 LYS HG2 H 1.417 0.020 2 185 39 21 LYS HG3 H 1.506 0.020 2 186 39 21 LYS HD2 H 1.731 0.004 2 187 39 21 LYS HD3 H 1.731 0.004 2 188 39 21 LYS HE2 H 3.053 0.014 2 189 39 21 LYS HE3 H 3.053 0.014 2 190 39 21 LYS C C 177.678 0.400 1 191 39 21 LYS CA C 58.795 0.400 1 192 39 21 LYS CB C 31.668 0.400 1 193 39 21 LYS CG C 24.099 0.400 1 194 39 21 LYS CD C 28.730 0.400 1 195 39 21 LYS CE C 41.847 0.400 1 196 39 21 LYS N N 124.893 0.400 1 197 40 22 ASP H H 8.480 0.020 1 198 40 22 ASP HA H 4.821 0.020 1 199 40 22 ASP HB2 H 2.808 0.020 2 200 40 22 ASP HB3 H 2.465 0.020 2 201 40 22 ASP C C 176.752 0.400 1 202 40 22 ASP CA C 54.879 0.400 1 203 40 22 ASP CB C 41.869 0.400 1 204 40 22 ASP N N 118.183 0.400 1 205 41 23 GLY H H 7.421 0.020 1 206 41 23 GLY HA2 H 3.379 0.020 2 207 41 23 GLY HA3 H 3.093 0.020 2 208 41 23 GLY C C 172.396 0.400 1 209 41 23 GLY CA C 47.116 0.400 1 210 41 23 GLY N N 108.978 0.400 1 211 42 24 TYR H H 7.506 0.020 1 212 42 24 TYR HA H 5.394 0.020 1 213 42 24 TYR HB2 H 2.825 0.020 2 214 42 24 TYR HB3 H 2.974 0.020 2 215 42 24 TYR HD1 H 6.872 0.004 1 216 42 24 TYR HD2 H 6.872 0.004 1 217 42 24 TYR HE1 H 7.018 0.002 1 218 42 24 TYR HE2 H 7.018 0.002 1 219 42 24 TYR C C 173.028 0.400 1 220 42 24 TYR CA C 55.832 0.400 1 221 42 24 TYR CB C 41.854 0.400 1 222 42 24 TYR N N 112.046 0.400 1 223 43 25 GLU H H 8.934 0.020 1 224 43 25 GLU HA H 5.468 0.020 1 225 43 25 GLU HB2 H 2.160 0.020 2 226 43 25 GLU HB3 H 2.180 0.020 2 227 43 25 GLU HG2 H 2.246 0.020 2 228 43 25 GLU HG3 H 2.387 0.020 2 229 43 25 GLU C C 173.311 0.400 1 230 43 25 GLU CA C 54.231 0.400 1 231 43 25 GLU CB C 33.625 0.400 1 232 43 25 GLU CG C 35.240 0.400 1 233 43 25 GLU N N 117.470 0.400 1 234 44 26 PHE H H 8.532 0.020 1 235 44 26 PHE HA H 4.842 0.020 1 236 44 26 PHE HB2 H 3.183 0.020 2 237 44 26 PHE HB3 H 3.025 0.020 2 238 44 26 PHE HD1 H 7.069 0.008 1 239 44 26 PHE HD2 H 7.069 0.008 1 240 44 26 PHE HE1 H 6.648 0.002 1 241 44 26 PHE HE2 H 6.648 0.002 1 242 44 26 PHE C C 172.776 0.400 1 243 44 26 PHE CA C 56.616 0.400 1 244 44 26 PHE CB C 40.449 0.400 1 245 44 26 PHE N N 112.795 0.400 1 246 45 27 LEU H H 9.241 0.020 1 247 45 27 LEU HA H 5.520 0.020 1 248 45 27 LEU HB2 H 1.644 0.020 2 249 45 27 LEU HB3 H 1.320 0.020 2 250 45 27 LEU HD1 H 0.823 0.020 2 251 45 27 LEU HD2 H 0.647 0.020 2 252 45 27 LEU C C 174.965 0.400 1 253 45 27 LEU CA C 52.774 0.400 1 254 45 27 LEU CB C 44.650 0.400 1 255 45 27 LEU CD1 C 25.589 0.400 1 256 45 27 LEU CD2 C 22.563 0.400 1 257 45 27 LEU N N 119.784 0.400 1 258 46 28 TYR H H 8.951 0.020 1 259 46 28 TYR HA H 4.913 0.020 1 260 46 28 TYR HB2 H 2.506 0.020 2 261 46 28 TYR HB3 H 2.832 0.020 2 262 46 28 TYR HD1 H 6.735 0.002 1 263 46 28 TYR HD2 H 6.735 0.002 1 264 46 28 TYR HE1 H 6.270 0.000 1 265 46 28 TYR HE2 H 6.270 0.000 1 266 46 28 TYR C C 171.354 0.400 1 267 46 28 TYR CA C 54.757 0.400 1 268 46 28 TYR CB C 38.147 0.400 1 269 46 28 TYR N N 113.008 0.400 1 270 47 29 PRO HA H 4.007 0.020 1 271 47 29 PRO HB2 H 0.737 0.020 2 272 47 29 PRO HB3 H 1.984 0.020 2 273 47 29 PRO C C 176.165 0.400 1 274 47 29 PRO CA C 63.318 0.400 1 275 47 29 PRO CB C 31.340 0.400 1 276 48 30 ASN H H 8.163 0.020 1 277 48 30 ASN HA H 4.263 0.020 1 278 48 30 ASN HB2 H 2.678 0.020 2 279 48 30 ASN HB3 H 2.577 0.020 2 280 48 30 ASN HD21 H 6.816 0.020 2 281 48 30 ASN HD22 H 7.516 0.020 2 282 48 30 ASN C C 176.347 0.400 1 283 48 30 ASN CA C 55.201 0.400 1 284 48 30 ASN CB C 38.588 0.400 1 285 48 30 ASN N N 119.923 0.400 1 286 48 30 ASN ND2 N 111.963 0.400 1 287 49 31 GLY H H 8.702 0.020 1 288 49 31 GLY HA2 H 3.984 0.004 2 289 49 31 GLY HA3 H 3.984 0.004 2 290 49 31 GLY C C 174.985 0.400 1 291 49 31 GLY CA C 45.392 0.400 1 292 49 31 GLY N N 111.442 0.400 1 293 50 32 TRP H H 8.008 0.020 1 294 50 32 TRP HA H 5.342 0.020 1 295 50 32 TRP HB2 H 3.569 0.020 2 296 50 32 TRP HB3 H 3.219 0.020 2 297 50 32 TRP HD1 H 7.288 0.020 1 298 50 32 TRP HE1 H 10.649 0.020 1 299 50 32 TRP HE3 H 7.375 0.020 1 300 50 32 TRP HZ2 H 7.678 0.020 1 301 50 32 TRP HZ3 H 7.234 0.020 1 302 50 32 TRP HH2 H 6.962 0.020 1 303 50 32 TRP C C 176.370 0.400 1 304 50 32 TRP CA C 57.293 0.400 1 305 50 32 TRP CB C 30.104 0.400 1 306 50 32 TRP N N 122.100 0.400 1 307 50 32 TRP NE1 N 130.055 0.400 1 308 51 33 ILE H H 9.249 0.020 1 309 51 33 ILE HA H 4.955 0.020 1 310 51 33 ILE HB H 1.995 0.020 1 311 51 33 ILE HG12 H 1.591 0.020 2 312 51 33 ILE HG13 H 1.253 0.020 2 313 51 33 ILE HG2 H 1.075 0.020 1 314 51 33 ILE HD1 H 0.930 0.020 1 315 51 33 ILE C C 175.549 0.400 1 316 51 33 ILE CA C 59.228 0.400 1 317 51 33 ILE CB C 42.089 0.400 1 318 51 33 ILE CG1 C 26.431 0.400 1 319 51 33 ILE CG2 C 18.072 0.400 1 320 51 33 ILE CD1 C 13.476 0.400 1 321 51 33 ILE N N 117.163 0.400 1 322 52 34 GLY H H 8.787 0.020 1 323 52 34 GLY HA2 H 3.948 0.020 2 324 52 34 GLY HA3 H 3.222 0.020 2 325 52 34 GLY C C 173.956 0.400 1 326 52 34 GLY CA C 45.404 0.400 1 327 52 34 GLY N N 111.812 0.400 1 328 53 35 VAL H H 7.763 0.020 1 329 53 35 VAL HA H 4.144 0.020 1 330 53 35 VAL HB H 1.740 0.020 1 331 53 35 VAL HG1 H 0.745 0.020 2 332 53 35 VAL HG2 H 0.801 0.020 2 333 53 35 VAL C C 174.921 0.400 1 334 53 35 VAL CA C 60.657 0.400 1 335 53 35 VAL CB C 34.040 0.400 1 336 53 35 VAL CG1 C 20.673 0.400 1 337 53 35 VAL CG2 C 20.727 0.400 1 338 53 35 VAL N N 122.174 0.400 1 339 54 36 ASP H H 8.425 0.020 1 340 54 36 ASP HA H 4.589 0.020 1 341 54 36 ASP HB2 H 2.727 0.020 2 342 54 36 ASP HB3 H 2.626 0.020 2 343 54 36 ASP C C 176.890 0.400 1 344 54 36 ASP CA C 54.450 0.400 1 345 54 36 ASP CB C 41.173 0.400 1 346 54 36 ASP N N 125.424 0.400 1 347 55 37 VAL H H 8.215 0.020 1 348 55 37 VAL HA H 4.168 0.020 1 349 55 37 VAL HB H 2.296 0.020 1 350 55 37 VAL HG1 H 0.857 0.016 2 351 55 37 VAL HG2 H 0.857 0.016 2 352 55 37 VAL C C 176.785 0.400 1 353 55 37 VAL CA C 61.919 0.400 1 354 55 37 VAL CB C 31.790 0.400 1 355 55 37 VAL CG1 C 19.023 0.400 1 356 55 37 VAL CG2 C 21.361 0.400 1 357 55 37 VAL N N 120.335 0.400 1 358 56 38 LYS H H 8.331 0.020 1 359 56 38 LYS HA H 4.202 0.020 1 360 56 38 LYS HB2 H 1.821 0.020 2 361 56 38 LYS HB3 H 1.881 0.020 2 362 56 38 LYS HG2 H 1.438 0.020 2 363 56 38 LYS HG3 H 1.517 0.020 2 364 56 38 LYS HD2 H 1.736 0.002 2 365 56 38 LYS HD3 H 1.736 0.002 2 366 56 38 LYS HE2 H 3.035 0.004 2 367 56 38 LYS HE3 H 3.035 0.004 2 368 56 38 LYS C C 177.828 0.400 1 369 56 38 LYS CA C 58.003 0.400 1 370 56 38 LYS CB C 31.637 0.400 1 371 56 38 LYS CG C 24.621 0.400 1 372 56 38 LYS CD C 28.883 0.400 1 373 56 38 LYS CE C 41.946 0.400 1 374 56 38 LYS N N 124.881 0.400 1 375 57 39 GLY H H 8.651 0.020 1 376 57 39 GLY HA2 H 3.960 0.001 2 377 57 39 GLY HA3 H 3.960 0.001 2 378 57 39 GLY C C 174.253 0.400 1 379 57 39 GLY CA C 45.360 0.400 1 380 57 39 GLY N N 111.152 0.400 1 381 58 40 ALA H H 7.839 0.020 1 382 58 40 ALA HA H 4.383 0.020 1 383 58 40 ALA HB H 1.448 0.020 1 384 58 40 ALA C C 177.125 0.400 1 385 58 40 ALA CA C 52.354 0.400 1 386 58 40 ALA CB