data_19768 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignment and secondary structure determination of full length human Dickkopf 4 (hDkk4), a secreted, disulphide-rich Wnt inhibitor protein ; _BMRB_accession_number 19768 _BMRB_flat_file_name bmr19768.str _Entry_type original _Submission_date 2014-02-05 _Accession_date 2014-02-05 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Barkell Alice M. . 2 Holdsworth Gill . . 3 Waters Lorna C. . 4 Veverka Vaclav . . 5 Slocombe Patrick M. . 6 Muskett Frederick W. . 7 Henry Alistair J. . 8 Robinson Martyn K. . 9 Carr Mark D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 882 "13C chemical shifts" 683 "15N chemical shifts" 185 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-06-15 original BMRB . stop_ _Original_release_date 2015-06-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Resonance assignment and secondary structure determination of full length human Dickkopf 4 (hDkk4), a secreted, disulphide-rich Wnt inhibitor protein ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24816897 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Barkell Alice M. . 2 Holdsworth Gill . . 3 Waters Lorna C. . 4 Muskett Frederick W. . 5 Veverka Vaclav . . 6 Slocombe Patrick M. . 7 Henry Alistair J. . 8 Robinson Martyn K. . 9 Carr Mark D. . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 9 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 147 _Page_last 151 _Year 2015 _Details . loop_ _Keyword Dickkopf Dkk 'NMR resonance assignments' 'Wnt signalling' 'secondary structure' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name hDkk4 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label hDkk4 $hDkk4 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_hDkk4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common hDkk4 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'Secreted Wnt inhibitor protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 222 _Mol_residue_sequence ; MLVLDFNNIRSSADLHGARK GSQCLSDTDCNTRKFCLQPR DEKPFCATCRGLRRRCQRDA MCCPGTLCVNDVCTTMEDAT PILERQLDEQDGTHAEGTTG HPVQENQPKRKPSIKKSQGR KGQEGESCLRTFDCGPGLCC ARHFWTKICKPVLLEGQVCS RRGHKDTAQAPEIFQRCDCG PGLLCRSQLTSNRQHARLRV CQKIEKLENLYFQSLEHHHH HH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 LEU 3 3 VAL 4 4 LEU 5 5 ASP 6 6 PHE 7 7 ASN 8 8 ASN 9 9 ILE 10 10 ARG 11 11 SER 12 12 SER 13 13 ALA 14 14 ASP 15 15 LEU 16 16 HIS 17 17 GLY 18 18 ALA 19 19 ARG 20 20 LYS 21 21 GLY 22 22 SER 23 23 GLN 24 24 CYS 25 25 LEU 26 26 SER 27 27 ASP 28 28 THR 29 29 ASP 30 30 CYS 31 31 ASN 32 32 THR 33 33 ARG 34 34 LYS 35 35 PHE 36 36 CYS 37 37 LEU 38 38 GLN 39 39 PRO 40 40 ARG 41 41 ASP 42 42 GLU 43 43 LYS 44 44 PRO 45 45 PHE 46 46 CYS 47 47 ALA 48 48 THR 49 49 CYS 50 50 ARG 51 51 GLY 52 52 LEU 53 53 ARG 54 54 ARG 55 55 ARG 56 56 CYS 57 57 GLN 58 58 ARG 59 59 ASP 60 60 ALA 61 61 MET 62 62 CYS 63 63 CYS 64 64 PRO 65 65 GLY 66 66 THR 67 67 LEU 68 68 CYS 69 69 VAL 70 70 ASN 71 71 ASP 72 72 VAL 73 73 CYS 74 74 THR 75 75 THR 76 76 MET 77 77 GLU 78 78 ASP 79 79 ALA 80 80 THR 81 81 PRO 82 82 ILE 83 83 LEU 84 84 GLU 85 85 ARG 86 86 GLN 87 