data_19753 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution NMR Structure plectin repeat domain 6 (4403-4606) of Plectin from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR6354E ; _BMRB_accession_number 19753 _BMRB_flat_file_name bmr19753.str _Entry_type original _Submission_date 2014-01-24 _Accession_date 2014-01-24 _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 Pulavarti 'Surya VSRK' . . 2 Eletsky Alexander . . 3 Huang Yuanpeng J. . 4 Janjua Haleema . . 5 Xiao Rong . . 6 Acton Thomas B. . 7 Everett John K. . 8 Montelione Gaetano T. . 9 Szyperski Thomas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 335 "13C chemical shifts" 662 "15N chemical shifts" 195 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-24 original author . stop_ _Original_release_date 2014-02-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution NMR Structure plectin repeat domain 6 (4403-4606) of Plectin from Homo sapiens, Northeast Structural Genomics Consortium (NESG) Target HR6354E' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pulavarti 'Surya VSRK' . . 2 Eletsky Alexander . . 3 Huang Yuanpeng J. . 4 Janjua Haleema . . 5 Xiao Rong . . 6 Acton Thomas B. . 7 Everett John K. . 8 Montelione Gaetano T. . 9 Szyperski Thomas J. . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword 'Protein NMR' 'Protein structure initiative' PSI-BIOLOGY 'Structure genomics' 'Target HR6354E' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Plectin repeat domain 6' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Plectin repeat domain 6' $Plectin 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_Plectin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Plectin _Molecular_mass 23730 _Mol_thiol_state 'all free' loop_ _Biological_function 'cytoskeletal adaptar protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 215 _Mol_residue_sequence ; MGHHHHHHSHMQLASWSDPT EETGPVAGILDTETLEKVSI TEAMHRNLVDNITGQRLLEA QACTGGIIDPSTGERFPVTD AVNKGLVDKIMVDRINLAQK AFCGFEDPRTKTKMSAAQAL KKGWLYYEAGQRFLEVQYLT GGLIEPDTPGRVPLDEALQR GTVDARTAQKLRDVGAYSKY LTCPKTKLKISYKDALDRSM VEEGTGLRLLEAAAQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -9 MET 2 -8 GLY 3 -7 HIS 4 -6 HIS 5 -5 HIS 6 -4 HIS 7 -3 HIS 8 -2 HIS 9 -1 SER 10 0 HIS 11 1 MET 12 2 GLN 13 3 LEU 14 4 ALA 15 5 SER 16 6 TRP 17 7 SER 18 8 ASP 19 9 PRO 20 10 THR 21 11 GLU 22 12 GLU 23 13 THR 24 14 GLY 25 15 PRO 26 16 VAL 27 17 ALA 28 18 GLY 29 19 ILE 30 20 LEU 31 21 ASP 32 22 THR 33 23 GLU 34 24 THR 35 25 LEU 36 26 GLU 37 27 LYS 38 28 VAL 39 29 SER 40 30 ILE 41 31 THR 42 32 GLU 43 33 ALA 44 34 MET 45 35 HIS 46 36 ARG 47 37 ASN 48 38 LEU 49 39 VAL 50 40 ASP 51 41 ASN 52 42 ILE 53 43 THR 54 44 GLY 55 45 GLN 56 46 ARG 57 47 LEU 58 48 LEU 59 49 GLU 60 50 ALA 61 51 GLN 62 52 ALA 63 53 CYS 64 54 THR 65 55 GLY 66 56 GLY 67 57 ILE 68 58 ILE 69 59 ASP 70 60 PRO 71 61 SER 72 62 THR 73 63 GLY 74 64 GLU 75 65 ARG 76 66 PHE 77 67 PRO 78 68 VAL 79 69 THR 80 70 ASP 81 71 ALA 82 72 VAL 83 73 ASN 84 74 LYS 85 75 GLY 86 76 LEU 87 77 VAL 88 78 ASP 89 79 LYS 90 80 ILE 91 81 MET 92 82 VAL 93 83 ASP 94 84 ARG 95 85 ILE 96 86 ASN 97 87 LEU 98 88 ALA 99 89 GLN 100 90 LYS 101 91 ALA 102 92 PHE 103 93 CYS 104 94 GLY 105 95 PHE 106 96 GLU 107 97 ASP 108 98 PRO 109 99 ARG 110 100 THR 111 101 LYS 112 102 THR 113 103 LYS 114 104 MET 115 105 SER 116 106 ALA 117 107 ALA 118 108 GLN 119 109 ALA 120 110 LEU 121 111 LYS 122 112 LYS 123 113 GLY 124 114 TRP 125 115 LEU 126 116 TYR 127 117 TYR 128 118 GLU 129 119 ALA 130 120 GLY 131 121 GLN 132 122 ARG 133 123 PHE 134 124 LEU 135 125 GLU 136 126 VAL 137 127 GLN 138 128 TYR 139 129 LEU 140 130 THR 141 131 GLY 142 132 GLY 143 133 LEU 144 134 ILE 145 135 GLU 146 136 PRO 147 137 ASP 148 138 THR 149 139 PRO 150 140 GLY 151 141 ARG 152 142 VAL 153 143 PRO 154 144 LEU 155 145 ASP 156 146 GLU 157 147 ALA 158 148 LEU 159 149 GLN 160 150 ARG 161 151 GLY 162 152 THR 163 153 VAL 164 154 ASP 165 155 ALA 166 156 ARG 167 157 THR 168 158 ALA 169 159 GLN 170 160 LYS 171 161 LEU 172 162 ARG 173 163 ASP 174 164 VAL 175 165 GLY 176 166 ALA 177 167 TYR 178 168 SER 179 169 LYS 180 170 TYR 181 171 LEU 182 172 THR 183 173 CYS 184 174 PRO 185 175 LYS 186 176 THR 187 177 LYS 188 178 LEU 189 179 LYS 190 180 ILE 191 181 SER 192 182 TYR 193 183 LYS 194 184 ASP 195 185 ALA 196 186 LEU 197 187 ASP 198 188 ARG 199 189 SER 200 190 MET 201 191 VAL 202 192 GLU 203 193 GLU 204 194 GLY 205 195 THR 206 196 GLY 207 197 LEU 208 198 ARG 209 199 LEU 210 200 LEU 211 201 GLU 212 202 ALA 213 203 ALA 214 204 ALA 215 205 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-02 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 2N03 "Solution Nmr Structure Plectin Repeat Domain 6 (4403-4606) Of Plectin From Homo Sapiens, Northeast Structural Genomics Consorti" 100.00 215 100.00 100.00 2.14e-157 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Plectin Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Plectin 'recombinant technology' . Escherichia coli 'BL21(DE3)+ Magic' pET15_NESG 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 $Plectin 1 mM '[U-100% 13C; U-100% 15N; U-2H; ILV-1H]' 'MES pH 6.5' 20 mM 'natural abundance' NaCL 100 mM 'natural abundance' CaCL2 5 mM 'natural abundance' DTT 10 mM 'natural abundance' NaN3 0.02 % 'natural abundance' 'Proteinase Inhibitors' 1 ratio 'natural abundance' DSS 50 uM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_vnmrj _Saveframe_category software _Name vnmrj _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task 'Data collection' stop_ _Details . save_ save_prosa _Saveframe_category software _Name prosa _Version . loop_ _Vendor _Address _Electronic_address Guntert . . stop_ loop_ _Task processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_autoassign _Saveframe_category software _Name autoassign _Version . loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CSI _Saveframe_category software _Name CSI _Version . loop_ _Vendor _Address _Electronic_address 'CSI (Wishart and Sykes)' . . stop_ loop_ _Task 'Secondary structure analysis' stop_ _Details . save_ save_TALOS+ _Saveframe_category software _Name TALOS+ _Version . loop_ _Vendor _Address _Electronic_address '(TALOS+) -Shen, Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details 