C 19.617 0.400 1 387 58 40 ALA N N 123.085 0.400 1 388 59 41 SER H H 8.186 0.020 1 389 59 41 SER HA H 4.688 0.020 1 390 59 41 SER HB2 H 3.887 0.020 2 391 59 41 SER HB3 H 3.727 0.020 2 392 59 41 SER C C 171.885 0.400 1 393 59 41 SER CA C 56.951 0.400 1 394 59 41 SER CB C 63.123 0.400 1 395 59 41 SER N N 115.088 0.400 1 396 60 42 PRO HA H 4.349 0.020 1 397 60 42 PRO HB2 H 1.927 0.020 2 398 60 42 PRO HB3 H 2.321 0.020 2 399 60 42 PRO HG2 H 2.033 0.020 2 400 60 42 PRO HG3 H 2.122 0.020 2 401 60 42 PRO HD2 H 3.855 0.020 2 402 60 42 PRO HD3 H 3.697 0.020 2 403 60 42 PRO C C 177.660 0.400 1 404 60 42 PRO CA C 64.225 0.400 1 405 60 42 PRO CB C 31.541 0.400 1 406 60 42 PRO CG C 27.359 0.400 1 407 60 42 PRO CD C 50.562 0.400 1 408 61 43 GLY H H 8.730 0.020 1 409 61 43 GLY HA2 H 4.267 0.020 2 410 61 43 GLY HA3 H 3.847 0.020 2 411 61 43 GLY C C 174.070 0.400 1 412 61 43 GLY CA C 45.614 0.400 1 413 61 43 GLY N N 111.997 0.400 1 414 62 44 VAL H H 7.573 0.020 1 415 62 44 VAL HA H 4.277 0.020 1 416 62 44 VAL HB H 2.073 0.020 1 417 62 44 VAL HG1 H 0.823 0.020 2 418 62 44 VAL HG2 H 0.867 0.020 2 419 62 44 VAL C C 175.277 0.400 1 420 62 44 VAL CA C 62.927 0.400 1 421 62 44 VAL CB C 31.555 0.400 1 422 62 44 VAL CG1 C 21.644 0.400 1 423 62 44 VAL CG2 C 21.644 0.400 1 424 62 44 VAL N N 120.539 0.400 1 425 63 45 ASP H H 9.084 0.020 1 426 63 45 ASP HA H 4.907 0.020 1 427 63 45 ASP HB2 H 2.539 0.020 2 428 63 45 ASP HB3 H 2.707 0.020 2 429 63 45 ASP C C 176.177 0.400 1 430 63 45 ASP CA C 55.855 0.400 1 431 63 45 ASP CB C 44.275 0.400 1 432 63 45 ASP N N 128.619 0.400 1 433 64 46 VAL H H 7.314 0.020 1 434 64 46 VAL HA H 4.310 0.020 1 435 64 46 VAL HB H 1.983 0.020 1 436 64 46 VAL HG1 H 0.834 0.020 2 437 64 46 VAL HG2 H 0.968 0.020 2 438 64 46 VAL C C 172.853 0.400 1 439 64 46 VAL CA C 61.171 0.400 1 440 64 46 VAL CB C 35.908 0.400 1 441 64 46 VAL CG2 C 21.544 0.400 1 442 64 46 VAL N N 115.687 0.400 1 443 65 47 VAL H H 8.146 0.020 1 444 65 47 VAL HA H 5.056 0.020 1 445 65 47 VAL HB H 1.672 0.020 1 446 65 47 VAL HG1 H 0.848 0.020 2 447 65 47 VAL HG2 H 0.763 0.020 2 448 65 47 VAL C C 175.266 0.400 1 449 65 47 VAL CA C 61.082 0.400 1 450 65 47 VAL CB C 36.667 0.400 1 451 65 47 VAL CG1 C 22.174 0.400 1 452 65 47 VAL CG2 C 20.451 0.400 1 453 65 47 VAL N N 124.933 0.400 1 454 66 48 PHE H H 8.469 0.020 1 455 66 48 PHE HA H 5.491 0.020 1 456 66 48 PHE HB2 H 2.826 0.020 2 457 66 48 PHE HB3 H 2.983 0.020 2 458 66 48 PHE HD1 H 6.921 0.001 1 459 66 48 PHE HD2 H 6.921 0.001 1 460 66 48 PHE C C 174.371 0.400 1 461 66 48 PHE CA C 56.529 0.400 1 462 66 48 PHE CB C 44.159 0.400 1 463 66 48 PHE N N 122.916 0.400 1 464 67 49 ARG H H 9.271 0.020 1 465 67 49 ARG HA H 4.505 0.020 1 466 67 49 ARG HB2 H 1.521 0.020 2 467 67 49 ARG HB3 H 1.635 0.020 2 468 67 49 ARG HG2 H 1.318 0.004 2 469 67 49 ARG HG3 H 1.318 0.004 2 470 67 49 ARG HD2 H 3.041 0.007 2 471 67 49 ARG HD3 H 3.041 0.007 2 472 67 49 ARG C C 173.455 0.400 1 473 67 49 ARG CA C 53.834 0.400 1 474 67 49 ARG CB C 34.898 0.400 1 475 67 49 ARG CD C 43.248 0.400 1 476 67 49 ARG N N 116.381 0.400 1 477 68 50 ASP H H 7.165 0.020 1 478 68 50 ASP HA H 4.051 0.020 1 479 68 50 ASP HB2 H 1.943 0.020 2 480 68 50 ASP HB3 H 2.762 0.020 2 481 68 50 ASP C C 176.670 0.400 1 482 68 50 ASP CA C 54.616 0.400 1 483 68 50 ASP CB C 42.901 0.400 1 484 68 50 ASP N N 121.066 0.400 1 485 69 51 LEU H H 8.314 0.020 1 486 69 51 LEU HA H 4.025 0.020 1 487 69 51 LEU HB2 H 1.683 0.020 2 488 69 51 LEU HB3 H 1.812 0.020 2 489 69 51 LEU HD1 H 1.020 0.020 2 490 69 51 LEU HD2 H 0.967 0.020 2 491 69 51 LEU C C 177.463 0.400 1 492 69 51 LEU CA C 57.408 0.400 1 493 69 51 LEU CB C 43.149 0.400 1 494 69 51 LEU CD1 C 24.396 0.400 1 495 69 51 LEU CD2 C 24.396 0.400 1 496 69 51 LEU N N 124.078 0.400 1 497 70 52 ILE H H 8.178 0.020 1 498 70 52 ILE HA H 4.073 0.020 1 499 70 52 ILE HB H 2.040 0.020 1 500 70 52 ILE HG12 H 1.521 0.020 2 501 70 52 ILE HG13 H 1.282 0.020 2 502 70 52 ILE HG2 H 0.891 0.020 1 503 70 52 ILE HD1 H 0.886 0.020 1 504 70 52 ILE C C 177.093 0.400 1 505 70 52 ILE CA C 61.858 0.400 1 506 70 52 ILE CB C 38.620 0.400 1 507 70 52 ILE CG1 C 27.317 0.400 1 508 70 52 ILE CG2 C 17.334 0.400 1 509 70 52 ILE CD1 C 11.436 0.400 1 510 70 52 ILE N N 118.341 0.400 1 511 71 53 GLU H H 8.974 0.020 1 512 71 53 GLU HA H 4.384 0.020 1 513 71 53 GLU HB2 H 2.035 0.020 2 514 71 53 GLU HB3 H 1.800 0.020 2 515 71 53 GLU HG2 H 2.238 0.020 2 516 71 53 GLU HG3 H 2.213 0.020 2 517 71 53 GLU C C 176.084 0.400 1 518 71 53 GLU CA C 54.808 0.400 1 519 71 53 GLU CB C 28.758 0.400 1 520 71 53 GLU CG C 34.501 0.400 1 521 71 53 GLU N N 122.254 0.400 1 522 72 54 ARG H H 8.052 0.020 1 523 72 54 ARG HA H 3.982 0.020 1 524 72 54 ARG HB2 H 1.774 0.005 2 525 72 54 ARG HB3 H 1.774 0.005 2 526 72 54 ARG HG2 H 1.575 0.004 2 527 72 54 ARG HG3 H 1.575 0.004 2 528 72 54 ARG HD2 H 3.168 0.009 2 529 72 54 ARG HD3 H 3.168 0.009 2 530 72 54 ARG C C 176.478 0.400 1 531 72 54 ARG CA C 58.240 0.400 1 532 72 54 ARG CB C 29.964 0.400 1 533 72 54 ARG CG C 26.805 0.400 1 534 72 54 ARG CD C 43.180 0.400 1 535 72 54 ARG N N 121.414 0.400 1 536 73 55 ASP H H 8.455 0.020 1 537 73 55 ASP HA H 4.451 0.020 1 538 73 55 ASP HB2 H 2.587 0.020 2 539 73 55 ASP HB3 H 2.724 0.020 2 540 73 55 ASP C C 173.783 0.400 1 541 73 55 ASP CA C 55.074 0.400 1 542 73 55 ASP CB C 40.742 0.400 1 543 73 55 ASP N N 117.425 0.400 1 544 74 56 GLU H H 7.773 0.020 1 545 74 56 GLU HA H 5.499 0.020 1 546 74 56 GLU HB2 H 1.936 0.010 2 547 74 56 GLU HB3 H 1.936 0.010 2 548 74 56 GLU HG2 H 2.512 0.006 2 549 74 56 GLU HG3 H 2.512 0.006 2 550 74 56 GLU C C 174.110 0.400 1 551 74 56 GLU CA C 56.478 0.400 1 552 74 56 GLU CB C 32.446 0.400 1 553 74 56 GLU CG C 38.297 0.400 1 554 74 56 GLU N N 124.050 0.400 1 555 75 57 ASN H H 8.891 0.020 1 556 75 57 ASN HA H 4.763 0.020 1 557 75 57 ASN HB2 H 2.538 0.020 2 558 75 57 ASN HB3 H 2.697 0.020 2 559 75 57 ASN HD21 H 6.743 0.020 2 560 75 57 ASN HD22 H 6.968 0.020 2 561 75 57 ASN C C 171.893 0.400 1 562 75 57 ASN CA C 52.963 0.400 1 563 75 57 ASN CB C 42.369 0.400 1 564 75 57 ASN N N 119.794 0.400 1 565 75 57 ASN ND2 N 114.565 0.400 1 566 76 58 LEU H H 9.166 0.020 1 567 76 58 LEU HA H 5.341 0.020 1 568 76 58 LEU HB2 H 1.656 0.020 2 569 76 58 LEU HB3 H 1.094 0.020 2 570 76 58 LEU HD1 H 0.546 0.020 2 571 76 58 LEU HD2 H 0.694 0.020 2 572 76 58 LEU C C 174.630 0.400 1 573 76 58 LEU CA C 52.828 0.400 1 574 76 58 LEU CB C 45.879 0.400 1 575 76 58 LEU CD1 C 24.150 0.400 1 576 76 58 LEU CD2 C 26.720 0.400 1 577 76 58 LEU N N 116.438 0.400 1 578 77 59 SER H H 8.352 0.020 1 579 77 59 SER HA H 5.432 0.020 1 580 77 59 SER HB2 H 3.607 0.020 2 581 77 59 SER HB3 H 3.780 0.020 2 582 77 59 SER C C 172.602 0.400 1 583 77 59 SER CA C 56.593 0.400 1 584 77 59 SER CB C 66.720 0.400 1 585 77 59 SER N N 114.543 0.400 1 586 78 60 VAL H H 8.306 0.020 1 587 78 60 VAL HA H 4.969 0.020 1 588 78 60 VAL HB H 1.971 0.020 