87 LEU 88 88 ASP 89 89 GLU 90 90 GLN 91 91 ASP 92 92 GLY 93 93 THR 94 94 HIS 95 95 ALA 96 96 GLU 97 97 GLY 98 98 THR 99 99 THR 100 100 GLY 101 101 HIS 102 102 PRO 103 103 VAL 104 104 GLN 105 105 GLU 106 106 ASN 107 107 GLN 108 108 PRO 109 109 LYS 110 110 ARG 111 111 LYS 112 112 PRO 113 113 SER 114 114 ILE 115 115 LYS 116 116 LYS 117 117 SER 118 118 GLN 119 119 GLY 120 120 ARG 121 121 LYS 122 122 GLY 123 123 GLN 124 124 GLU 125 125 GLY 126 126 GLU 127 127 SER 128 128 CYS 129 129 LEU 130 130 ARG 131 131 THR 132 132 PHE 133 133 ASP 134 134 CYS 135 135 GLY 136 136 PRO 137 137 GLY 138 138 LEU 139 139 CYS 140 140 CYS 141 141 ALA 142 142 ARG 143 143 HIS 144 144 PHE 145 145 TRP 146 146 THR 147 147 LYS 148 148 ILE 149 149 CYS 150 150 LYS 151 151 PRO 152 152 VAL 153 153 LEU 154 154 LEU 155 155 GLU 156 156 GLY 157 157 GLN 158 158 VAL 159 159 CYS 160 160 SER 161 161 ARG 162 162 ARG 163 163 GLY 164 164 HIS 165 165 LYS 166 166 ASP 167 167 THR 168 168 ALA 169 169 GLN 170 170 ALA 171 171 PRO 172 172 GLU 173 173 ILE 174 174 PHE 175 175 GLN 176 176 ARG 177 177 CYS 178 178 ASP 179 179 CYS 180 180 GLY 181 181 PRO 182 182 GLY 183 183 LEU 184 184 LEU 185 185 CYS 186 186 ARG 187 187 SER 188 188 GLN 189 189 LEU 190 190 THR 191 191 SER 192 192 ASN 193 193 ARG 194 194 GLN 195 195 HIS 196 196 ALA 197 197 ARG 198 198 LEU 199 199 ARG 200 200 VAL 201 201 CYS 202 202 GLN 203 203 LYS 204 204 ILE 205 205 GLU 206 206 LYS 207 207 LEU 208 208 GLU 209 209 ASN 210 210 LEU 211 211 TYR 212 212 PHE 213 213 GLN 214 214 SER 215 215 LEU 216 216 GLU 217 217 HIS 218 218 HIS 219 219 HIS 220 220 HIS 221 221 HIS 222 222 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-22 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 DBJ BAA33438 "hdkk-4 [Homo sapiens]" 92.79 224 99.51 100.00 9.22e-146 DBJ BAA33475 "hdkk-4 [Homo sapiens]" 92.79 224 100.00 100.00 2.40e-146 DBJ BAG63095 "unnamed protein product [Homo sapiens]" 52.25 139 100.00 100.00 1.24e-76 DBJ BAK63662 "dickkopf-related protein 4 precursor [Pan troglodytes]" 66.22 147 100.00 100.00 1.47e-100 GB AAF02677 "dickkopf-4 [Homo sapiens]" 92.79 224 100.00 100.00 2.40e-146 GB AAI07047 "Dickkopf homolog 4 (Xenopus laevis) [Homo sapiens]" 92.79 224 100.00 100.00 2.40e-146 GB AAI07048 "Dickkopf homolog 4 (Xenopus laevis) [Homo sapiens]" 92.79 224 100.00 100.00 2.40e-146 GB AIC51187 "DKK4, partial [synthetic construct]" 92.79 224 100.00 100.00 2.40e-146 GB EAW63220 "dickkopf homolog 4 (Xenopus laevis) [Homo sapiens]" 92.79 224 100.00 100.00 2.40e-146 REF NP_055235 "dickkopf-related protein 4 precursor [Homo sapiens]" 92.79 224 100.00 100.00 2.40e-146 REF XP_001144036 "PREDICTED: dickkopf-related protein 4 [Pan troglodytes]" 92.79 224 99.51 100.00 2.36e-145 REF XP_002819091 "PREDICTED: dickkopf-related protein 4 [Pongo abelii]" 92.79 224 99.51 99.51 2.94e-145 REF XP_003269688 "PREDICTED: dickkopf-related protein 4 [Nomascus leucogenys]" 92.79 224 97.57 98.06 2.69e-142 REF XP_003823332 "PREDICTED: dickkopf-related protein 4 [Pan paniscus]" 92.79 224 99.51 100.00 2.60e-145 SP Q9UBT3 "RecName: Full=Dickkopf-related protein 