'UB high field NMR' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_ct_[13C,1H]_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D ct [13C,1H] HSQC' _Sample_label $sample_1 save_ save_3D_TROSY-HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCA' _Sample_label $sample_1 save_ save_3D_TROSY-HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CO)CA' _Sample_label $sample_1 save_ save_3D_TROSY-HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCO' _Sample_label $sample_1 save_ save_3D_TROSY-HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(CA)CO' _Sample_label $sample_1 save_ save_3D_TROSY-HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HNCACB' _Sample_label $sample_1 save_ save_3D_TROSY-HN(COCA)CB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D TROSY-HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_HMCM[CG]CBCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HMCM[CG]CBCA' _Sample_label $sample_1 save_ save_3D_HMCMCBCA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HMCMCBCA' _Sample_label $sample_1 save_ save_3D_[H]-NOESY-[NH/CH]_(_mix=_250_ms)_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D [H]-NOESY-[NH/CH] ( mix= 250 ms)' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.00 na indirect . 'In the sample' . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct . 'In the sample' . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 na indirect . 'In the sample' . 0.101329118 $entry_citation $entry_citation 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_ _Software_label $CARA stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D ct [13C,1H] HSQC' '3D TROSY-HNCA' '3D TROSY-HN(CO)CA' '3D TROSY-HNCO' '3D TROSY-HN(CA)CO' '3D TROSY-HNCACB' '3D TROSY-HN(COCA)CB' '3D HMCM[CG]CBCA' '3D HMCMCBCA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Plectin repeat domain 6' _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 11 MET H H 8.215 0.030 1 2 1 11 MET HA H 4.395 0.030 1 3 1 11 MET C C 178.564 0.400 1 4 1 11 MET CA C 55.179 0.400 1 5 1 11 MET CB C 31.843 0.400 1 6 1 11 MET N N 121.010 0.400 1 7 2 12 GLN H H 8.374 0.030 1 8 2 12 GLN HA H 4.310 0.030 1 9 2 12 GLN C C 175.805 0.400 1 10 2 12 GLN CA C 55.325 0.400 1 11 2 12 GLN CB C 28.441 0.400 1 12 2 12 GLN N N 121.400 0.400 1 13 3 13 LEU H H 8.251 0.030 1 14 3 13 LEU HA H 4.319 0.030 1 15 3 13 LEU HB2 H 1.584 0.030 1 16 3 13 LEU HB3 H 1.584 0.030 1 17 3 13 LEU HD1 H 0.887 0.030 2 18 3 13 LEU HD2 H 0.833 0.030 2 19 3 13 LEU C C 177.137 0.400 1 20 3 13 LEU CA C 54.730 0.400 1 21 3 13 LEU CB C 41.438 0.400 1 22 3 13 LEU CD1 C 24.749 0.400 1 23 3 13 LEU CD2 C 23.297 0.400 1 24 3 13 LEU N N 123.489 0.400 1 25 4 14 ALA H H 8.299 0.030 1 26 4 14 ALA C C 177.643 0.400 1 27 4 14 ALA CA C 52.114 0.400 1 28 4 14 ALA CB C 18.225 0.400 1 29 4 14 ALA N N 124.280 0.400 1 30 5 15 SER H H 8.121 0.030 1 31 5 15 SER HA H 4.452 0.030 1 32 5 15 SER C C 173.823 0.400 1 33 5 15 SER CA C 57.624 0.400 1 34 5 15 SER CB C 62.937 0.400 1 35 5 15 SER N N 114.107 0.400 1 36 6 16 TRP H H 8.222 0.030 1 37 6 16 TRP C C 175.259 0.400 1 38 6 16 TRP CA C 57.193 0.400 1 39 6 16 TRP CB C 29.787 0.400 1 40 6 16 TRP N N 123.054 0.400 1 41 7 17 SER H H 7.115 0.030 1 42 7 17 SER HA H 4.436 0.030 1 43 7 17 SER C C 172.508 0.400 1 44 7 17 SER CA C 56.084 0.400 1 45 7 17 SER CB C 63.858 0.400 1 46 7 17 SER N N 119.137 0.400 1 47 8 18 ASP H H 8.327 0.030 1 48 8 18 ASP C C 174.647 0.400 1 49 8 18 ASP CA C 52.248 0.400 1 50 8 18 ASP CB C 39.831 0.400 1 51 8 18 ASP N N 122.229 0.400 1 52 9 19 PRO HA H 4.214 0.030 1 53 9 19 PRO C C 177.587 0.400 1 54 9 19 PRO CA C 63.117 0.400 1 55 9 19 PRO CB C 31.562 0.400 1 56 10 20 THR H H 8.410 0.030 1 57 10 20 THR HA H 4.414 0.030 1 58 10 20 THR C C 174.984 0.400 1 59 10 20 THR CA C 61.097 0.400 1 60 10 20 THR CB C 69.405 0.400 1 61 10 20 THR N N 113.706 0.400 1 62 11 21 GLU H H 7.940 0.030 1 63 11 21 GLU C C 175.162 0.400 1 64 11 21 GLU CA C 55.099 0.400 1 65 11 21 GLU CB C 29.775 0.400 1 66 11 21 GLU N N 122.445 0.400 1 67 12 22 GLU H H 8.615 0.030 1 68 12 22 GLU C C 176.630 0.400 1 69 12 22 GLU CA C 55.816 0.400 1 70 12 22 GLU CB C 28.571 0.400 1 71 12 22 GLU N N 124.780 0.400 1 72 13 23 THR H H 8.144 0.030 1 73 13 23 THR C C 173.380 0.400 1 74 13 23 THR CA C 59.860 0.400 1 75 13 23 THR CB C 70.443 0.400 1 76 13 23 THR N N 118.666 0.400 1 77 14 24 GLY H H 8.274 0.030 1 78 14 24 GLY C C 171.291 0.400 1 79 14 24 GLY CA C 43.477 0.400 1 80 14 24 GLY N N 107.306 0.400 1 81 15 25 PRO C C 175.542 0.400 1 82 15 25 PRO CA C 61.413 0.400 1 83 15 25 PRO CB C 30.328 0.400 1 84 16 26 VAL H H 7.542 0.030 1 85 16 26 VAL HG1 H 0.956 0.030 2 86 16 26 VAL HG2 H 0.668 0.030 2 87 16 26 VAL C C 178.087 0.400 1 88 16 26 VAL CA C 65.858 0.400 1 89 16 26 VAL CB C 30.328 0.400 1 90 16 26 VAL CG1 C 21.691 0.400 1 91 16 26 VAL CG2 C 20.643 0.400 1 92 16 26 VAL N N 115.254 0.400 1 93 17 27 ALA H H 9.919 0.030 1 94 17 27 ALA C C 176.720 0.400 1 95 17 27 ALA CA C 53.221 0.400 1 96 17 27 ALA CB C 22.020 0.400 1 97 17 27 ALA N N 133.231 0.400 1 98 18 28 GLY H H 7.507 0.030 1 99 18 28 GLY C C 168.526 0.400 1 100 18 28 GLY CA C 44.217 0.400 1 101 18 28 GLY N N 102.018 0.400 1 102 19 29 ILE H H 8.896 0.030 1 103 19 29 ILE HD1 H 0.586 0.030 1 104 19 29 ILE C C 173.173 0.400 1 105 19 29 ILE CA C 55.608 0.400 1 106 19 29 ILE CB C 38.248 0.400 1 107 19 29 ILE CG1 C 26.439 0.400 1 108 19 29 ILE CG2 C 17.019 0.400 1 109 19 29 ILE CD1 C 9.893 0.400 1 110 19 29 ILE N N 120.825 0.400 1 111 20 30 LEU H H 8.458 0.030 1 112 20 30 LEU HD1 H 0.554 0.030 2 113 20 30 LEU HD2 H 0.703 0.030 2 114 20 30 LEU C C 174.815 0.400 1 115 20 30 LEU CA C 52.105 0.400 1 116 20 30 LEU CB C 43.086 0.400 1 117 20 30 LEU CD1 C 23.137 0.400 1 118 20 30 LEU CD2 C 25.036 0.400 1 119 20 30 LEU N N 127.728 0.400 1 120 21 31 ASP H H 8.714 0.030 1 121 21 31 ASP C C 177.664 0.400 1 122 21 31 ASP CA C 53.243 0.400 1 123 21 31 ASP CB C 41.005 0.400 1 124 21 31 ASP N N 126.759 0.400 1 125 22 32 THR H H 8.433 0.030 1 126 22 32 THR HA H 3.901 0.030 1 127 22 32 THR C C 175.132 0.400 1 128 22 32 THR CA C 64.246 0.400 1 129 22 32 THR CB C 68.231 0.400 1 130 22 32 THR N N 117.948 0.400 1 131 23 33 GLU H H 8.835 0.030 1 132 23 33 GLU C C 