1 589 78 60 VAL HG1 H 0.828 0.020 2 590 78 60 VAL HG2 H 0.549 0.020 2 591 78 60 VAL C C 174.861 0.400 1 592 78 60 VAL CA C 61.184 0.400 1 593 78 60 VAL CB C 33.312 0.400 1 594 78 60 VAL CG1 C 21.959 0.400 1 595 78 60 VAL CG2 C 20.698 0.400 1 596 78 60 VAL N N 122.017 0.400 1 597 79 61 ILE H H 9.193 0.020 1 598 79 61 ILE HA H 4.721 0.020 1 599 79 61 ILE HB H 1.623 0.020 1 600 79 61 ILE HG12 H 1.447 0.020 2 601 79 61 ILE HG13 H 1.043 0.020 2 602 79 61 ILE HG2 H 0.853 0.020 1 603 79 61 ILE HD1 H 0.879 0.020 1 604 79 61 ILE C C 175.639 0.400 1 605 79 61 ILE CA C 60.244 0.400 1 606 79 61 ILE CB C 41.286 0.400 1 607 79 61 ILE CG1 C 28.469 0.400 1 608 79 61 ILE CG2 C 18.406 0.400 1 609 79 61 ILE CD1 C 14.413 0.400 1 610 79 61 ILE N N 128.458 0.400 1 611 80 62 ILE H H 9.140 0.020 1 612 80 62 ILE HA H 5.042 0.020 1 613 80 62 ILE HB H 1.854 0.020 1 614 80 62 ILE HG12 H 1.113 0.020 2 615 80 62 ILE HG13 H 1.589 0.020 2 616 80 62 ILE HG2 H 0.886 0.020 1 617 80 62 ILE HD1 H 0.916 0.020 1 618 80 62 ILE C C 175.727 0.400 1 619 80 62 ILE CA C 60.158 0.400 1 620 80 62 ILE CB C 39.777 0.400 1 621 80 62 ILE CG1 C 28.229 0.400 1 622 80 62 ILE CG2 C 18.105 0.400 1 623 80 62 ILE CD1 C 13.144 0.400 1 624 80 62 ILE N N 129.957 0.400 1 625 81 63 SER H H 9.079 0.020 1 626 81 63 SER HA H 4.878 0.020 1 627 81 63 SER HB2 H 3.824 0.020 2 628 81 63 SER HB3 H 3.876 0.020 2 629 81 63 SER C C 172.933 0.400 1 630 81 63 SER CA C 56.689 0.400 1 631 81 63 SER CB C 65.862 0.400 1 632 81 63 SER N N 122.084 0.400 1 633 82 64 GLU H H 8.664 0.020 1 634 82 64 GLU HA H 4.592 0.020 1 635 82 64 GLU HB2 H 1.965 0.020 2 636 82 64 GLU HB3 H 2.034 0.020 2 637 82 64 GLU HG2 H 2.248 0.020 2 638 82 64 GLU HG3 H 2.355 0.020 2 639 82 64 GLU C C 176.501 0.400 1 640 82 64 GLU CA C 56.841 0.400 1 641 82 64 GLU CB C 30.510 0.400 1 642 82 64 GLU CG C 36.528 0.400 1 643 82 64 GLU N N 121.983 0.400 1 644 83 65 ILE H H 8.271 0.020 1 645 83 65 ILE HA H 4.577 0.020 1 646 83 65 ILE HB H 1.771 0.020 1 647 83 65 ILE HG2 H 0.864 0.020 1 648 83 65 ILE HD1 H 0.682 0.020 1 649 83 65 ILE C C 173.233 0.400 1 650 83 65 ILE CA C 58.798 0.400 1 651 83 65 ILE CB C 39.488 0.400 1 652 83 65 ILE CG2 C 18.084 0.400 1 653 83 65 ILE CD1 C 14.163 0.400 1 654 83 65 ILE N N 121.194 0.400 1 655 84 66 PRO HA H 4.451 0.020 1 656 84 66 PRO HB2 H 1.874 0.020 2 657 84 66 PRO HB3 H 2.404 0.020 2 658 84 66 PRO HG2 H 1.999 0.009 2 659 84 66 PRO HG3 H 1.999 0.009 2 660 84 66 PRO HD2 H 3.857 0.020 2 661 84 66 PRO HD3 H 3.395 0.020 2 662 84 66 PRO C C 177.697 0.400 1 663 84 66 PRO CA C 63.197 0.400 1 664 84 66 PRO CB C 32.065 0.400 1 665 84 66 PRO CG C 27.904 0.400 1 666 84 66 PRO CD C 50.901 0.400 1 667 85 67 SER H H 8.465 0.020 1 668 85 67 SER HA H 4.149 0.020 1 669 85 67 SER HB2 H 3.941 0.020 2 670 85 67 SER HB3 H 3.941 0.020 2 671 85 67 SER C C 174.387 0.400 1 672 85 67 SER CA C 60.348 0.400 1 673 85 67 SER CB C 63.402 0.400 1 674 85 67 SER N N 116.018 0.400 1 675 86 68 ASP H H 8.531 0.020 1 676 86 68 ASP HA H 4.558 0.020 1 677 86 68 ASP HB2 H 2.840 0.020 2 678 86 68 ASP HB3 H 2.640 0.020 2 679 86 68 ASP C C 175.732 0.400 1 680 86 68 ASP CA C 53.810 0.400 1 681 86 68 ASP CB C 40.218 0.400 1 682 86 68 ASP N N 118.568 0.400 1 683 87 69 LYS H H 7.653 0.020 1 684 87 69 LYS HA H 4.682 0.020 1 685 87 69 LYS HB2 H 1.777 0.007 2 686 87 69 LYS HB3 H 1.777 0.007 2 687 87 69 LYS HG2 H 1.401 0.020 2 688 87 69 LYS HG3 H 1.401 0.020 2 689 87 69 LYS HD2 H 1.634 0.020 2 690 87 69 LYS HD3 H 1.514 0.020 2 691 87 69 LYS HE2 H 2.980 0.020 2 692 87 69 LYS HE3 H 2.917 0.020 2 693 87 69 LYS C C 175.814 0.400 1 694 87 69 LYS CA C 54.861 0.400 1 695 87 69 LYS CB C 33.706 0.400 1 696 87 69 LYS CG C 24.598 0.400 1 697 87 69 LYS CD C 28.395 0.400 1 698 87 69 LYS CE C 41.838 0.400 1 699 87 69 LYS N N 119.225 0.400 1 700 88 70 THR H H 8.608 0.020 1 701 88 70 THR HA H 4.529 0.020 1 702 88 70 THR HB H 4.259 0.020 1 703 88 70 THR HG2 H 1.206 0.020 1 704 88 70 THR C C 175.278 0.400 1 705 88 70 THR CA C 60.699 0.400 1 706 88 70 THR CB C 70.710 0.400 1 707 88 70 THR CG2 C 21.136 0.400 1 708 88 70 THR N N 113.175 0.400 1 709 89 71 LEU H H 7.998 0.020 1 710 89 71 LEU HA H 3.937 0.020 1 711 89 71 LEU HB2 H 1.533 0.005 2 712 89 71 LEU HB3 H 1.533 0.005 2 713 89 71 LEU HG H 1.230 0.020 1 714 89 71 LEU HD1 H 0.398 0.020 2 715 89 71 LEU HD2 H 0.689 0.020 2 716 89 71 LEU C C 177.698 0.400 1 717 89 71 LEU CA C 57.764 0.400 1 718 89 71 LEU CB C 42.495 0.400 1 719 89 71 LEU CG C 26.451 0.400 1 720 89 71 LEU CD1 C 25.013 0.400 1 721 89 71 LEU CD2 C 23.896 0.400 1 722 89 71 LEU N N 121.978 0.400 1 723 90 72 THR H H 7.798 0.020 1 724 90 72 THR HA H 4.221 0.020 1 725 90 72 THR HB H 4.317 0.020 1 726 90 72 THR HG2 H 1.294 0.020 1 727 90 72 THR C C 176.248 0.400 1 728 90 72 THR CA C 63.648 0.400 1 729 90 72 THR CB C 68.620 0.400 1 730 90 72 THR CG2 C 21.744 0.400 1 731 90 72 THR N N 106.680 0.400 1 732 91 73 ASP H H 7.805 0.020 1 733 91 73 ASP HA H 4.610 0.020 1 734 91 73 ASP HB2 H 2.902 0.020 2 735 91 73 ASP HB3 H 2.776 0.020 2 736 91 73 ASP C C 177.133 0.400 1 737 91 73 ASP CA C 55.601 0.400 1 738 91 73 ASP CB C 41.673 0.400 1 739 91 73 ASP N N 120.626 0.400 1 740 92 74 LEU H H 8.182 0.020 1 741 92 74 LEU HA H 4.221 0.020 1 742 92 74 LEU HB2 H 1.929 0.020 2 743 92 74 LEU HB3 H 1.418 0.020 2 744 92 74 LEU HG H 1.778 0.020 1 745 92 74 LEU HD1 H 0.827 0.020 2 746 92 74 LEU HD2 H 0.751 0.020 2 747 92 74 LEU C C 176.907 0.400 1 748 92 74 LEU CA C 55.643 0.400 1 749 92 74 LEU CB C 41.324 0.400 1 750 92 74 LEU CG C 26.692 0.400 1 751 92 74 LEU CD1 C 25.383 0.400 1 752 92 74 LEU CD2 C 22.112 0.400 1 753 92 74 LEU N N 120.238 0.400 1 754 93 75 GLY H H 7.713 0.020 1 755 93 75 GLY HA2 H 4.656 0.020 2 756 93 75 GLY HA3 H 3.927 0.020 2 757 93 75 GLY C C 173.853 0.400 1 758 93 75 GLY CA C 44.028 0.400 1 759 93 75 GLY N N 105.772 0.400 1 760 94 76 THR H H 8.842 0.020 1 761 94 76 THR HA H 4.426 0.020 1 762 94 76 THR HB H 4.718 0.020 1 763 94 76 THR HG2 H 1.387 0.020 1 764 94 76 THR C C 174.396 0.400 1 765 94 76 THR CA C 61.220 0.400 1 766 94 76 THR CB C 71.400 0.400 1 767 94 76 THR CG2 C 21.746 0.400 1 768 94 76 THR N N 111.354 0.400 1 769 95 77 ALA H H 8.861 0.020 1 770 95 77 ALA HA H 3.326 0.020 1 771 95 77 ALA HB H 0.935 0.020 1 772 95 77 ALA C C 179.120 0.400 1 773 95 77 ALA CA C 55.624 0.400 1 774 95 77 ALA CB C 16.979 0.400 1 775 95 77 ALA N N 122.586 0.400 1 776 96 78 THR H H 7.757 0.020 1 777 96 78 THR HA H 3.479 0.020 1 778 96 78 THR HB H 3.944 0.020 1 779 96 78 THR HG2 H 1.136 0.020 1 780 96 78 THR C C 175.297 0.400 1 781 96 78 THR CA C 66.314 0.400 1 782 96 78 THR CB C 68.335 0.400 1 783 96 78 THR CG2 C 22.262 0.400 1 784 96 78 THR N N 110.298 0.400 1 785 97 79 ASP H H 7.448 0.020 1 786 97 79 ASP HA H 4.412 0.020 1 787 97 79 ASP HB2 H 2.738 0.020 2 788 97 79 ASP HB3 H 2.992 0.020 2 789 97 79 ASP C C 179.693 0.400 1 790 97 79 ASP CA C 57.994 0.400 1 791 97 79 ASP CB C 40.531 0.400 1 792 97 79 ASP N N 122.829 0.400 1 793 98 80 VAL H H 8.390 0.020 1 794 98 80 VAL HA H 3.482 0.020 1 795 98 80 VAL HB H 1.880 0.020 1 796 98 80 VAL HG1 H 0.739 0.020 2 797 98 80 VAL HG2 H 0.662 0.020 2 798 98 80 VAL C C 178.667 0.400 1 799 98 80 VAL CA C 66.557 0.400 1 800 98 80 VAL CB C 31.508 0.400 1 801 98 80 VAL CG1 C 20.276 0.400 1 802 98 80 VAL CG2 C 23.718 0.400 1 803 98 80 VAL N N 121.175 0.400 1 804 99 81 GLY H H 8.630 0.020 1 805 99 81 GLY HA2 H 3.766 0.020 2 806 99 81 GLY HA3 H 3.538 0.020 2 807 99 81 GLY C C 175.133 0.400 1 808 99 81 GLY CA C 49.050 0.400 1 809 99 81 GLY N N 108.920 0.400 1 810 100 82 TYR H H 8.880 0.020 1 811 100 82 TYR HA H 4.328 0.020 1 812 100 82 TYR HB2 H 3.129 0.020 2 813 100 82 TYR HB3 H 3.142 0.020 2 814 100 82 TYR HD1 H 7.168 0.002 1 815 100 82 TYR HD2 H 7.168 0.002 1 816 100 82 TYR HE1 H 6.826 0.002 1 817 100 82 TYR HE2 H 6.826 0.002 1 818 100 82 TYR C C 179.383 0.400 1 819 100 82 TYR CA C 61.739 0.400 1 820 100 82 TYR CB C 37.099 0.400 1 821 100 82 TYR N N 121.598 0.400 1 822 101 83 ARG H H 8.102 0.020 1 823 101 83 ARG HA H 4.087 0.020 1 824 101 83 ARG HB2 H 2.005 0.020 2 825 101 83 ARG HB3 H 2.004 0.020 2 826 101 83 ARG HG2 H 1.843 0.020 2 827 101 83 ARG HG3 H 1.653 0.020 2 828 101 83 ARG HD2 H 3.239 0.011 2 829 101 83 ARG HD3 H 3.239 0.011 2 830 101 83 ARG C C 178.906 0.400 1 831 101 83 ARG CA C 59.547 0.400 1 832 101 83 ARG CB C 29.623 0.400 1 833 101 83 ARG CG C 27.711 0.400 1 834 101 83 ARG CD C 43.281 0.400 1 835 101 83 ARG N N 121.436 0.400 1 836 102 84 PHE H H 8.511 0.020 1 837 102 84 PHE HA H 4.387 0.020 1 838 102 84 PHE HB2 H 3.095 0.020 2 839 102 84 PHE HB3 H 2.920 0.020 2 840 102 84 PHE HD1 H 6.769 0.002 1 841 102 84 PHE HD2 H 6.769 0.002 1 842 102 84 PHE HE1 H 6.965 0.001 1 843 102 84 PHE HE2 H 6.965 0.001 1 844 102 84 PHE HZ H 7.050 0.020 1 845 102 84 PHE C C 177.731 0.400 1 846 102 84 PHE CA C 60.006 0.400 1 847 102 84 PHE CB C 38.241 0.400 1 848 102 84 PHE N N 121.581 0.400 1 849 103 85 MET H H 8.350 0.020 1 850 103 85 MET HA H 3.850 0.020 1 851 103 85 MET HB2 H 1.806 0.020 2 852 103 85 MET HB3 H 2.312 0.020 2 853 103 85 MET HG2 H 2.657 0.020 2 854 103 85 MET HG3 H 2.876 0.020 2 855 103 85 MET HE H 1.168 0.020 1 856 103 85 MET C C 178.063 0.400 1 857 103 85 MET CA C 57.352 0.400 1 858 103 85 MET CB C 33.654 0.400 1 859 103 85 MET CG C 32.213 0.400 1 860 103 85 MET CE C 19.094 0.400 1 861 103 85 MET N N 117.909 0.400 1 862 104 86 LYS H H 7.578 0.020 1 863 104 86 LYS HA H 4.004 0.020 1 864 104 86 LYS HB2 H 2.007 0.020 2 865 104 86 LYS HB3 H 1.844 0.020 2 866 104 86 LYS HG2 H 1.418 0.020 2 867 104 86 LYS HG3 H 1.496 0.020 2 868 104 86 LYS HE2 H 3.028 0.020 2 869 104 86 LYS HE3 H 3.029 0.020 2 870 104 86 LYS C C 177.910 0.400 1 871 104 86 LYS CA C 59.448 0.400 1 872 104 86 LYS CB C 31.685 0.400 1 873 104 86 LYS CG C 24.978 0.400 1 874 104 86 LYS N N 118.874 0.400 1 875 105 87 THR H H 7.667 0.020 1 876 105 87 THR HA H 3.949 0.020 1 877 105 87 THR HB H 4.209 0.020 1 878 105 87 THR HG2 H 1.189 0.020 1 879 105 87 THR C C 176.912 0.400 1 880 105 87 THR CA C 66.108 0.400 1 881 105 87 THR CB C 68.909 0.400 1 882 105 87 THR CG2 C 21.438 0.400 1 883 105 87 THR N N 114.567 0.400 1 884 106 88 VAL H H 7.600 0.020 1 885 106 88 VAL HA H 3.491 0.020 1 886 106 88 VAL HB H 1.782 0.020 1 887 106 88 VAL HG1 H 0.328 0.020 2 888 106 88 VAL HG2 H 0.674 0.020 2 889 106 88 VAL C C 178.950 0.400 1 890 106 88 VAL CA C 65.824 0.400 1 891 106 88 VAL CB C 31.509 0.400 1 892 106 88 VAL CG1 C 21.473 0.400 1 893 106 88 VAL CG2 C 21.383 0.400 1 894 106 88 VAL N N 122.160 0.400 1 895 107 89 ASN H H 8.501 0.020 1 896 107 89 ASN HA H 4.490 0.020 1 897 107 89 ASN HB2 H 2.890 0.003 2 898 107 89 ASN HB3 H 2.890 0.003 2 899 107 89 ASN HD21 H 7.439 0.020 2 900 107 89 ASN HD22 H 7.043 0.020 2 901 107 89 ASN C C 178.483 0.400 1 902 107 89 ASN CA C 55.942 0.400 1 903 107 89 ASN CB C 37.890 0.400 1 904 107 89 ASN N N 120.741 0.400 1 905 107 89 ASN ND2 N 109.937 0.400 1 906 108 90 ASP H H 8.824 0.020 1 907 108 90 ASP HA H 4.480 0.020 1 908 108 90 ASP HB2 H 2.758 0.020 2 909 108 90 ASP HB3 H 2.673 0.020 2 910 108 90 ASP C C 177.598 0.400 1 911 108 90 ASP CA C 56.367 0.400 1 912 108 90 ASP CB C 40.242 0.400 1 913 108 90 ASP N N 121.211 0.400 1 914 109 91 ALA H H 7.507 0.020 1 915 109 91 ALA HA H 4.392 0.020 1 916 109 91 ALA HB H 1.470 0.020 1 917 109 91 ALA C C 177.936 0.400 1 918 109 91 ALA CA C 52.692 0.400 1 919 109 91 ALA CB C 18.889 0.400 1 920 109 91 ALA N N 121.181 0.400 1 921 110 92 SER H H 7.611 0.020 1 922 110 92 SER HA H 4.537 0.020 1 923 110 92 SER HB2 H 3.974 0.020 2 924 110 92 SER HB3 H 4.059 0.020 2 925 110 92 SER C C 174.252 0.400 1 926 110 92 SER CA C 58.565 0.400 1 927 110 92 SER CB C 64.795 0.400 1 928 110 92 SER N N 113.785 0.400 1 929 111 93 GLN H H 8.414 0.020 1 930 111 93 GLN HA H 4.423 0.020 1 931 111 93 GLN HB2 H 2.071 0.020 2 932 111 93 GLN HB3 H 2.257 0.020 2 933 111 93 GLN HG2 H 2.398 0.020 2 934 111 93 GLN HG3 H 2.398 0.020 2 935 111 93 GLN HE21 H 7.573 0.020 2 936 111 93 GLN HE22 H 6.820 0.020 2 937 111 93 GLN C C 176.441 0.400 1 938 111 93 GLN CA C 55.792 0.400 1 939 111 93 GLN CB C 28.843 0.400 1 940 111 93 GLN CG C 33.862 0.400 1 941 111 93 GLN CD C 180.831 0.400 1 942 111 93 GLN N N 119.994 0.400 1 943 111 93 GLN NE2 N 112.631 0.400 1 944 112 94 GLY H H 8.467 0.020 1 945 112 94 GLY HA2 H 4.083 0.020 2 946 112 94 GLY HA3 H 3.821 0.020 2 947 112 94 GLY C C 174.406 0.400 1 948 112 94 GLY CA C 45.942 0.400 1 949 112 94 GLY N N 107.948 0.400 1 950 113 95 ASP H H 8.423 0.020 1 951 113 95 ASP HA H 4.556 0.020 1 952 113 95 ASP HB2 H 2.734 0.004 2 953 113 95 ASP HB3 H 2.734 0.004 2 954 113 95 ASP C C 175.438 0.400 1 955 113 95 ASP CA C 54.680 0.400 1 956 113 95 ASP CB C 40.194 0.400 1 957 113 95 ASP N N 119.500 0.400 1 958 114 96 ARG H H 7.507 0.020 1 959 114 96 ARG HA H 5.061 0.020 1 960 114 96 ARG HB2 H 1.630 0.012 2 961 114 96 ARG HB3 H 1.630 0.012 2 962 114 96 ARG HG2 H 1.533 0.020 2 963 114 96 ARG HG3 H 1.471 0.020 2 964 114 96 ARG HD2 H 3.011 0.020 2 965 114 96 ARG HD3 H 3.135 0.020 2 966 114 96 ARG C C 175.699 0.400 1 967 114 96 ARG CA C 55.043 0.400 1 968 114 96 ARG CB C 32.640 0.400 1 969 114 96 ARG CG C 27.916 0.400 1 970 114 96 ARG CD C 43.249 0.400 1 971 114 96 ARG N N 118.992 0.400 1 972 115 97 GLN H H 8.814 0.020 1 973 115 97 GLN HA H 4.669 0.020 1 974 115 97 GLN HB2 H 1.990 0.020 2 975 115 97 GLN HB3 H 1.911 0.020 2 976 115 97 GLN HG2 H 2.224 0.006 2 977 115 97 GLN HG3 H 2.224 0.006 2 978 115 97 GLN HE21 H 7.419 0.020 2 979 115 97 GLN HE22 H 6.753 0.020 2 980 115 97 GLN C C 173.696 0.400 1 981 115 97 GLN CA C 54.557 0.400 1 982 115 97 GLN CB C 32.073 0.400 1 983 115 97 GLN CG C 33.617 0.400 1 984 115 97 GLN CD C 180.420 0.400 1 985 115 97 GLN N N 121.149 0.400 1 986 115 97 GLN NE2 N 111.712 0.400 1 987 116 98 ALA H H 9.836 0.020 1 988 116 98 