178.179 0.400 1 133 23 33 GLU CA C 57.972 0.400 1 134 23 33 GLU CB C 28.881 0.400 1 135 23 33 GLU N N 121.040 0.400 1 136 24 34 THR H H 7.326 0.030 1 137 24 34 THR HA H 4.291 0.030 1 138 24 34 THR C C 175.461 0.400 1 139 24 34 THR CA C 60.980 0.400 1 140 24 34 THR CB C 69.637 0.400 1 141 24 34 THR N N 106.083 0.400 1 142 25 35 LEU H H 8.456 0.030 1 143 25 35 LEU HD1 H 0.802 0.030 2 144 25 35 LEU HD2 H 0.870 0.030 2 145 25 35 LEU C C 175.399 0.400 1 146 25 35 LEU CA C 55.719 0.400 1 147 25 35 LEU CB C 37.044 0.400 1 148 25 35 LEU CD1 C 22.858 0.400 1 149 25 35 LEU CD2 C 24.943 0.400 1 150 25 35 LEU N N 118.845 0.400 1 151 26 36 GLU H H 7.502 0.030 1 152 26 36 GLU HA H 4.329 0.030 1 153 26 36 GLU C C 174.921 0.400 1 154 26 36 GLU CA C 55.327 0.400 1 155 26 36 GLU CB C 31.597 0.400 1 156 26 36 GLU N N 117.555 0.400 1 157 27 37 LYS H H 8.333 0.030 1 158 27 37 LYS C C 175.744 0.400 1 159 27 37 LYS CA C 55.075 0.400 1 160 27 37 LYS CB C 30.279 0.400 1 161 27 37 LYS N N 124.961 0.400 1 162 28 38 VAL H H 9.492 0.030 1 163 28 38 VAL HG1 H 0.760 0.030 2 164 28 38 VAL HG2 H 0.648 0.030 2 165 28 38 VAL C C 174.647 0.400 1 166 28 38 VAL CA C 57.751 0.400 1 167 28 38 VAL CB C 35.191 0.400 1 168 28 38 VAL CG1 C 21.517 0.400 1 169 28 38 VAL CG2 C 18.742 0.400 1 170 28 38 VAL N N 121.582 0.400 1 171 29 39 SER H H 8.801 0.030 1 172 29 39 SER CA C 56.337 0.400 1 173 29 39 SER CB C 63.220 0.400 1 174 29 39 SER N N 116.908 0.400 1 175 30 40 ILE H H 9.153 0.030 1 176 30 40 ILE HA H 4.620 0.030 1 177 30 40 ILE HD1 H 0.689 0.030 1 178 30 40 ILE CA C 64.247 0.400 1 179 30 40 ILE CB C 36.189 0.400 1 180 30 40 ILE CD1 C 12.911 0.400 1 181 30 40 ILE N N 120.359 0.400 1 182 31 41 THR H H 8.374 0.030 1 183 31 41 THR C C 175.427 0.400 1 184 31 41 THR CA C 66.499 0.400 1 185 31 41 THR CB C 67.695 0.400 1 186 31 41 THR N N 117.054 0.400 1 187 32 42 GLU H H 8.254 0.030 1 188 32 42 GLU C C 178.741 0.400 1 189 32 42 GLU CA C 58.304 0.400 1 190 32 42 GLU CB C 27.676 0.400 1 191 32 42 GLU N N 123.618 0.400 1 192 33 43 ALA H H 8.800 0.030 1 193 33 43 ALA C C 180.387 0.400 1 194 33 43 ALA CA C 54.669 0.400 1 195 33 43 ALA CB C 17.945 0.400 1 196 33 43 ALA N N 120.139 0.400 1 197 34 44 MET H H 8.364 0.030 1 198 34 44 MET CA C 59.073 0.400 1 199 34 44 MET CB C 32.531 0.400 1 200 34 44 MET N N 119.637 0.400 1 201 35 45 HIS H H 8.222 0.030 1 202 35 45 HIS HA H 4.585 0.030 1 203 35 45 HIS C C 176.841 0.400 1 204 35 45 HIS CA C 56.613 0.400 1 205 35 45 HIS CB C 27.313 0.400 1 206 35 45 HIS N N 120.504 0.400 1 207 36 46 ARG H H 7.993 0.030 1 208 36 46 ARG C C 175.005 0.400 1 209 36 46 ARG CA C 56.191 0.400 1 210 36 46 ARG CB C 30.800 0.400 1 211 36 46 ARG N N 115.861 0.400 1 212 37 47 ASN H H 8.096 0.030 1 213 37 47 ASN C C 174.731 0.400 1 214 37 47 ASN CA C 54.577 0.400 1 215 37 47 ASN CB C 36.457 0.400 1 216 37 47 ASN N N 113.840 0.400 1 217 38 48 LEU H H 8.474 0.030 1 218 38 48 LEU HA H 4.186 0.030 1 219 38 48 LEU HD1 H 0.789 0.030 2 220 38 48 LEU HD2 H 0.752 0.030 2 221 38 48 LEU C C 176.103 0.400 1 222 38 48 LEU CA C 55.602 0.400 1 223 38 48 LEU CB C 42.658 0.400 1 224 38 48 LEU CD1 C 24.960 0.400 1 225 38 48 LEU CD2 C 21.652 0.400 1 226 38 48 LEU N N 115.757 0.400 1 227 39 49 VAL H H 6.618 0.030 1 228 39 49 VAL HG1 H 0.698 0.030 2 229 39 49 VAL HG2 H 0.859 0.030 2 230 39 49 VAL C C 174.567 0.400 1 231 39 49 VAL CA C 58.065 0.400 1 232 39 49 VAL CB C 35.129 0.400 1 233 39 49 VAL CG1 C 21.552 0.400 1 234 39 49 VAL CG2 C 21.163 0.400 1 235 39 49 VAL N N 110.719 0.400 1 236 40 50 ASP H H 7.841 0.030 1 237 40 50 ASP C C 175.638 0.400 1 238 40 50 ASP CA C 53.120 0.400 1 239 40 50 ASP CB C 40.476 0.400 1 240 40 50 ASP N N 122.085 0.400 1 241 41 51 ASN H H 8.743 0.030 1 242 41 51 ASN HA H 4.424 0.030 1 243 41 51 ASN C C 177.348 0.400 1 244 41 51 ASN CA C 56.853 0.400 1 245 41 51 ASN CB C 38.309 0.400 1 246 41 51 ASN N N 117.876 0.400 1 247 42 52 ILE H H 8.234 0.030 1 248 42 52 ILE HD1 H 0.842 0.030 1 249 42 52 ILE C C 177.598 0.400 1 250 42 52 ILE CA C 62.321 0.400 1 251 42 52 ILE CB C 35.784 0.400 1 252 42 52 ILE CG2 C 16.006 0.400 1 253 42 52 ILE CD1 C 11.533 0.400 1 254 42 52 ILE N N 119.716 0.400 1 255 43 53 THR H H 8.550 0.030 1 256 43 53 THR CA C 67.595 0.400 1 257 43 53 THR CB C 67.010 0.400 1 258 43 53 THR N N 120.565 0.400 1 259 44 54 GLY H H 8.804 0.030 1 260 44 54 GLY HA2 H 4.281 0.030 1 261 44 54 GLY HA3 H 4.281 0.030 1 262 44 54 GLY C C 175.883 0.400 1 263 44 54 GLY CA C 47.409 0.400 1 264 44 54 GLY N N 107.775 0.400 1 265 45 55 GLN H H 8.206 0.030 1 266 45 55 GLN C C 178.572 0.400 1 267 45 55 GLN CA C 59.790 0.400 1 268 45 55 GLN CB C 27.639 0.400 1 269 45 55 GLN N N 121.053 0.400 1 270 46 56 ARG H H 8.807 0.030 1 271 46 56 ARG C C 181.569 0.400 1 272 46 56 ARG CA C 57.349 0.400 1 273 46 56 ARG CB C 29.510 0.400 1 274 46 56 ARG N N 116.743 0.400 1 275 47 57 LEU H H 9.030 0.030 1 276 47 57 LEU HD2 H 0.904 0.030 1 277 47 57 LEU C C 181.413 0.400 1 278 47 57 LEU CA C 57.492 0.400 1 279 47 57 LEU CB C 41.149 0.400 1 280 47 57 LEU CD2 C 22.552 0.400 1 281 47 57 LEU N N 120.753 0.400 1 282 48 58 LEU H H 8.483 0.030 1 283 48 58 LEU HD1 H 0.956 0.030 1 284 48 58 LEU CA C 57.991 0.400 1 285 48 58 LEU CB C 41.142 0.400 1 286 48 58 LEU CD1 C 23.198 0.400 1 287 48 58 LEU CD2 C 25.935 0.400 1 288 48 58 LEU N N 123.054 0.400 1 289 49 59 GLU H H 9.252 0.030 1 290 49 59 GLU C C 178.340 0.400 1 291 49 59 GLU CA C 59.555 0.400 1 292 49 59 GLU CB C 29.651 0.400 1 293 49 59 GLU N N 121.510 0.400 1 294 50 60 ALA H H 7.731 0.030 1 295 50 60 ALA C C 178.866 0.400 1 296 50 60 ALA CA C 53.721 0.400 1 297 50 60 ALA CB C 19.229 0.400 1 298 50 60 ALA N N 118.452 0.400 1 299 51 61 GLN H H 7.110 0.030 1 300 51 61 GLN C C 178.445 0.400 1 301 51 61 GLN CA C 57.650 0.400 1 302 51 61 GLN CB C 25.529 0.400 1 303 51 61 GLN N N 114.103 0.400 1 304 52 62 ALA H H 8.483 0.030 1 305 52 62 ALA C C 179.817 0.400 1 306 52 62 ALA CA C 55.434 0.400 1 307 52 62 ALA CB C 17.011 0.400 1 308 52 62 ALA N N 123.235 0.400 1 309 53 63 CYS H H 8.315 0.030 1 310 53 63 CYS C C 174.013 0.400 1 311 53 63 CYS CA C 59.857 0.400 1 312 53 63 CYS CB C 25.999 0.400 1 313 53 63 CYS N N 110.076 0.400 1 314 54 64 THR H H 7.179 0.030 1 315 54 64 THR C C 173.612 0.400 1 316 54 64 THR CA C 60.351 0.400 1 317 54 64 THR CB C 69.195 0.400 1 318 54 64 THR N N 106.984 0.400 1 319 55 65 GLY H H 6.318 0.030 1 320 55 65 GLY C C 173.401 0.400 1 321 55 65 GLY CA C 43.216 0.400 1 322 55 65 GLY N N 106.912 0.400 1 323 56 66 GLY H H 7.454 0.030 1 324 56 66 GLY C C 172.821 0.400 1 325 56 66 GLY CA C 43.479 0.400 1 326 56 66 GLY N N 107.056 0.400 1 327 57 67 ILE H H 8.971 0.030 1 328 57 67 ILE HD1 H 0.743 0.030 1 329 57 67 ILE C C 176.268 0.400 1 330 57 67 ILE CA C 58.507 0.400 1 331 57 67 ILE CB C 34.802 0.400 1 332 57 67 ILE CD1 C 9.611 0.400 1 333 57 67 ILE N N 121.328 0.400 1 334 58 68 ILE H H 7.419 0.030 1 335 58 68 ILE HD1 H 0.746 0.030 1 336 58 68 ILE C C 176.194 0.400 1 337 58 68 ILE CA C 60.220 0.400 1 338 58 68 ILE CB C 40.427 0.400 1 339 58 68 ILE CG1 C 25.292 0.400 1 340 58 68 ILE CG2 C 15.500 0.400 1 341 58 68 ILE CD1 C 13.410 0.400 1 342 58 68 ILE N N 126.869 0.400 1 343 59 69 ASP H H 8.907 0.030 1 344 59 69 ASP C C 175.761 0.400 1 345 59 69 ASP CA C 49.921 0.400 1 346 59 69 ASP CB C 41.429 0.400 1 347 59 69 ASP N N 126.400 0.400 1 348 60 70 PRO HA H 4.025 0.030 1 349 60 70 PRO C C 175.721 0.400 1 350 60 70 PRO CA C 63.311 0.400 1 351 60 70 PRO CB C 30.004 0.400 1 352 61 71 SER H H 8.626 0.030 1 353 61 71 SER C C 175.554 0.400 1 354 61 71 SER CA C 60.403 0.400 1 355 61 71 SER CB C 62.685 0.400 1 356 61 71 SER N N 113.744 0.400 1 357 62 72 THR H H 7.057 0.030 1 358 62 72 THR HA H 4.547 0.030 1 359 62 72 THR C C 176.332 0.400 1 360 62 72 THR CA C 60.966 0.400 1 361 62 72 THR CB C 71.054 0.400 1 362 62 72 THR N N 107.344 0.400 1 363 63 73 GLY H H 9.094 0.030 1 364 63 73 GLY C C 173.143 0.400 1 365 63 73 GLY CA C 45.113 0.400 1 366 63 73 GLY N N 110.580 0.400 1 367 64 74 GLU H H 7.995 0.030 1 368 64 74 GLU C C 173.887 0.400 1 369 64 74 GLU CA C 56.458 0.400 1 370 64 74 GLU CB C 30.892 0.400 1 371 64 74 GLU N N 120.719 0.400 1 372 65 75 ARG H H 7.812 0.030 1 373 65 75 ARG C C 176.419 0.400 1 374 65 75 ARG CA C 53.641 0.400 1 375 65 75 ARG CB C 31.617 0.400 1 376 65 75 ARG N N 117.305 0.400 1 377 66 76 PHE H H 8.978 0.030 1 378 66 76 PHE C C 173.781 0.400 1 379 66 76 PHE CA C 55.832 0.400 1 380 66 76 PHE CB C 42.029 0.400 1 381 66 76 PHE N N 118.202 0.400 1 382 67 77 PRO C C 177.407 0.400 1 383 67 77 PRO CA C 61.655 0.400 1 384 67 77 PRO CB C 31.647 0.400 1 385 68 78 VAL H H 8.881 0.030 1 386 68 78 VAL HA H 3.426 0.030 1 387 68 78 VAL HG1 H 0.993 0.030 2 388 68 78 VAL HG2 H 0.908 0.030 2 389 68 78 VAL C C 176.799 0.400 1 390 68 78 VAL CA C 67.347 0.400 1 391 68 78 VAL CB C 31.319 0.400 1 392 68 78 VAL CG1 C 23.229 0.400 1 393 68 78 VAL CG2 C 21.768 0.400 1 394 68 78 VAL N N 121.616 0.400 1 395 69 79 THR H H 8.517 0.030 1 396 69 79 THR CA C 65.594 0.400 1 397 69 79 THR CB C 67.347 0.400 1 398 69 79 THR CG2 C 21.409 0.400 1 399 69 79 THR N N 111.480 0.400 1 400 70 80 ASP H H 6.992 0.030 1 401 70 80 ASP HA H 4.538 0.030 1 402 70 80 ASP C C 177.902 0.400 1 403 70 80 ASP CA C 56.235 0.400 1 404 70 80 ASP CB C 40.456 0.400 1 405 70 80 ASP N N 119.746 0.400 1 406 71 81 ALA H H 8.556 0.030 1 407 71 81 ALA C C 179.817 0.400 1 408 71 81 ALA CA C 54.385 0.400 1 409 71 81 ALA CB C 17.651 0.400 1 410 71 81 ALA N N 120.791 0.400 1 411 72 82 VAL H H 8.265 0.030 1 412 72 82 VAL HG1 H 0.946 0.030 2 413 72 82 VAL HG2 H 0.895 0.030 2 414 72 82 VAL C C 179.975 0.400 1 415 72 82 VAL CA C 64.686 0.400 1 416 72 82 VAL CB C 31.138 0.400 1 417 72 82 VAL CG1 C 20.798 0.400 1 418 72 82 VAL CG2 C 22.613 0.400 1 419 72 82 VAL N N 120.072 0.400 1 420 73 83 ASN H H 7.348 0.030 1 421 73 83 ASN C C 176.783 0.400 1 422 73 83 ASN CA C 55.347 0.400 1 423 73 83 ASN CB C 37.042 0.400 1 424 73 83 ASN N N 119.560 0.400 1 425 74 84 LYS H H 7.437 0.030 1 426 74 84 LYS HA H 4.243 0.030 1 427 74 84 LYS C C 176.504 0.400 1 428 74 84 LYS CB C 32.262 0.400 1 429 74 84 LYS N N 116.117 0.400 1 430 75 85 GLY H H 7.840 0.030 1 431 75 85 GLY C C 174.938 0.400 1 432 75 85 GLY CA C 45.019 0.400 1 433 75 85 GLY N N 106.802 0.400 1 434 76 86 LEU H H 7.998 0.030 1 435 76 86 LEU HA H 4.281 0.030 1 436 76 86 LEU HD1 H 0.753 0.030 2 437 76 86 LEU HD2 H 1.035 0.030 2 438 76 86 LEU C C 177.221 0.400 1 439 76 86 LEU CA C 54.597 0.400 1 440 76 86 LEU CB C 42.904 0.400 1 441 76 86 LEU CD1 C 25.318 0.400 1 442 76 86 LEU CD2 C 22.256 0.400 1 443 76 86 LEU N N 116.222 0.400 1 444 77 87 VAL H H 6.977 0.030 1 445 77 87 VAL HG1 H 0.813 0.030 2 446 77 87 VAL HG2 H 0.809 0.030 2 447 77 87 VAL C C 173.444 0.400 1 448 77 87 VAL CA C 59.983 0.400 1 449 77 87 VAL CB C 35.768 0.400 1 450 77 87 VAL CG1 C 21.632 0.400 1 451 77 87 VAL CG2 C 23.545 0.400 1 452 77 87 VAL N N 117.411 0.400 1 453 78 88 ASP H H 9.199 0.030 1 454 78 88 ASP C C 177.486 0.400 1 455 78 88 ASP CA C 53.864 0.400 1 456 78 88 ASP CB C 40.542 0.400 1 457 78 88 ASP N N 126.509 0.400 1 458 79 89 LYS H H 8.919 0.030 1 459 79 89 LYS HA H 3.868 0.030 1 460 79 89 LYS C C 179.057 0.400 1 461 79 89 LYS CA C 59.721 0.400 1 462 79 89 LYS CB C 30.964 0.400 1 463 79 89 LYS N N 123.164 0.400 1 464 80 90 ILE H H 8.159 0.030 1 465 80 90 ILE HD1 H 0.919 0.030 1 466 80 90 ILE C C 176.018 0.400 1 467 80 90 ILE CA C 62.208 0.400 1 468 80 90 ILE CB C 37.380 0.400 1 469 80 90 ILE CD1 C 13.924 0.400 1 470 80 90 ILE N N 114.606 0.400 1 471 81 91 MET H H 7.756 0.030 1 472 81 91 MET HA H 4.623 0.030 1 473 81 91 MET C C 177.031 0.400 1 474 81 91 MET CA C 54.234 0.400 1 475 81 91 MET CB C 32.489 0.400 1 476 81 91 MET N N 118.096 0.400 1 477 82 92 VAL H H 7.375 0.030 1 478 82 92 VAL HA H 3.180 0.030 1 479 82 92 VAL HG1 H 0.905 0.030 2 480 82 92 VAL HG2 H 0.975 0.030 2 481 82 92 VAL C C 176.905 0.400 1 482 82 92 VAL CA C 67.349 0.400 1 483 82 92 VAL CB C 31.255 0.400 1 484 82 92 VAL CG1 C 20.445 0.400 1 485 82 92 VAL CG2 C 24.199 0.400 1 486 82 92 VAL N N 119.645 0.400 1 487 83 93 ASP H H 8.533 0.030 1 488 83 93 ASP HA H 4.433 0.030 1 489 83 93 ASP C C 179.078 0.400 1 490 83 93 ASP CA C 56.984 0.400 1 491 83 93 ASP CB C 39.412 0.400 1 492 83 93 ASP N N 117.555 0.400 1 493 84 94 ARG H H 7.660 0.030 1 494 84 94 ARG CA C 57.608 0.400 1 495 84 94 ARG CB C 29.206 0.400 1 496 84 94 ARG N N 117.195 0.400 1 497 85 95 ILE H H 7.747 0.030 1 498 85 95 ILE HD1 H 0.760 0.030 1 499 85 95 ILE C C 176.462 0.400 1 500 85 95 ILE CA C 