ALA HA H 5.316 0.020 1 989 116 98 ALA HB H 1.356 0.020 1 990 116 98 ALA C C 176.503 0.400 1 991 116 98 ALA CA C 50.814 0.400 1 992 116 98 ALA CB C 21.042 0.400 1 993 116 98 ALA N N 129.789 0.400 1 994 117 99 GLU H H 9.252 0.020 1 995 117 99 GLU HA H 4.603 0.020 1 996 117 99 GLU HB2 H 1.753 0.020 2 997 117 99 GLU HB3 H 1.896 0.020 2 998 117 99 GLU HG2 H 2.129 0.020 2 999 117 99 GLU HG3 H 1.963 0.020 2 1000 117 99 GLU C C 174.361 0.400 1 1001 117 99 GLU CA C 54.320 0.400 1 1002 117 99 GLU CB C 33.312 0.400 1 1003 117 99 GLU CG C 35.816 0.400 1 1004 117 99 GLU N N 122.780 0.400 1 1005 118 100 LEU H H 8.765 0.020 1 1006 118 100 LEU HA H 4.307 0.020 1 1007 118 100 LEU HB2 H 1.837 0.020 2 1008 118 100 LEU HB3 H 1.156 0.020 2 1009 118 100 LEU HD1 H 0.919 0.020 2 1010 118 100 LEU HD2 H 0.551 0.020 2 1011 118 100 LEU C C 176.338 0.400 1 1012 118 100 LEU CA C 55.522 0.400 1 1013 118 100 LEU CB C 42.641 0.400 1 1014 118 100 LEU CD1 C 23.445 0.400 1 1015 118 100 LEU CD2 C 25.981 0.400 1 1016 118 100 LEU N N 127.043 0.400 1 1017 119 101 ILE H H 9.244 0.020 1 1018 119 101 ILE HA H 4.096 0.020 1 1019 119 101 ILE HB H 1.295 0.020 1 1020 119 101 ILE HG12 H 1.382 0.020 2 1021 119 101 ILE HG13 H 0.962 0.020 2 1022 119 101 ILE HG2 H 0.845 0.020 1 1023 119 101 ILE HD1 H 0.370 0.020 1 1024 119 101 ILE C C 175.634 0.400 1 1025 119 101 ILE CA C 62.403 0.400 1 1026 119 101 ILE CB C 39.058 0.400 1 1027 119 101 ILE CG1 C 27.238 0.400 1 1028 119 101 ILE CG2 C 16.778 0.400 1 1029 119 101 ILE CD1 C 13.088 0.400 1 1030 119 101 ILE N N 128.101 0.400 1 1031 120 102 ASN H H 7.989 0.020 1 1032 120 102 ASN HA H 4.955 0.020 1 1033 120 102 ASN HB2 H 2.786 0.020 2 1034 120 102 ASN HB3 H 2.787 0.020 2 1035 120 102 ASN HD21 H 7.194 0.020 2 1036 120 102 ASN HD22 H 7.870 0.020 2 1037 120 102 ASN C C 172.326 0.400 1 1038 120 102 ASN CA C 53.373 0.400 1 1039 120 102 ASN CB C 42.887 0.400 1 1040 120 102 ASN N N 114.715 0.400 1 1041 120 102 ASN ND2 N 115.106 0.400 1 1042 121 103 ALA H H 8.182 0.020 1 1043 121 103 ALA HA H 5.457 0.020 1 1044 121 103 ALA HB H 1.119 0.020 1 1045 121 103 ALA C C 175.068 0.400 1 1046 121 103 ALA CA C 51.359 0.400 1 1047 121 103 ALA CB C 22.409 0.400 1 1048 121 103 ALA N N 125.011 0.400 1 1049 122 104 GLU H H 8.817 0.020 1 1050 122 104 GLU HA H 4.695 0.020 1 1051 122 104 GLU HB2 H 2.201 0.020 2 1052 122 104 GLU HB3 H 1.970 0.020 2 1053 122 104 GLU HG2 H 2.296 0.003 2 1054 122 104 GLU HG3 H 2.296 0.003 2 1055 122 104 GLU C C 173.666 0.400 1 1056 122 104 GLU CA C 55.093 0.400 1 1057 122 104 GLU CB C 34.510 0.400 1 1058 122 104 GLU CG C 35.943 0.400 1 1059 122 104 GLU N N 121.148 0.400 1 1060 123 105 ALA H H 8.860 0.020 1 1061 123 105 ALA HA H 5.527 0.020 1 1062 123 105 ALA HB H 1.477 0.020 1 1063 123 105 ALA C C 176.479 0.400 1 1064 123 105 ALA CA C 51.131 0.400 1 1065 123 105 ALA CB C 22.851 0.400 1 1066 123 105 ALA N N 124.441 0.400 1 1067 124 106 ARG H H 9.209 0.020 1 1068 124 106 ARG HA H 4.823 0.020 1 1069 124 106 ARG HB2 H 1.911 0.020 2 1070 124 106 ARG HB3 H 1.910 0.020 2 1071 124 106 ARG HG2 H 1.509 0.020 2 1072 124 106 ARG HG3 H 1.783 0.020 2 1073 124 106 ARG HD2 H 3.224 0.020 2 1074 124 106 ARG HD3 H 3.138 0.020 2 1075 124 106 ARG C C 172.820 0.400 1 1076 124 106 ARG CA C 54.772 0.400 1 1077 124 106 ARG CB C 33.270 0.400 1 1078 124 106 ARG CG C 27.702 0.400 1 1079 124 106 ARG N N 120.892 0.400 1 1080 125 107 ASP H H 8.633 0.020 1 1081 125 107 ASP HA H 5.239 0.020 1 1082 125 107 ASP HB2 H 2.427 0.020 2 1083 125 107 ASP HB3 H 2.777 0.020 2 1084 125 107 ASP C C 176.097 0.400 1 1085 125 107 ASP CA C 52.944 0.400 1 1086 125 107 ASP CB C 43.138 0.400 1 1087 125 107 ASP N N 122.706 0.400 1 1088 126 108 GLU H H 9.152 0.020 1 1089 126 108 GLU HA H 4.705 0.020 1 1090 126 108 GLU HB2 H 2.268 0.020 2 1091 126 108 GLU HB3 H 2.149 0.020 2 1092 126 108 GLU HG2 H 2.270 0.023 2 1093 126 108 GLU HG3 H 2.270 0.023 2 1094 126 108 GLU C C 175.768 0.400 1 1095 126 108 GLU CA C 55.017 0.400 1 1096 126 108 GLU CB C 30.424 0.400 1 1097 126 108 GLU CG C 35.668 0.400 1 1098 126 108 GLU N N 126.120 0.400 1 1099 127 109 ASP H H 9.067 0.020 1 1100 127 109 ASP HA H 4.354 0.020 1 1101 127 109 ASP HB2 H 2.661 0.020 2 1102 127 109 ASP HB3 H 3.080 0.020 2 1103 127 109 ASP C C 175.414 0.400 1 1104 127 109 ASP CA C 55.390 0.400 1 1105 127 109 ASP CB C 40.242 0.400 1 1106 127 109 ASP N N 126.277 0.400 1 1107 128 110 GLY H H 9.008 0.020 1 1108 128 110 GLY HA2 H 3.704 0.020 2 1109 128 110 GLY HA3 H 4.337 0.020 2 1110 128 110 GLY C C 173.761 0.400 1 1111 128 110 GLY CA C 45.242 0.400 1 1112 128 110 GLY N N 106.859 0.400 1 1113 129 111 GLN H H 7.825 0.020 1 1114 129 111 GLN HA H 4.383 0.020 1 1115 129 111 GLN HB2 H 2.370 0.020 2 1116 129 111 GLN HB3 H 2.088 0.020 2 1117 129 111 GLN HG2 H 1.652 0.007 2 1118 129 111 GLN HG3 H 1.652 0.007 2 1119 129 111 GLN HE21 H 7.346 0.020 2 1120 129 111 GLN HE22 H 7.075 0.020 2 1121 129 111 GLN C C 173.901 0.400 1 1122 129 111 GLN CA C 53.936 0.400 1 1123 129 111 GLN CB C 29.183 0.400 1 1124 129 111 GLN CG C 32.738 0.400 1 1125 129 111 GLN N N 123.033 0.400 1 1126 129 111 GLN NE2 N 116.509 0.400 1 1127 130 112 VAL H H 8.330 0.020 1 1128 130 112 VAL HA H 4.872 0.020 1 1129 130 112 VAL HB H 1.791 0.020 1 1130 130 112 VAL HG1 H 0.926 0.020 2 1131 130 112 VAL HG2 H 0.723 0.020 2 1132 130 112 VAL C C 175.591 0.400 1 1133 130 112 VAL CA C 62.103 0.400 1 1134 130 112 VAL CB C 32.373 0.400 1 1135 130 112 VAL CG1 C 21.828 0.400 1 1136 130 112 VAL CG2 C 21.752 0.400 1 1137 130 112 VAL N N 128.263 0.400 1 1138 131 113 TYR H H 9.136 0.020 1 1139 131 113 TYR HA H 5.050 0.020 1 1140 131 113 TYR HB2 H 2.870 0.020 2 1141 131 113 TYR HB3 H 2.944 0.020 2 1142 131 113 TYR HD1 H 7.092 0.003 1 1143 131 113 TYR HD2 H 7.092 0.003 1 1144 131 113 TYR HE1 H 6.602 0.001 1 1145 131 113 TYR HE2 H 6.602 0.001 1 1146 131 113 TYR C C 175.477 0.400 1 1147 131 113 TYR CA C 56.423 0.400 1 1148 131 113 TYR CB C 41.489 0.400 1 1149 131 113 TYR N N 126.702 0.400 1 1150 132 114 TYR H H 9.577 0.020 1 1151 132 114 TYR HA H 5.830 0.020 1 1152 132 114 TYR HB2 H 2.869 0.020 2 1153 132 114 TYR HB3 H 2.991 0.020 2 1154 132 114 TYR HD1 H 6.987 0.003 1 1155 132 114 TYR HD2 H 6.987 0.003 1 1156 132 114 TYR HE1 H 6.623 0.002 1 1157 132 114 TYR HE2 H 6.623 0.002 1 1158 132 114 TYR C C 175.368 0.400 1 1159 132 114 TYR CA C 54.068 0.400 1 1160 132 114 TYR CB C 39.317 0.400 1 1161 132 114 TYR N N 121.626 0.400 1 1162 133 115 THR H H 9.351 0.020 1 1163 133 115 THR HA H 5.486 0.020 1 1164 133 115 THR HB H 4.051 0.020 1 1165 133 115 THR HG2 H 1.281 0.020 1 1166 133 115 THR C C 174.327 0.400 1 1167 133 115 THR CA C 61.648 0.400 1 1168 133 115 THR CB C 69.622 0.400 1 1169 133 115 THR CG2 C 21.951 0.400 1 1170 133 115 THR N N 120.018 0.400 1 1171 134 116 LEU H H 10.010 0.020 1 1172 134 116 LEU HA H 5.295 0.020 1 1173 134 116 LEU HB2 H 1.941 0.020 2 1174 134 116 LEU HB3 H 1.264 0.020 2 