61.087 0.400 1 501 85 95 ILE CB C 35.815 0.400 1 502 85 95 ILE CD1 C 13.225 0.400 1 503 85 95 ILE N N 114.678 0.400 1 504 86 96 ASN H H 8.208 0.030 1 505 86 96 ASN C C 177.897 0.400 1 506 86 96 ASN CA C 55.949 0.400 1 507 86 96 ASN CB C 38.154 0.400 1 508 86 96 ASN N N 120.276 0.400 1 509 87 97 LEU H H 7.853 0.030 1 510 87 97 LEU HD1 H 1.258 0.030 2 511 87 97 LEU HD2 H 1.159 0.030 2 512 87 97 LEU C C 177.475 0.400 1 513 87 97 LEU CA C 57.909 0.400 1 514 87 97 LEU CB C 40.456 0.400 1 515 87 97 LEU CD1 C 24.247 0.400 1 516 87 97 LEU CD2 C 24.793 0.400 1 517 87 97 LEU N N 120.087 0.400 1 518 88 98 ALA H H 7.272 0.030 1 519 88 98 ALA C C 178.903 0.400 1 520 88 98 ALA CA C 53.469 0.400 1 521 88 98 ALA CB C 18.588 0.400 1 522 88 98 ALA N N 118.883 0.400 1 523 89 99 GLN H H 7.784 0.030 1 524 89 99 GLN C C 179.184 0.400 1 525 89 99 GLN CA C 58.135 0.400 1 526 89 99 GLN CB C 28.140 0.400 1 527 89 99 GLN N N 116.151 0.400 1 528 90 100 LYS H H 7.695 0.030 1 529 90 100 LYS C C 177.109 0.400 1 530 90 100 LYS CA C 59.089 0.400 1 531 90 100 LYS CB C 30.000 0.400 1 532 90 100 LYS N N 121.328 0.400 1 533 91 101 ALA H H 7.285 0.030 1 534 91 101 ALA C C 176.673 0.400 1 535 91 101 ALA CA C 53.334 0.400 1 536 91 101 ALA CB C 17.020 0.400 1 537 91 101 ALA N N 117.013 0.400 1 538 92 102 PHE H H 7.520 0.030 1 539 92 102 PHE CA C 59.461 0.400 1 540 92 102 PHE CB C 39.879 0.400 1 541 92 102 PHE N N 117.558 0.400 1 542 93 103 CYS H H 8.313 0.030 1 543 93 103 CYS HA H 3.910 0.030 1 544 93 103 CYS C C 174.752 0.400 1 545 93 103 CYS CA C 59.845 0.400 1 546 93 103 CYS CB C 28.193 0.400 1 547 93 103 CYS N N 114.784 0.400 1 548 94 104 GLY H H 8.392 0.030 1 549 94 104 GLY C C 172.283 0.400 1 550 94 104 GLY CA C 43.573 0.400 1 551 94 104 GLY N N 108.668 0.400 1 552 95 105 PHE H H 8.924 0.030 1 553 95 105 PHE HA H 4.329 0.030 1 554 95 105 PHE C C 175.638 0.400 1 555 95 105 PHE CA C 56.805 0.400 1 556 95 105 PHE CB C 39.590 0.400 1 557 95 105 PHE N N 120.879 0.400 1 558 96 106 GLU H H 8.913 0.030 1 559 96 106 GLU CA C 55.901 0.400 1 560 96 106 GLU CB C 30.245 0.400 1 561 96 106 GLU N N 123.955 0.400 1 562 97 107 ASP H H 8.637 0.030 1 563 97 107 ASP CA C 50.740 0.400 1 564 97 107 ASP CB C 42.046 0.400 1 565 97 107 ASP N N 126.501 0.400 1 566 98 108 PRO HA H 4.310 0.030 1 567 98 108 PRO C C 177.712 0.400 1 568 98 108 PRO CA C 63.858 0.400 1 569 98 108 PRO CB C 31.056 0.400 1 570 99 109 ARG H H 8.370 0.030 1 571 99 109 ARG HA H 4.281 0.030 1 572 99 109 ARG C C 177.875 0.400 1 573 99 109 ARG CA C 57.661 0.400 1 574 99 109 ARG CB C 29.761 0.400 1 575 99 109 ARG N N 116.408 0.400 1 576 100 110 THR H H 7.610 0.030 1 577 100 110 THR C C 175.374 0.400 1 578 100 110 THR CA C 61.301 0.400 1 579 100 110 THR CB C 69.832 0.400 1 580 100 110 THR N N 106.658 0.400 1 581 101 111 LYS H H 8.380 0.030 1 582 101 111 LYS HA H 3.939 0.030 1 583 101 111 LYS C C 175.720 0.400 1 584 101 111 LYS CA C 56.955 0.400 1 585 101 111 LYS CB C 28.019 0.400 1 586 101 111 LYS N N 116.760 0.400 1 587 102 112 THR H H 7.529 0.030 1 588 102 112 THR C C 173.820 0.400 1 589 102 112 THR CA C 61.195 0.400 1 590 102 112 THR CB C 69.975 0.400 1 591 102 112 THR CG2 C 20.733 0.400 1 592 102 112 THR N N 112.097 0.400 1 593 103 113 LYS H H 8.667 0.030 1 594 103 113 LYS HA H 4.082 0.030 1 595 103 113 LYS C C 175.997 0.400 1 596 103 113 LYS CA C 55.460 0.400 1 597 103 113 LYS CB C 33.344 0.400 1 598 103 113 LYS N N 122.195 0.400 1 599 104 114 MET H H 9.129 0.030 1 600 104 114 MET HA H 4.871 0.030 1 601 104 114 MET C C 175.914 0.400 1 602 104 114 MET CA C 53.458 0.400 1 603 104 114 MET CB C 35.456 0.400 1 604 104 114 MET N N 120.753 0.400 1 605 105 115 SER H H 9.077 0.030 1 606 105 115 SER HA H 4.623 0.030 1 607 105 115 SER C C 174.520 0.400 1 608 105 115 SER CA C 56.444 0.400 1 609 105 115 SER CB C 65.090 0.400 1 610 105 115 SER N N 116.654 0.400 1 611 106 116 ALA H H 9.814 0.030 1 612 106 116 ALA C C 178.572 0.400 1 613 106 116 ALA CA C 55.064 0.400 1 614 106 116 ALA CB C 16.565 0.400 1 615 106 116 ALA N N 121.941 0.400 1 616 107 117 ALA H H 8.711 0.030 1 617 107 117 ALA HA H 4.006 0.030 1 618 107 117 ALA C C 180.703 0.400 1 619 107 117 ALA CA C 55.073 0.400 1 620 107 117 ALA CB C 17.346 0.400 1 621 107 117 ALA N N 117.722 0.400 1 622 108 118 GLN H H 7.758 0.030 1 623 108 118 GLN C C 177.939 0.400 1 624 108 118 GLN CA C 58.186 0.400 1 625 108 118 GLN CB C 28.319 0.400 1 626 108 118 GLN N N 118.446 0.400 1 627 109 119 ALA H H 8.771 0.030 1 628 109 119 ALA C C 179.923 0.400 1 629 109 119 ALA CA C 54.449 0.400 1 630 109 119 ALA CB C 17.361 0.400 1 631 109 119 ALA N N 122.157 0.400 1 632 110 120 LEU H H 8.210 0.030 1 633 110 120 LEU HA H 4.200 0.030 1 634 110 120 LEU HD1 H 0.730 0.030 1 635 110 120 LEU C C 177.897 0.400 1 636 110 120 LEU CA C 57.311 0.400 1 637 110 120 LEU CB C 41.708 0.400 1 638 110 120 LEU CD1 C 25.528 0.400 1 639 110 120 LEU N N 120.080 0.400 1 640 111 121 LYS H H 7.527 0.030 1 641 111 121 LYS C C 178.403 0.400 1 642 111 121 LYS CA C 58.377 0.400 1 643 111 121 LYS CB C 31.144 0.400 1 644 111 121 LYS N N 120.867 0.400 1 645 112 122 LYS H H 7.683 0.030 1 646 112 122 LYS HA H 4.039 0.030 1 647 112 122 LYS C C 176.419 0.400 1 648 112 122 LYS CA C 55.593 0.400 1 649 112 122 LYS CB C 31.429 0.400 1 650 112 122 LYS N N 114.746 0.400 1 651 113 123 GLY H H 7.484 0.030 1 652 113 123 GLY C C 174.616 0.400 1 653 113 123 GLY CA C 44.864 0.400 1 654 113 123 GLY N N 105.303 0.400 1 655 114 124 TRP H H 7.842 0.030 1 656 114 124 TRP C C 174.625 0.400 1 657 114 124 TRP CA C 56.047 0.400 1 658 114 124 TRP CB C 29.159 0.400 1 659 114 124 TRP N N 119.348 0.400 1 660 115 125 LEU H H 6.774 0.030 1 661 115 125 LEU HD1 H 1.009 0.030 2 662 115 125 LEU HD2 H 0.878 0.030 2 663 115 125 LEU C C 174.203 0.400 1 664 115 125 LEU CA C 52.103 0.400 1 665 115 125 LEU CB C 43.859 0.400 1 666 115 125 LEU CD1 C 23.969 0.400 1 667 115 125 LEU CD2 C 25.946 0.400 1 668 115 125 LEU N N 118.456 0.400 1 669 116 126 TYR H H 8.157 0.030 1 670 116 126 TYR C C 176.798 0.400 1 671 116 126 TYR CA C 56.869 0.400 1 672 116 126 TYR CB C 37.251 0.400 1 673 116 126 TYR N N 124.564 0.400 1 674 117 127 TYR H H 8.614 0.030 1 675 117 127 TYR CA C 61.737 0.400 1 676 117 127 TYR CB C 37.261 0.400 1 677 117 127 TYR N