1175 134 116 LEU HG H 1.689 0.020 1 1176 134 116 LEU HD1 H 0.658 0.020 2 1177 134 116 LEU HD2 H 0.845 0.020 2 1178 134 116 LEU C C 174.347 0.400 1 1179 134 116 LEU CA C 52.628 0.400 1 1180 134 116 LEU CB C 44.535 0.400 1 1181 134 116 LEU CG C 26.633 0.400 1 1182 134 116 LEU CD1 C 26.226 0.400 1 1183 134 116 LEU CD2 C 23.694 0.400 1 1184 134 116 LEU N N 127.249 0.400 1 1185 135 117 GLU H H 9.109 0.020 1 1186 135 117 GLU HA H 5.578 0.020 1 1187 135 117 GLU HB2 H 1.984 0.020 2 1188 135 117 GLU HB3 H 2.196 0.020 2 1189 135 117 GLU HG2 H 2.747 0.003 2 1190 135 117 GLU HG3 H 2.747 0.003 2 1191 135 117 GLU C C 175.635 0.400 1 1192 135 117 GLU CA C 54.139 0.400 1 1193 135 117 GLU CB C 32.163 0.400 1 1194 135 117 GLU CG C 35.817 0.400 1 1195 135 117 GLU N N 124.969 0.400 1 1196 136 118 TYR H H 8.973 0.020 1 1197 136 118 TYR HA H 5.275 0.020 1 1198 136 118 TYR HB2 H 2.664 0.020 2 1199 136 118 TYR HB3 H 3.390 0.020 2 1200 136 118 TYR HD1 H 6.576 0.002 1 1201 136 118 TYR HD2 H 6.576 0.002 1 1202 136 118 TYR HE1 H 6.390 0.005 1 1203 136 118 TYR HE2 H 6.390 0.005 1 1204 136 118 TYR C C 170.317 0.400 1 1205 136 118 TYR CA C 56.011 0.400 1 1206 136 118 TYR CB C 42.516 0.400 1 1207 136 118 TYR N N 125.868 0.400 1 1208 137 119 ARG H H 8.920 0.020 1 1209 137 119 ARG HA H 5.077 0.020 1 1210 137 119 ARG HB2 H 1.096 0.020 2 1211 137 119 ARG HB3 H 1.786 0.020 2 1212 137 119 ARG HG2 H 1.218 0.020 2 1213 137 119 ARG HG3 H 1.286 0.020 2 1214 137 119 ARG C C 173.643 0.400 1 1215 137 119 ARG CA C 53.123 0.400 1 1216 137 119 ARG CB C 33.185 0.400 1 1217 137 119 ARG N N 115.256 0.400 1 1218 138 120 VAL H H 8.430 0.020 1 1219 138 120 VAL HA H 4.786 0.020 1 1220 138 120 VAL HB H 1.843 0.020 1 1221 138 120 VAL HG1 H 0.850 0.020 2 1222 138 120 VAL HG2 H 0.877 0.020 2 1223 138 120 VAL C C 174.355 0.400 1 1224 138 120 VAL CA C 61.783 0.400 1 1225 138 120 VAL CB C 34.162 0.400 1 1226 138 120 VAL CG1 C 21.097 0.400 1 1227 138 120 VAL N N 119.767 0.400 1 1228 139 121 LEU H H 9.333 0.020 1 1229 139 121 LEU HA H 5.085 0.020 1 1230 139 121 LEU HB2 H 1.676 0.007 2 1231 139 121 LEU HB3 H 1.676 0.007 2 1232 139 121 LEU HG H 1.492 0.020 1 1233 139 121 LEU HD1 H 0.797 0.020 2 1234 139 121 LEU HD2 H 0.713 0.020 2 1235 139 121 LEU C C 176.376 0.400 1 1236 139 121 LEU CA C 54.659 0.400 1 1237 139 121 LEU CB C 44.122 0.400 1 1238 139 121 LEU CG C 28.875 0.400 1 1239 139 121 LEU CD1 C 25.086 0.400 1 1240 139 121 LEU CD2 C 25.260 0.400 1 1241 139 121 LEU N N 129.915 0.400 1 1242 140 122 VAL H H 8.655 0.020 1 1243 140 122 VAL HA H 4.375 0.020 1 1244 140 122 VAL HB H 1.948 0.020 1 1245 140 122 VAL HG1 H 0.894 0.020 2 1246 140 122 VAL HG2 H 0.922 0.020 2 1247 140 122 VAL C C 177.264 0.400 1 1248 140 122 VAL CA C 61.468 0.400 1 1249 140 122 VAL CB C 32.874 0.400 1 1250 140 122 VAL CG1 C 21.095 0.400 1 1251 140 122 VAL CG2 C 21.102 0.400 1 1252 140 122 VAL N N 120.956 0.400 1 1253 141 123 GLY H H 8.940 0.020 1 1254 141 123 GLY HA2 H 3.984 0.020 2 1255 141 123 GLY HA3 H 3.657 0.020 2 1256 141 123 GLY C C 174.482 0.400 1 1257 141 123 GLY CA C 47.168 0.400 1 1258 141 123 GLY N N 119.059 0.400 1 1259 142 124 ASP H H 8.722 0.020 1 1260 142 124 ASP HA H 4.634 0.020 1 1261 142 124 ASP HB2 H 2.614 0.020 2 1262 142 124 ASP HB3 H 2.772 0.020 2 1263 142 124 ASP C C 175.588 0.400 1 1264 142 124 ASP CA C 54.390 0.400 1 1265 142 124 ASP CB C 41.264 0.400 1 1266 142 124 ASP N N 124.652 0.400 1 1267 143 125 ASN H H 8.023 0.020 1 1268 143 125 ASN HA H 4.927 0.020 1 1269 143 125 ASN HB2 H 2.778 0.020 2 1270 143 125 ASN HB3 H 2.832 0.020 2 1271 143 125 ASN HD21 H 7.633 0.020 2 1272 143 125 ASN HD22 H 6.969 0.020 2 1273 143 125 ASN C C 174.095 0.400 1 1274 143 125 ASN CA C 52.406 0.400 1 1275 143 125 ASN CB C 41.063 0.400 1 1276 143 125 ASN CG C 0.000 0.400 1 1277 143 125 ASN N N 118.203 0.400 1 1278 143 125 ASN ND2 N 114.455 0.400 1 1279 144 126 VAL H H 8.857 0.020 1 1280 144 126 VAL HA H 4.080 0.020 1 1281 144 126 VAL HB H 2.019 0.020 1 1282 144 126 VAL HG1 H 0.911 0.020 2 1283 144 126 VAL HG2 H 0.911 0.020 2 1284 144 126 VAL C C 175.767 0.400 1 1285 144 126 VAL CA C 63.309 0.400 1 1286 144 126 VAL CG1 C 22.976 0.400 1 1287 144 126 VAL CG2 C 22.710 0.400 1 1288 144 126 VAL N N 123.424 0.400 1 1289 145 127 GLU H H 9.487 0.020 1 1290 145 127 GLU HA H 4.405 0.020 1 1291 145 127 GLU HB2 H 1.999 0.020 2 1292 145 127 GLU HB3 H 1.920 0.020 2 1293 145 127 GLU HG2 H 2.261 0.020 2 1294 145 127 GLU HG3 H 2.087 0.020 2 1295 145 127 GLU C C 176.522 0.400 1 1296 145 127 GLU CA C 57.964 0.400 1 1297 145 127 GLU CB C 32.355 0.400 1 1298 145 127 GLU CG C 36.711 0.400 1 1299 145 127 GLU N N 130.709 0.400 1 1300 146 128 ARG H H 7.657 0.020 1 1301 146 128 ARG HA H 5.061 0.020 1 1302 146 128 ARG HB2 H 1.948 0.000 2 1303 146 128 ARG HB3 H 1.948 0.000 2 1304 146 128 ARG HG2 H 1.448 0.000 2 1305 146 128 ARG HG3 H 1.448 0.000 2 1306 146 128 ARG C C 172.055 0.400 1 1307 146 128 ARG CA C 54.381 0.400 1 1308 146 128 ARG CB C 32.991 0.400 1 1309 146 128 ARG N N 113.222 0.400 1 1310 147 129 HIS H H 9.295 0.020 1 1311 147 129 HIS HA H 4.632 0.020 1 1312 147 129 HIS HB2 H 2.798 0.020 2 1313 147 129 HIS HB3 H 2.788 0.020 2 1314 147 129 HIS HD2 H 6.871 0.020 1 1315 147 129 HIS C C 172.407 0.400 1 1316 147 129 HIS CA C 54.196 0.400 1 1317 147 129 HIS CB C 31.936 0.400 1 1318 147 129 HIS N N 125.158 0.400 1 1319 148 130 ASP H H 8.879 0.020 1 1320 148 130 ASP HA H 6.127 0.020 1 1321 148 130 ASP HB2 H 2.272 0.020 2 1322 148 130 ASP HB3 H 0.882 0.020 2 1323 148 130 ASP C C 174.350 0.400 1 1324 148 130 ASP CA C 51.947 0.400 1 1325 148 130 ASP CB C 42.968 0.400 1 1326 148 130 ASP N N 122.383 0.400 1 1327 149 131 LEU H H 8.916 0.020 1 1328 149 131 LEU HA H 5.289 0.020 1 1329 149 131 LEU HB2 H 1.768 0.020 2 1330 149 131 LEU HB3 H 2.080 0.020 2 1331 149 131 LEU HG H 1.524 0.020 1 1332 149 131 LEU HD1 H 1.057 0.020 2 1333 149 131 LEU HD2 H 1.163 0.020 2 1334 149 131 LEU C C 174.289 0.400 1 1335 149 131 LEU CA C 53.858 0.400 1 1336 149 131 LEU CB C 47.868 0.400 1 1337 149 131 LEU CG C 27.614 0.400 1 1338 149 131 LEU CD1 C 26.347 0.400 1 1339 149 131 LEU CD2 C 23.869 0.400 1 1340 149 131 LEU N N 121.444 0.400 1 1341 150 132 ALA H H 9.920 0.020 1 1342 150 132 ALA HA H 6.030 0.020 1 1343 150 132 ALA HB H 1.280 0.020 1 1344 150 132 ALA C C 176.044 0.400 1 1345 150 132 ALA CA C 49.401 0.400 1 1346 150 132 ALA CB C 21.823 0.400 1 1347 150 132 ALA N N 128.498 0.400 1 1348 151 133 SER H H 9.360 0.020 1 1349 151 133 SER HA H 5.812 0.020 1 1350 151 133 SER HB2 H 3.861 0.020 2 1351 151 133 SER HB3 H 4.038 0.020 2 1352 151 133 SER C C 173.367 0.400 1 1353 151 133 SER CA C 56.394 0.400 1 1354 151 133 SER CB C 65.448 0.400 1 1355 151 133 SER N N 116.937 0.400 1 1356 152 134 VAL H H 9.558 0.020 1 1357 152 134 VAL HA H 5.409 0.020 1 1358 152 134 VAL HB H 1.938 0.020 1 1359 152 134 VAL HG1 H 0.863 0.020 2 1360 152 134 VAL HG2 H 0.808 0.020 2 1361 