N 124.576 0.400 1 678 118 128 GLU H H 7.803 0.030 1 679 118 128 GLU HA H 3.531 0.030 1 680 118 128 GLU C C 178.192 0.400 1 681 118 128 GLU CA C 59.358 0.400 1 682 118 128 GLU CB C 28.138 0.400 1 683 118 128 GLU N N 116.133 0.400 1 684 119 129 ALA H H 6.250 0.030 1 685 119 129 ALA C C 177.749 0.400 1 686 119 129 ALA CA C 53.067 0.400 1 687 119 129 ALA CB C 17.290 0.400 1 688 119 129 ALA N N 117.842 0.400 1 689 120 130 GLY H H 7.988 0.030 1 690 120 130 GLY C C 174.540 0.400 1 691 120 130 GLY CA C 47.529 0.400 1 692 120 130 GLY N N 101.121 0.400 1 693 121 131 GLN H H 8.395 0.030 1 694 121 131 GLN C C 177.897 0.400 1 695 121 131 GLN CA C 58.230 0.400 1 696 121 131 GLN CB C 26.072 0.400 1 697 121 131 GLN N N 119.530 0.400 1 698 122 132 ARG H H 6.740 0.030 1 699 122 132 ARG C C 180.281 0.400 1 700 122 132 ARG CA C 59.205 0.400 1 701 122 132 ARG CB C 29.514 0.400 1 702 122 132 ARG N N 115.901 0.400 1 703 123 133 PHE H H 7.625 0.030 1 704 123 133 PHE C C 178.403 0.400 1 705 123 133 PHE CA C 56.575 0.400 1 706 123 133 PHE CB C 36.407 0.400 1 707 123 133 PHE N N 117.521 0.400 1 708 124 134 LEU H H 8.280 0.030 1 709 124 134 LEU HD1 H 0.674 0.030 1 710 124 134 LEU C C 178.825 0.400 1 711 124 134 LEU CA C 57.518 0.400 1 712 124 134 LEU CB C 40.745 0.400 1 713 124 134 LEU CD1 C 25.825 0.400 1 714 124 134 LEU CD2 C 23.113 0.400 1 715 124 134 LEU N N 117.948 0.400 1 716 125 135 GLU H H 8.124 0.030 1 717 125 135 GLU C C 178.635 0.400 1 718 125 135 GLU CA C 59.142 0.400 1 719 125 135 GLU CB C 29.787 0.400 1 720 125 135 GLU N N 118.777 0.400 1 721 126 136 VAL H H 7.365 0.030 1 722 126 136 VAL HG1 H 0.744 0.030 2 723 126 136 VAL HG2 H 0.438 0.030 2 724 126 136 VAL C C 179.944 0.400 1 725 126 136 VAL CA C 66.592 0.400 1 726 126 136 VAL CB C 30.782 0.400 1 727 126 136 VAL CG1 C 21.696 0.400 1 728 126 136 VAL CG2 C 20.992 0.400 1 729 126 136 VAL N N 116.366 0.400 1 730 127 137 GLN H H 8.199 0.030 1 731 127 137 GLN C C 177.856 0.400 1 732 127 137 GLN CA C 59.367 0.400 1 733 127 137 GLN CB C 25.446 0.400 1 734 127 137 GLN N N 119.095 0.400 1 735 128 138 TYR H H 9.392 0.030 1 736 128 138 TYR C C 178.509 0.400 1 737 128 138 TYR CA C 62.491 0.400 1 738 128 138 TYR CB C 38.795 0.400 1 739 128 138 TYR N N 120.575 0.400 1 740 129 139 LEU H H 8.856 0.030 1 741 129 139 LEU HD1 H 0.368 0.030 2 742 129 139 LEU HD2 H 1.189 0.030 2 743 129 139 LEU C C 178.087 0.400 1 744 129 139 LEU CA C 56.953 0.400 1 745 129 139 LEU CB C 42.235 0.400 1 746 129 139 LEU CD1 C 20.811 0.400 1 747 129 139 LEU CD2 C 21.919 0.400 1 748 129 139 LEU N N 116.438 0.400 1 749 130 140 THR H H 7.597 0.030 1 750 130 140 THR CA C 60.481 0.400 1 751 130 140 THR CB C 68.878 0.400 1 752 130 140 THR N N 104.395 0.400 1 753 131 141 GLY H H 6.969 0.030 1 754 131 141 GLY C C 172.980 0.400 1 755 131 141 GLY CA C 45.101 0.400 1 756 131 141 GLY N N 102.847 0.400 1 757 132 142 GLY H H 8.175 0.030 1 758 132 142 GLY C C 172.979 0.400 1 759 132 142 GLY CA C 43.578 0.400 1 760 132 142 GLY N N 107.306 0.400 1 761 133 143 LEU H H 8.885 0.030 1 762 133 143 LEU HD1 H 0.819 0.030 2 763 133 143 LEU HD2 H 0.925 0.030 2 764 133 143 LEU C C 175.976 0.400 1 765 133 143 LEU CA C 55.245 0.400 1 766 133 143 LEU CB C 40.110 0.400 1 767 133 143 LEU CD1 C 24.944 0.400 1 768 133 143 LEU CD2 C 22.763 0.400 1 769 133 143 LEU N N 117.320 0.400 1 770 134 144 ILE H H 7.536 0.030 1 771 134 144 ILE HD1 H 1.115 0.030 1 772 134 144 ILE C C 176.260 0.400 1 773 134 144 ILE CA C 60.084 0.400 1 774 134 144 ILE CB C 38.849 0.400 1 775 134 144 ILE CG2 C 15.864 0.400 1 776 134 144 ILE CD1 C 13.645 0.400 1 777 134 144 ILE N N 118.671 0.400 1 778 135 145 GLU H H 9.713 0.030 1 779 135 145 GLU C C 174.056 0.400 1 780 135 145 GLU CA C 51.970 0.400 1 781 135 145 GLU CB C 29.462 0.400 1 782 135 145 GLU N N 131.289 0.400 1 783 136 146 PRO C C 177.112 0.400 1 784 136 146 PRO CA C 63.143 0.400 1 785 136 146 PRO CB C 30.634 0.400 1 786 137 147 ASP H H 8.722 0.030 1 787 137 147 ASP HA H 4.259 0.030 1 788 137 147 ASP C C 174.731 0.400 1 789 137 147 ASP CA C 55.092 0.400 1 790 137 147 ASP CB C 39.159 0.400 1 791 137 147 ASP N N 117.445 0.400 1 792 138 148 THR H H 7.661 0.030 1 793 138 148 THR C C 171.945 0.400 1 794 138 148 THR CA C 59.338 0.400 1 795 138 148 THR CB C 70.471 0.400 1 796 138 148 THR N N 116.400 0.400 1 797 139 149 PRO HA H 4.433 0.030 1 798 139 149 PRO C C 177.174 0.400 1 799 139 149 PRO CA C 62.567 0.400 1 800 139 149 PRO CB C 31.225 0.400 1 801 140 150 GLY H H 8.280 0.030 1 802 140 150 GLY C C 173.781 0.400 1 803 140 150 GLY CA C 44.198 0.400 1 804 140 150 GLY N N 108.278 0.400 1 805 141 151 ARG H H 8.384 0.030 1 806 141 151 ARG C C 176.124 0.400 1 807 141 151 ARG CA C 51.664 0.400 1 808 141 151 ARG CB C 32.126 0.400 1 809 141 151 ARG N N 117.842 0.400 1 810 142 152 VAL H H 9.675 0.030 1 811 142 152 VAL HG1 H 0.906 0.030 2 812 142 152 VAL HG2 H 0.873 0.030 2 813 142 152 VAL C C 173.971 0.400 1 814 142 152 VAL CA C 59.218 0.400 1 815 142 152 VAL CB C 33.405 0.400 1 816 142 152 VAL CG1 C 20.156 0.400 1 817 142 152 VAL CG2 C 20.805 0.400 1 818 142 152 VAL N N 125.033 0.400 1 819 143 153 PRO C C 178.376 0.400 1 820 143 153 PRO CA C 61.827 0.400 1 821 143 153 PRO CB C 31.816 0.400 1 822 144 154 LEU H H 9.629 0.030 1 823 144 154 LEU HA H 3.949 0.030 1 824 144 154 LEU HD1 H 0.872 0.030 2 825 144 154 LEU HD2 H 0.891 0.030 2 826 144 154 LEU CA C 57.808 0.400 1 827 144 154 LEU CB C 41.082 0.400 1 828 144 154 LEU CD1 C 25.143 0.400 1 829 144 154 LEU CD2 C 25.663 0.400 1 830 144 154 LEU N N 125.663 0.400 1 831 145 155 ASP H H 9.151 0.030 1 832 145 155 ASP C C 179.289 0.400 1 833 145 155 ASP CA C 57.461 0.400 1 834 145 155 ASP CB C 39.826 0.400 1 835 145 155 ASP N N 114.686 0.400 1 836 146 156 GLU H H 7.178 0.030 1 837 146 156 GLU HA H 4.139 0.030 1 838 146 156 GLU C C 178.071 0.400 1 839 146 156 GLU CA C 58.200 0.400 1 840 146 156 GLU CB C 28.315 0.400 1 841 146 156 GLU N N 119.600 0.400 1 842 147 157 ALA H H 8.079 0.030 1 843 147 157 ALA HA H 3.911 0.030 1 844 147 157 ALA C C 180.302 0.400 1 845 147 157 ALA CA C 54.466 0.400 1 846 147 157 ALA CB C 17.269 0.400 1 847 147 157 ALA N N 122.930 0.400 1 848 148 158 LEU H H 8.598 0.030 1 849 148 158 LEU HA H 4.129 0.030 1 850 148 158 LEU HD1 H 0.803 0.030 2 851 