152 134 VAL C C 175.735 0.400 1 1362 152 134 VAL CA C 60.163 0.400 1 1363 152 134 VAL CB C 35.920 0.400 1 1364 152 134 VAL CG1 C 21.167 0.400 1 1365 152 134 VAL CG2 C 21.149 0.400 1 1366 152 134 VAL N N 126.011 0.400 1 1367 153 135 THR H H 8.960 0.020 1 1368 153 135 THR HA H 4.723 0.020 1 1369 153 135 THR HB H 4.142 0.020 1 1370 153 135 THR HG2 H 0.953 0.020 1 1371 153 135 THR C C 171.746 0.400 1 1372 153 135 THR CA C 61.221 0.400 1 1373 153 135 THR CB C 69.300 0.400 1 1374 153 135 THR CG2 C 19.483 0.400 1 1375 153 135 THR N N 118.998 0.400 1 1376 154 136 THR H H 7.940 0.020 1 1377 154 136 THR HA H 5.636 0.020 1 1378 154 136 THR HB H 4.190 0.020 1 1379 154 136 THR HG2 H 1.032 0.020 1 1380 154 136 THR C C 173.904 0.400 1 1381 154 136 THR CA C 58.391 0.400 1 1382 154 136 THR CB C 71.387 0.400 1 1383 154 136 THR CG2 C 22.320 0.400 1 1384 154 136 THR N N 109.883 0.400 1 1385 155 137 ASN H H 8.938 0.020 1 1386 155 137 ASN HA H 4.906 0.020 1 1387 155 137 ASN HB2 H 2.510 0.020 2 1388 155 137 ASN HB3 H 2.797 0.020 2 1389 155 137 ASN HD21 H 8.044 0.020 2 1390 155 137 ASN HD22 H 7.212 0.020 2 1391 155 137 ASN C C 174.994 0.400 1 1392 155 137 ASN CA C 54.345 0.400 1 1393 155 137 ASN CB C 41.807 0.400 1 1394 155 137 ASN N N 115.138 0.400 1 1395 155 137 ASN ND2 N 117.425 0.400 1 1396 156 138 ARG H H 9.364 0.020 1 1397 156 138 ARG HA H 3.957 0.020 1 1398 156 138 ARG HB2 H 1.567 0.003 2 1399 156 138 ARG HB3 H 1.567 0.003 2 1400 156 138 ARG HG2 H 1.936 0.020 2 1401 156 138 ARG HG3 H 1.976 0.020 2 1402 156 138 ARG HD2 H 2.995 0.020 2 1403 156 138 ARG HD3 H 3.285 0.020 2 1404 156 138 ARG C C 175.870 0.400 1 1405 156 138 ARG CA C 57.124 0.400 1 1406 156 138 ARG CB C 27.659 0.400 1 1407 156 138 ARG CG C 27.637 0.400 1 1408 156 138 ARG CD C 43.949 0.400 1 1409 156 138 ARG N N 125.040 0.400 1 1410 157 139 GLY H H 8.862 0.020 1 1411 157 139 GLY HA2 H 3.628 0.020 2 1412 157 139 GLY HA3 H 4.151 0.020 2 1413 157 139 GLY C C 173.563 0.400 1 1414 157 139 GLY CA C 45.821 0.400 1 1415 157 139 GLY N N 104.408 0.400 1 1416 158 140 LYS H H 7.718 0.020 1 1417 158 140 LYS HA H 4.960 0.020 1 1418 158 140 LYS HB2 H 1.734 0.020 2 1419 158 140 LYS HB3 H 1.891 0.020 2 1420 158 140 LYS HE2 H 3.036 0.004 2 1421 158 140 LYS HE3 H 3.036 0.004 2 1422 158 140 LYS C C 174.527 0.400 1 1423 158 140 LYS CA C 53.722 0.400 1 1424 158 140 LYS CB C 34.864 0.400 1 1425 158 140 LYS N N 117.999 0.400 1 1426 159 141 LEU H H 9.006 0.020 1 1427 159 141 LEU HA H 4.630 0.020 1 1428 159 141 LEU HB2 H 1.027 0.020 2 1429 159 141 LEU HB3 H 1.913 0.020 2 1430 159 141 LEU HG H 1.350 0.020 1 1431 159 141 LEU HD1 H 0.710 0.020 2 1432 159 141 LEU HD2 H 0.667 0.020 2 1433 159 141 LEU C C 175.337 0.400 1 1434 159 141 LEU CA C 54.238 0.400 1 1435 159 141 LEU CB C 43.872 0.400 1 1436 159 141 LEU CG C 26.544 0.400 1 1437 159 141 LEU CD1 C 25.445 0.400 1 1438 159 141 LEU CD2 C 24.850 0.400 1 1439 159 141 LEU N N 124.332 0.400 1 1440 160 142 ILE H H 9.129 0.020 1 1441 160 142 ILE HA H 4.729 0.020 1 1442 160 142 ILE HB H 1.665 0.020 1 1443 160 142 ILE HG2 H 0.639 0.020 1 1444 160 142 ILE HD1 H 0.892 0.020 1 1445 160 142 ILE C C 173.414 0.400 1 1446 160 142 ILE CA C 61.233 0.400 1 1447 160 142 ILE CB C 40.184 0.400 1 1448 160 142 ILE CG2 C 18.168 0.400 1 1449 160 142 ILE CD1 C 14.187 0.400 1 1450 160 142 ILE N N 128.619 0.400 1 1451 161 143 THR H H 8.818 0.020 1 1452 161 143 THR HA H 4.797 0.020 1 1453 161 143 THR HB H 3.860 0.020 1 1454 161 143 THR HG2 H 0.752 0.020 1 1455 161 143 THR C C 171.903 0.400 1 1456 161 143 THR CA C 61.666 0.400 1 1457 161 143 THR CB C 70.025 0.400 1 1458 161 143 THR CG2 C 21.166 0.400 1 1459 161 143 THR N N 122.266 0.400 1 1460 162 144 PHE H H 9.219 0.020 1 1461 162 144 PHE HA H 4.790 0.020 1 1462 162 144 PHE HB2 H 2.368 0.020 2 1463 162 144 PHE HB3 H 1.146 0.020 2 1464 162 144 PHE HD1 H 6.550 0.001 1 1465 162 144 PHE HD2 H 6.550 0.001 1 1466 162 144 PHE HE1 H 6.180 0.001 1 1467 162 144 PHE HE2 H 6.180 0.001 1 1468 162 144 PHE C C 173.404 0.400 1 1469 162 144 PHE CA C 55.220 0.400 1 1470 162 144 PHE CB C 39.740 0.400 1 1471 162 144 PHE N N 130.742 0.400 1 1472 163 145 ASP H H 8.862 0.020 1 1473 163 145 ASP HA H 4.956 0.020 1 1474 163 145 ASP HB2 H 2.046 0.020 2 1475 163 145 ASP HB3 H 2.897 0.020 2 1476 163 145 ASP C C 174.933 0.400 1 1477 163 145 ASP CA C 53.410 0.400 1 1478 163 145 ASP CB C 43.324 0.400 1 1479 163 145 ASP N N 127.154 0.400 1 1480 164 146 LEU H H 8.938 0.020 1 1481 164 146 LEU HA H 4.595 0.020 1 1482 164 146 LEU HB2 H 1.585 0.003 2 1483 164 146 LEU HB3 H 1.585 0.003 2 1484 164 146 LEU HG H 1.008 0.020 1 1485 164 146 LEU HD1 H 0.576 0.020 2 1486 164 146 LEU HD2 H 0.245 0.020 2 1487 164 146 LEU C C 174.511 0.400 1 1488 164 146 LEU CA C 53.971 0.400 1 1489 164 146 LEU CB C 43.097 0.400 1 1490 164 146 LEU CG C 26.063 0.400 1 1491 164 146 LEU CD1 C 26.907 0.400 1 1492 164 146 LEU CD2 C 24.310 0.400 1 1493 164 146 LEU N N 131.658 0.400 1 1494 165 147 SER H H 8.995 0.020 1 1495 165 147 SER HA H 5.186 0.020 1 1496 165 147 SER HB2 H 3.584 0.020 2 1497 165 147 SER HB3 H 3.650 0.020 2 1498 165 147 SER C C 173.417 0.400 1 1499 165 147 SER CA C 56.600 0.400 1 1500 165 147 SER CB C 67.205 0.400 1 1501 165 147 SER N N 114.966 0.400 1 1502 166 148 THR H H 8.614 0.020 1 1503 166 148 THR HA H 5.144 0.020 1 1504 166 148 THR HB H 4.581 0.020 1 1505 166 148 THR HG2 H 1.323 0.020 1 1506 166 148 THR C C 173.151 0.400 1 1507 166 148 THR CA C 60.362 0.400 1 1508 166 148 THR CB C 69.214 0.400 1 1509 166 148 THR CG2 C 18.896 0.400 1 1510 166 148 THR N N 118.620 0.400 1 1511 167 149 ALA H H 8.107 0.020 1 1512 167 149 ALA HA H 4.605 0.020 1 1513 167 149 ALA HB H 1.540 0.020 1 1514 167 149 ALA C C 179.460 0.400 1 1515 167 149 ALA CA C 51.556 0.400 1 1516 167 149 ALA CB C 20.258 0.400 1 1517 167 149 ALA N N 124.595 0.400 1 1518 168 150 GLU H H 8.471 0.020 1 1519 168 150 GLU HA H 4.498 0.020 1 1520 168 150 GLU HB2 H 1.800 0.020 2 1521 168 150 GLU HB3 H 1.867 0.020 2 1522 168 150 GLU HG2 H 2.295 0.001 2 1523 168 150 GLU HG3 H 2.295 0.001 2 1524 168 150 GLU C C 178.587 0.400 1 1525 168 150 GLU CA C 58.946 0.400 1 1526 168 150 GLU CB C 28.707 0.400 1 1527 168 150 GLU CG C 33.487 0.400 1 1528 168 150 GLU N N 123.906 0.400 1 1529 169 151 ASP H H 8.575 0.020 1 1530 169 151 ASP HA H 4.483 0.020 1 1531 169 151 ASP HB2 H 2.763 0.020 2 1532 169 151 ASP HB3 H 2.681 0.020 2 1533 169 151 ASP C C 177.260 0.400 1 1534 169 151 ASP CA C 55.918 0.400 1 1535 169 151 ASP CB C 40.085 0.400 1 1536 169 151 ASP N N 114.005 0.400 1 1537 170 152 ARG H H 7.663 0.020 1 1538 170 152 ARG HA H 4.331 0.020 1 1539 170 152 ARG HB2 H 2.028 0.020 2 1540 170 152 ARG HB3 H 2.155 0.020 2 1541 170 152 ARG C C 177.094 0.400 1 1542 170 152 ARG CA C 55.836 0.400 1 1543 170 152 ARG CB C 31.984 0.400 1 1544 170 152 ARG CG C 26.901 0.400 1 1545 170 152 ARG CD C 45.300 0.400 1 1546 170 152 ARG N N 118.283 0.400 1 1547 