148 158 LEU HD2 H 0.759 0.030 2 852 148 158 LEU C C 180.635 0.400 1 853 148 158 LEU CA C 57.228 0.400 1 854 148 158 LEU CB C 41.314 0.400 1 855 148 158 LEU CD1 C 24.535 0.400 1 856 148 158 LEU CD2 C 23.753 0.400 1 857 148 158 LEU N N 118.975 0.400 1 858 149 159 GLN H H 7.678 0.030 1 859 149 159 GLN HA H 4.025 0.030 1 860 149 159 GLN C C 178.382 0.400 1 861 149 159 GLN CA C 58.448 0.400 1 862 149 159 GLN CB C 27.390 0.400 1 863 149 159 GLN N N 120.007 0.400 1 864 150 160 ARG H H 8.180 0.030 1 865 150 160 ARG HA H 4.262 0.030 1 866 150 160 ARG C C 176.968 0.400 1 867 150 160 ARG CA C 56.593 0.400 1 868 150 160 ARG CB C 30.328 0.400 1 869 150 160 ARG N N 115.549 0.400 1 870 151 161 GLY H H 7.876 0.030 1 871 151 161 GLY C C 175.090 0.400 1 872 151 161 GLY CA C 45.086 0.400 1 873 151 161 GLY N N 107.207 0.400 1 874 152 162 THR H H 8.451 0.030 1 875 152 162 THR HA H 4.000 0.030 1 876 152 162 THR C C 173.929 0.400 1 877 152 162 THR CA C 63.269 0.400 1 878 152 162 THR CB C 67.362 0.400 1 879 152 162 THR N N 113.860 0.400 1 880 153 163 VAL H H 6.946 0.030 1 881 153 163 VAL HG1 H 0.687 0.030 2 882 153 163 VAL HG2 H 0.787 0.030 2 883 153 163 VAL C C 172.832 0.400 1 884 153 163 VAL CA C 58.699 0.400 1 885 153 163 VAL CB C 34.204 0.400 1 886 153 163 VAL CG1 C 20.962 0.400 1 887 153 163 VAL CG2 C 20.163 0.400 1 888 153 163 VAL N N 112.674 0.400 1 889 154 164 ASP H H 7.912 0.030 1 890 154 164 ASP C C 175.947 0.400 1 891 154 164 ASP CA C 51.719 0.400 1 892 154 164 ASP CB C 42.082 0.400 1 893 154 164 ASP N N 121.086 0.400 1 894 155 165 ALA H H 8.677 0.030 1 895 155 165 ALA HA H 3.930 0.030 1 896 155 165 ALA C C 180.404 0.400 1 897 155 165 ALA CA C 54.949 0.400 1 898 155 165 ALA CB C 17.310 0.400 1 899 155 165 ALA N N 121.744 0.400 1 900 156 166 ARG H H 8.317 0.030 1 901 156 166 ARG HA H 4.086 0.030 1 902 156 166 ARG C C 179.060 0.400 1 903 156 166 ARG CA C 58.576 0.400 1 904 156 166 ARG CB C 28.254 0.400 1 905 156 166 ARG N N 118.700 0.400 1 906 157 167 THR H H 8.233 0.030 1 907 157 167 THR CA C 66.368 0.400 1 908 157 167 THR CB C 67.061 0.400 1 909 157 167 THR N N 119.393 0.400 1 910 158 168 ALA H H 8.114 0.030 1 911 158 168 ALA HA H 3.854 0.030 1 912 158 168 ALA C C 178.129 0.400 1 913 158 168 ALA CA C 55.099 0.400 1 914 158 168 ALA CB C 17.902 0.400 1 915 158 168 ALA N N 121.636 0.400 1 916 159 169 GLN H H 7.967 0.030 1 917 159 169 GLN C C 178.741 0.400 1 918 159 169 GLN CA C 58.338 0.400 1 919 159 169 GLN CB C 26.977 0.400 1 920 159 169 GLN N N 116.149 0.400 1 921 160 170 LYS H H 7.800 0.030 1 922 160 170 LYS HA H 4.070 0.030 1 923 160 170 LYS C C 180.635 0.400 1 924 160 170 LYS CA C 58.546 0.400 1 925 160 170 LYS CB C 31.384 0.400 1 926 160 170 LYS N N 118.544 0.400 1 927 161 171 LEU H H 8.119 0.030 1 928 161 171 LEU HD1 H 0.649 0.030 2 929 161 171 LEU HD2 H 0.652 0.030 2 930 161 171 LEU C C 177.686 0.400 1 931 161 171 LEU CA C 56.342 0.400 1 932 161 171 LEU CB C 39.706 0.400 1 933 161 171 LEU CD1 C 25.920 0.400 1 934 161 171 LEU CD2 C 22.071 0.400 1 935 161 171 LEU N N 118.916 0.400 1 936 162 172 ARG H H 7.384 0.030 1 937 162 172 ARG HA H 4.177 0.030 1 938 162 172 ARG C C 177.052 0.400 1 939 162 172 ARG CA C 57.662 0.400 1 940 162 172 ARG CB C 29.555 0.400 1 941 162 172 ARG N N 113.941 0.400 1 942 163 173 ASP H H 7.316 0.030 1 943 163 173 ASP C C 177.580 0.400 1 944 163 173 ASP CA C 51.449 0.400 1 945 163 173 ASP CB C 37.492 0.400 1 946 163 173 ASP N N 120.676 0.400 1 947 164 174 VAL H H 7.351 0.030 1 948 164 174 VAL HA H 2.857 0.030 1 949 164 174 VAL HG1 H 0.366 0.030 2 950 164 174 VAL HG2 H 0.268 0.030 2 951 164 174 VAL C C 178.171 0.400 1 952 164 174 VAL CA C 62.882 0.400 1 953 164 174 VAL CB C 30.218 0.400 1 954 164 174 VAL CG1 C 20.795 0.400 1 955 164 174 VAL CG2 C 17.918 0.400 1 956 164 174 VAL N N 118.040 0.400 1 957 165 175 GLY H H 8.787 0.030 1 958 165 175 GLY C C 174.604 0.400 1 959 165 175 GLY CA C 45.474 0.400 1 960 165 175 GLY N N 108.645 0.400 1 961 166 176 ALA H H 7.515 0.030 1 962 166 176 ALA HA H 4.576 0.030 1 963 166 176 ALA C C 177.200 0.400 1 964 166 176 ALA CA C 50.207 0.400 1 965 166 176 ALA N N 121.237 0.400 1 966 167 177 TYR H H 7.225 0.030 1 967 167 177 TYR CA C 56.101 0.400 1 968 167 177 TYR CB C 35.998 0.400 1 969 167 177 TYR N N 120.964 0.400 1 970 168 178 SER H H 9.269 0.030 1 971 168 178 SER C C 175.301 0.400 1 972 168 178 SER CA C 58.796 0.400 1 973 168 178 SER CB C 62.817 0.400 1 974 168 178 SER N N 116.940 0.400 1 975 169 179 LYS H H 8.759 0.030 1 976 169 179 LYS C C 175.715 0.400 1 977 169 179 LYS CA C 54.001 0.400 1 978 169 179 LYS CB C 28.978 0.400 1 979 169 179 LYS N N 126.669 0.400 1 980 170 180 TYR H H 6.723 0.030 1 981 170 180 TYR C C 175.787 0.400 1 982 170 180 TYR CA C 56.331 0.400 1 983 170 180 TYR CB C 37.294 0.400 1 984 170 180 TYR N N 114.829 0.400 1 985 171 181 LEU H H 8.252 0.030 1 986 171 181 LEU HD1 H 0.524 0.030 2 987 171 181 LEU HD2 H 0.945 0.030 2 988 171 181 LEU C C 175.427 0.400 1 989 171 181 LEU CA C 53.036 0.400 1 990 171 181 LEU CB C 41.776 0.400 1 991 171 181 LEU CD1 C 26.482 0.400 1 992 171 181 LEU CD2 C 25.665 0.400 1 993 171 181 LEU N N 123.595 0.400 1 994 172 182 THR H H 8.664 0.030 1 995 172 182 THR C C 173.685 0.400 1 996 172 182 THR CA C 61.512 0.400 1 997 172 182 THR CB C 67.363 0.400 1 998 172 182 THR N N 119.288 0.400 1 999 173 183 CYS H H 9.123 0.030 1 1000 173 183 CYS C C 176.651 0.400 1 1001 173 183 CYS CA C 57.825 0.400 1 1002 173 183 CYS CB C 28.185 0.400 1 1003 173 183 CYS N N 131.919 0.400 1 1004 174 184 PRO C C 176.151 0.400 1 1005 174 184 PRO CA C 63.473 0.400 1 1006 174 184 PRO CB C 30.759 0.400 1 1007 175 185 LYS H H 9.606 0.030 1 1008 175 185 LYS C C 176.799 0.400 1 1009 175 185 LYS CA C 58.042 0.400 1 1010 175 185 LYS CB C 33.645 0.400 1 1011 175 185 LYS N N 125.087 0.400 1 1012 176 186 THR HA H 4.329 0.030 1 1013 176 186 THR C C 175.667 0.400 1 1014 176 186 THR CA C 62.474 0.400 1 1015 176 186 THR CB C 71.721 0.400 1 1016 177 187 LYS H H 8.200 0.030 1 1017 177 187 LYS C C 175.251 0.400 1 1018 177 187 LYS CA C 56.225 0.400 1 1019 177 187 LYS CB C 27.292 0.400 1 1020 177 187 LYS N N 114.604 0.400 1 1021 178 188 LEU H H 7.231 0.030 1 1022 178 188 LEU HA H 4.519 0.030 1 1023 178 188 LEU HD1 H 0.903 0.030 2 1024 178 188 LEU HD2 H 0.875 0.030 2 1025 178 188 LEU C C 176.414 0.400 1 1026 178 188 LEU CA C 53.363 0.400 1 1027 178 188 LEU CB C 42.106 0.400 1 1028 178 188 LEU CD1 C 24.796 0.400 1 1029 178 188 LEU CD2 C 22.293 0.400 1 1030 178 188 LEU N N 119.572 0.400 1 1031 179 189 LYS H H 8.191 0.030 1 1032 179 189 LYS C C 177.499 0.400 1 1033 179 189 LYS CA C 54.135 0.400 1 1034 179 189 LYS CB C 29.228 0.400 1 1035 179 189 LYS N N 119.029 0.400 1 1036 180 190 ILE H H 9.094 0.030 1 1037 180 190 ILE HD1 H 0.560 0.030 1 1038 180 190 ILE C C 174.288 0.400 1 1039 180 190 ILE CA C 59.109 0.400 1 1040 180 190 ILE CB C 41.600 0.400 1 1041 180 190 ILE CG2 C 15.668 0.400 1 1042 180 190 ILE CD1 C 12.184 0.400 1 1043 180 190 ILE N N 116.146 0.400 1 1044 181 191 SER H H 9.621 0.030 1 1045 181 191 SER C C 175.364 0.400 1 1046 181 191 SER CA C 55.574 0.400 1 1047 181 191 SER CB C 66.038 0.400 1 1048 181 191 SER N N 117.875 0.400 1 1049 182 192 TYR H H 9.806 0.030 1 1050 182 192 TYR C C 177.706 0.400 1 1051 182 192 TYR CA C 62.234 0.400 1 1052 182 192 TYR CB C 37.281 0.400 1 1053 182 192 TYR N N 120.716 0.400 1 1054 183 193 LYS H H 7.119 0.030 1 1055 183 193 LYS HA H 3.944 0.030 1 1056 183 193 LYS C C 177.242 0.400 1 1057 183 193 LYS CA C 59.081 0.400 1 1058 183 193 LYS CB C 31.043 0.400 1 1059 183 193 LYS N N 115.603 0.400 1 1060 184 194 ASP H H 7.609 0.030 1 1061 184 194 ASP C C 178.572 0.400 1 1062 184 194 ASP CA C 56.716 0.400 1 1063 184 194 ASP CB C 40.157 0.400 1 1064 184 194 ASP N N 118.447 0.400 1 1065 185 195 ALA H H 7.844 0.030 1 1066 185 195 ALA CA C 54.327 0.400 1 1067 185 195 ALA CB C 15.944 0.400 1 1068 185 195 ALA N N 120.242 0.400 1 1069 186 196 LEU H H 7.662 0.030 1 1070 186 196 LEU HA H 3.721 0.030 1 1071 186 196 LEU HD1 H 1.052 0.030 2 1072 186 196 LEU HD2 H 0.859 0.030 2 1073 186 196 LEU C C 180.387 0.400 1 1074 186 196 LEU CB C 40.256 0.400 1 1075 186 196 LEU CD1 C 26.726 0.400 1 1076 186 196 LEU CD2 C 22.826 0.400 1 1077 186 196 LEU N N 117.167 0.400 1 1078 187 197 ASP H H 8.559 0.030 1 1079 187 197 ASP C C 178.002 0.400 1 1080 187 197 ASP CA C 56.861 0.400 1 1081 187 197 ASP CB C 39.429 0.400 1 1082 187 197 ASP N N 119.880 0.400 1 1083 188 198 ARG H H 7.767 0.030 1 1084 188 198 ARG HA H 4.509 0.030 1 1085 188 198 ARG C C 176.588 0.400 1 1086 188 198 ARG CA C 54.859 0.400 1 1087 188 198 ARG CB C 28.903 0.400 1 1088 188 198 ARG N N 114.452 0.400 1 1089 189 199 SER H H 7.447 0.030 1 1090 189 199 SER C C 173.523 0.400 1 1091 189 199 SER CA C 60.094 0.400 1 1092 189 199 SER CB C 63.534 0.400 1 1093 189 199 SER N N 119.015 0.400 1 1094 190 200 MET H H 9.136 0.030 1 1095 190 200 MET HA H 4.623 0.030 1 1096 190 200 MET C C 175.280 0.400 1 1097 190 200 MET CA C 53.549 0.400 1 1098 190 200 MET CB C 33.228 0.400 1 1099 190 200 MET N N 122.139 0.400 1 1100 191 201 VAL H H 8.616 0.030 1 1101 191 201 VAL HG1 H 0.678 0.030 2 1102 191 201 VAL HG2 H 0.797 0.030 2 1103 191 201 VAL C C 176.039 0.400 1 1104 191 201 VAL CA C 61.354 0.400 1 1105 191 201 VAL CB C 31.104 0.400 1 1106 191 201 VAL CG1 C 20.941 0.400 1 1107 191 201 VAL CG2 C 21.002 0.400 1 1108 191 201 VAL N N 123.793 0.400 1 1109 192 202 GLU H H 9.070 0.030 1 1110 192 202 GLU C C 176.584 0.400 1 1111 192 202 GLU CA C 56.326 0.400 1 1112 192 202 GLU CB C 29.185 0.400 1 1113 192 202 GLU N N 131.415 0.400 1 1114 193 203 GLU H H 8.889 0.030 1 1115 193 203 GLU HA H 4.006 0.030 1 1116 193 203 GLU C C 178.236 0.400 1 1117 193 203 GLU CA C 57.719 0.400 1 1118 193 203 GLU CB C 28.611 0.400 1 1119 193 203 GLU N N 130.409 0.400 1 1120 194 204 GLY H H 8.864 0.030 1 1121 194 204 GLY C C 175.512 0.400 1 1122 194 204 GLY CA C 45.845 0.400 1 1123 194 204 GLY N N 112.985 0.400 1 1124 195 205 THR H H 7.575 0.030 1 1125 195 205 THR HA H 4.281 0.030 1 1126 195 205 THR C C 176.809 0.400 1 1127 195 205 THR CA C 61.748 0.400 1 1128 195 205 THR CB C 68.967 0.400 1 1129 195 205 THR N N 109.945 0.400 1 1130 196 206 GLY H H 8.173 0.030 1 1131 196 206 GLY C C 174.056 0.400 1 1132 196 206 GLY CA C 45.218 0.400 1 1133 196 206 GLY N N 110.083 0.400 1 1134 197 207 LEU H H 7.863 0.030 1 1135 197 207 LEU HD1 H 0.724 0.030 2 1136 197 207 LEU HD2 H 0.776 0.030 2 1137 197 207 LEU C C 176.175 0.400 1 1138 197 207 LEU CA C 54.400 0.400 1 1139 197 207 LEU CB C 41.482 0.400 1 1140 197 207 LEU CD1 C 25.985 0.400 1 1141 197 207 LEU CD2 C 22.491 0.400 1 1142 197 207 LEU N N 119.669 0.400 1 1143 198 208 ARG H H 8.389 0.030 1 1144 198 208 ARG CA C 55.071 0.400 1 1145 198 208 ARG CB C 30.036 0.400 1 1146 198 208 ARG N N 119.553 0.400 1 1147 199 209 LEU H H 9.351 0.030 1 1148 199 209 LEU HD1 H 0.724 0.030 2 1149 199 209 LEU HD2 H 0.430 0.030 2 1150 199 209 LEU C C 175.828 0.400 1 1151 199 209 LEU CA C 51.872 0.400 1 1152 199 209 LEU CB C 43.409 0.400 1 1153 199 209 LEU CD1 C 25.943 0.400 1 1154 199 209 LEU CD2 C 21.393 0.400 1 1155 199 209 LEU N N 124.081 0.400 1 1156 200 210 LEU H H 7.771 0.030 1 1157 200 210 LEU HD1 H 0.815 0.030 2 1158 200 210 LEU HD2 H 0.765 0.030 2 1159 200 210 LEU C C 176.717 0.400 1 1160 200 210 LEU CA C 52.543 0.400 1 1161 200 210 LEU CB C 42.896 0.400 1 1162 200 210 LEU CD1 C 23.961 0.400 1 1163 200 210 LEU CD2 C 25.231 0.400 1 1164 200 210 LEU N N 121.132 0.400 1 1165 201 211 GLU H H 8.814 0.030 1 1166 201 211 GLU C C 175.385 0.400 1 1167 201 211 GLU CA C 56.635 0.400 1 1168 201 211 GLU CB C 31.050 0.400 1 1169 201 211 GLU N N 124.152 0.400 1 1170 202 212 ALA H H 8.727 0.030 1 1171 202 212 ALA C C 174.955 0.400 1 1172 202 212 ALA CA C 49.604 0.400 1 1173 202 212 ALA CB C 24.253 0.400 1 1174 202 212 ALA N N 120.917 0.400 1 1175 203 213 ALA H H 8.145 0.030 1 1176 203 213 ALA HA H 4.652 0.030 1 1177 203 213 ALA C C 175.575 0.400 1 1178 203 213 ALA CA C 50.717 0.400 1 1179 203 213 ALA CB C 21.555 0.400 1 1180 203 213 ALA N N 123.315 0.400 1 1181 204 214 ALA H H 8.803 0.030 1 1182 204 214 ALA HA H 4.319 0.030 1 1183 204 214 ALA HB H 1.385 0.030 1 1184 204 214 ALA C C 177.348 0.400 1 1185 204 214 ALA CA C 52.124 0.400 1 1186 204 214 ALA CB C 18.190 0.400 1 1187 204 214 ALA N N 123.912 0.400 1 1188 205 215 GLN H H 7.966 0.030 1 1189 205 215 GLN C C 180.345 0.400 1 1190 205 215 GLN CA C 56.827 0.400 1 1191 205 215 GLN CB C 29.544 0.400 1 1192 205 215 GLN N N 123.552 0.400 1 stop_ save_