171 153 TRP H H 7.689 0.020 1 1548 171 153 TRP HA H 3.910 0.020 1 1549 171 153 TRP HB2 H 3.096 0.020 2 1550 171 153 TRP HB3 H 2.858 0.020 2 1551 171 153 TRP HD1 H 6.942 0.020 1 1552 171 153 TRP HE1 H 9.825 0.020 1 1553 171 153 TRP HE3 H 6.918 0.020 1 1554 171 153 TRP HZ2 H 7.196 0.020 1 1555 171 153 TRP HZ3 H 6.866 0.020 1 1556 171 153 TRP HH2 H 7.125 0.020 1 1557 171 153 TRP C C 175.820 0.400 1 1558 171 153 TRP CA C 60.876 0.400 1 1559 171 153 TRP CB C 29.408 0.400 1 1560 171 153 TRP N N 122.336 0.400 1 1561 171 153 TRP NE1 N 128.134 0.400 1 1562 172 154 ASP H H 8.690 0.020 1 1563 172 154 ASP HA H 4.017 0.020 1 1564 172 154 ASP HB2 H 2.580 0.020 2 1565 172 154 ASP HB3 H 2.578 0.020 2 1566 172 154 ASP C C 178.442 0.400 1 1567 172 154 ASP CA C 57.503 0.400 1 1568 172 154 ASP CB C 40.164 0.400 1 1569 172 154 ASP N N 114.179 0.400 1 1570 173 155 THR H H 7.635 0.020 1 1571 173 155 THR HA H 3.990 0.020 1 1572 173 155 THR HB H 4.248 0.020 1 1573 173 155 THR HG2 H 1.198 0.020 1 1574 173 155 THR C C 175.985 0.400 1 1575 173 155 THR CA C 65.585 0.400 1 1576 173 155 THR CB C 69.076 0.400 1 1577 173 155 THR CG2 C 21.440 0.400 1 1578 173 155 THR N N 114.661 0.400 1 1579 174 156 VAL H H 7.447 0.020 1 1580 174 156 VAL HA H 4.277 0.020 1 1581 174 156 VAL HB H 1.758 0.020 1 1582 174 156 VAL HG1 H 0.646 0.020 2 1583 174 156 VAL HG2 H 0.035 0.020 2 1584 174 156 VAL C C 176.185 0.400 1 1585 174 156 VAL CA C 61.444 0.400 1 1586 174 156 VAL CB C 33.153 0.400 1 1587 174 156 VAL CG1 C 20.225 0.400 1 1588 174 156 VAL CG2 C 19.157 0.400 1 1589 174 156 VAL N N 113.687 0.400 1 1590 175 157 LYS H H 7.548 0.020 1 1591 175 157 LYS HA H 2.844 0.020 1 1592 175 157 LYS HB2 H 0.926 0.020 2 1593 175 157 LYS HB3 H 0.666 0.020 2 1594 175 157 LYS HG2 H 1.034 0.020 2 1595 175 157 LYS HG3 H 0.926 0.020 2 1596 175 157 LYS HD2 H 1.456 0.020 2 1597 175 157 LYS HD3 H 1.167 0.020 2 1598 175 157 LYS HE2 H 2.957 0.020 2 1599 175 157 LYS HE3 H 2.957 0.020 2 1600 175 157 LYS C C 177.321 0.400 1 1601 175 157 LYS CA C 60.219 0.400 1 1602 175 157 LYS CB C 30.195 0.400 1 1603 175 157 LYS CG C 23.457 0.400 1 1604 175 157 LYS CD C 28.683 0.400 1 1605 175 157 LYS CE C 42.281 0.400 1 1606 175 157 LYS N N 123.084 0.400 1 1607 176 158 SER H H 8.161 0.020 1 1608 176 158 SER HA H 3.820 0.020 1 1609 176 158 SER HB2 H 4.240 0.000 2 1610 176 158 SER HB3 H 4.240 0.000 2 1611 176 158 SER C C 176.927 0.400 1 1612 176 158 SER CA C 61.600 0.400 1 1613 176 158 SER CB C 62.048 0.400 1 1614 176 158 SER N N 114.046 0.400 1 1615 177 159 LEU H H 7.587 0.020 1 1616 177 159 LEU HA H 4.173 0.020 1 1617 177 159 LEU HB2 H 2.097 0.020 2 1618 177 159 LEU HB3 H 1.613 0.020 2 1619 177 159 LEU HD1 H 0.968 0.020 2 1620 177 159 LEU HD2 H 0.854 0.020 2 1621 177 159 LEU C C 178.403 0.400 1 1622 177 159 LEU CA C 57.702 0.400 1 1623 177 159 LEU CB C 41.076 0.400 1 1624 177 159 LEU CD1 C 25.065 0.400 1 1625 177 159 LEU CD2 C 23.057 0.400 1 1626 177 159 LEU N N 126.125 0.400 1 1627 178 160 PHE H H 9.067 0.020 1 1628 178 160 PHE HA H 4.282 0.020 1 1629 178 160 PHE HB2 H 2.990 0.020 2 1630 178 160 PHE HB3 H 3.209 0.020 2 1631 178 160 PHE HD1 H 7.373 0.020 1 1632 178 160 PHE HE1 H 7.238 0.020 1 1633 178 160 PHE HZ H 6.991 0.020 1 1634 178 160 PHE C C 177.277 0.400 1 1635 178 160 PHE CA C 58.710 0.400 1 1636 178 160 PHE CB C 35.540 0.400 1 1637 178 160 PHE N N 119.582 0.400 1 1638 179 161 ASP H H 8.578 0.020 1 1639 179 161 ASP HA H 4.340 0.020 1 1640 179 161 ASP HB2 H 2.750 0.020 2 1641 179 161 ASP HB3 H 2.812 0.020 2 1642 179 161 ASP C C 179.216 0.400 1 1643 179 161 ASP CA C 57.902 0.400 1 1644 179 161 ASP CB C 40.957 0.400 1 1645 179 161 ASP N N 120.599 0.400 1 1646 180 162 THR H H 7.771 0.020 1 1647 180 162 THR HA H 3.849 0.020 1 1648 180 162 THR HB H 4.401 0.020 1 1649 180 162 THR HG2 H 1.120 0.020 1 1650 180 162 THR C C 176.875 0.400 1 1651 180 162 THR CA C 66.977 0.400 1 1652 180 162 THR CB C 68.886 0.400 1 1653 180 162 THR CG2 C 21.322 0.400 1 1654 180 162 THR N N 118.300 0.400 1 1655 181 163 VAL H H 8.831 0.020 1 1656 181 163 VAL HA H 3.594 0.020 1 1657 181 163 VAL HB H 2.140 0.020 1 1658 181 163 VAL HG1 H 1.361 0.020 2 1659 181 163 VAL HG2 H 0.853 0.020 2 1660 181 163 VAL C C 180.016 0.400 1 1661 181 163 VAL CA C 66.756 0.400 1 1662 181 163 VAL CB C 31.712 0.400 1 1663 181 163 VAL CG1 C 21.892 0.400 1 1664 181 163 VAL CG2 C 22.931 0.400 1 1665 181 163 VAL N N 123.234 0.400 1 1666 182 164 ALA H H 9.662 0.020 1 1667 182 164 ALA HA H 4.262 0.020 1 1668 182 164 ALA HB H 1.551 0.020 1 1669 182 164 ALA C C 180.510 0.400 1 1670 182 164 ALA CA C 56.459 0.400 1 1671 182 164 ALA CB C 17.563 0.400 1 1672 182 164 ALA N N 124.654 0.400 1 1673 183 165 SER H H 7.988 0.020 1 1674 183 165 SER HA H 4.173 0.020 1 1675 183 165 SER HB2 H 3.965 0.020 2 1676 183 165 SER HB3 H 4.020 0.020 2 1677 183 165 SER C C 173.817 0.400 1 1678 183 165 SER CA C 61.155 0.400 1 1679 183 165 SER CB C 63.140 0.400 1 1680 183 165 SER N N 112.325 0.400 1 1681 184 166 SER H H 7.766 0.020 1 1682 184 166 SER HA H 4.356 0.020 1 1683 184 166 SER HB2 H 4.009 0.020 2 1684 184 166 SER HB3 H 4.088 0.020 2 1685 184 166 SER C C 174.163 0.400 1 1686 184 166 SER CA C 59.502 0.400 1 1687 184 166 SER CB C 63.416 0.400 1 1688 184 166 SER N N 117.332 0.400 1 1689 185 167 PHE H H 7.101 0.020 1 1690 185 167 PHE HA H 5.163 0.020 1 1691 185 167 PHE HB2 H 2.946 0.020 2 1692 185 167 PHE HB3 H 2.365 0.020 2 1693 185 167 PHE HD1 H 7.007 0.004 1 1694 185 167 PHE HD2 H 7.007 0.004 1 1695 185 167 PHE HE1 H 6.923 0.000 1 1696 185 167 PHE HE2 H 6.923 0.000 1 1697 185 167 PHE C C 174.545 0.400 1 1698 185 167 PHE CA C 57.502 0.400 1 1699 185 167 PHE CB C 38.390 0.400 1 1700 185 167 PHE N N 124.827 0.400 1 1701 186 168 HIS H H 8.645 0.020 1 1702 186 168 HIS HA H 5.153 0.020 1 1703 186 168 HIS HB2 H 3.109 0.020 2 1704 186 168 HIS HB3 H 3.098 0.020 2 1705 186 168 HIS HD2 H 7.271 0.020 1 1706 186 168 HIS C C 172.836 0.400 1 1707 186 168 HIS CA C 54.156 0.400 1 1708 186 168 HIS CB C 32.003 0.400 1 1709 186 168 HIS N N 127.050 0.400 1 1710 187 169 VAL H H 7.466 0.020 1 1711 187 169 VAL HA H 5.160 0.020 1 1712 187 169 VAL HB H 2.262 0.020 1 1713 187 169 VAL HG1 H 0.707 0.020 2 1714 187 169 VAL HG2 H 0.707 0.020 2 1715 187 169 VAL C C 174.449 0.400 1 1716 187 169 VAL CA C 58.353 0.400 1 1717 187 169 VAL CB C 33.409 0.400 1 1718 187 169 VAL CG1 C 22.144 0.400 1 1719 187 169 VAL CG2 C 17.554 0.400 1 1720 187 169 VAL N N 114.268 0.400 1 1721 188 170 TYR H H 7.777 0.020 1 1722 188 170 TYR HA H 4.450 0.020 1 1723 188 170 TYR HB2 H 2.820 0.020 2 1724 188 170 TYR HB3 H 2.993 0.020 2 1725 188 170 TYR HD1 H 6.687 0.003 1 1726 188 170 TYR HD2 H 6.687 0.003 1 1727 188 170 TYR HE1 H 6.459 0.004 1 1728 188 170 TYR HE2 H 6.459 0.004 1 1729 188 170 TYR C C 179.678 0.400 1 1730 188 170 TYR CA C 58.179 0.400 1 1731 188 170 TYR CB C 38.644 0.400 1 1732 188 170 TYR N N 122.397 0.400 1 stop_ save_