4; Short=Dickkopf-4; Short=Dkk-4; Short=hDkk-4; Contains: RecName: Full=Dickkopf-related" 92.79 224 100.00 100.00 2.40e-146 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $hDkk4 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 _Details $hDkk4 'recombinant technology' . Escherichia coli . pLEICS05 'Derived from pET-21a(+)' 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $hDkk4 . uM 200 250 '[U-99% 15N]' D2O 100 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $hDkk4 . uM 150 300 '[U-99% 15N]' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $hDkk4 . uM 200 300 '[U-99% 13C; U-99% 15N]' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $hDkk4 . uM 150 250 '[U-99% 13C]' D2O 100 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version v3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_TOCSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_TROSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_4 save_ save_3D_1H-13C_NOESY-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY-HSQC' _Sample_label $sample_4 save_ save_3D_1H-15N_TOCSY-HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY-HSQC' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY-TROSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY-TROSY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 . pH pressure 1 . atm temperature 308 . 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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.00 DSS N 15 'methyl protons' ppm 0 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 '2D 1H-1H TOCSY' '2D 1H-1H NOESY' '2D 1H-15N TROSY' '3D HNCA' '3D HNCACB' '3D HNCO' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D 1H-13C NOESY-HSQC' '3D 1H-15N TOCSY-HSQC' '3D 1H-15N NOESY-TROSY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name hDkk4 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 LEU C C 176.285 0.400 1 2 2 2 LEU CA C 55.178 0.400 1 3 2 2 LEU CB C 42.441 0.400 1 4 3 3 VAL H H 8.155 0.020 1 5 3 3 VAL HA H 3.958 0.020 1 6 3 3 VAL HB H 1.899 0.020 1 7 3 3 VAL HG1 H 0.776 0.020 2 8 3 3 VAL C C 175.626 0.400 1 9 3 3 VAL CA C 62.136 0.400 1 10 3 3 VAL CB C 32.589 0.400 1 11 3 3 VAL CG1 C 20.969 0.400 1 12 3 3 VAL N N 123.788 0.400 1 13 4 4 LEU H H 8.112 0.020 1 14 4 4 LEU HA H 4.211 0.020 1 15 4 4 LEU HB2 H 1.435 0.020 2 16 4 4 LEU HB3 H 1.292 0.020 2 17 4 4 LEU HG H 1.424 0.020 1 18 4 4 LEU HD1 H 0.767 0.020 2 19 4 4 LEU HD2 H 0.703 0.020 2 20 4 4 LEU C C 176.372 0.400 1 21 4 4 LEU CA C 54.639 0.400 1 22 4 4 LEU CB C 42.317 0.400 1 23 4 4 LEU CG C 26.994 0.400 1 24 4 4 LEU CD1 C 24.944 0.400 1 25 4 4 LEU N N 126.663 0.400 1 26 5 5 ASP H H 7.987 0.020 1 27 5 5 ASP HA H 4.463 0.020 1 28 5 5 ASP HB2 H 2.557 0.020 2 29 5 5 ASP HB3 H 2.431 0.020 2 30 5 5 ASP C C 174.761 0.400 1 31 5 5 ASP CA C 53.626 0.400 1 32 5 5 ASP CB C 41.264 0.400 1 33 5 5 ASP N N 121.219 0.400 1 34 6 6 PHE H H 8.043 0.020 1 35 6 6 PHE HA H 4.383 0.020 1 36 6 6 PHE HB2 H 3.046 0.020 2 37 6 6 PHE HB3 H 2.908 0.020 2 38 6 6 PHE HD1 H 7.123 0.020 1 39 6 6 PHE HD2 H 7.123 0.020 1 40 6 6 PHE HE1 H 7.227 0.020 1 41 6 6 PHE HE2 H 7.227 0.020 1 42 6 6 PHE HZ H 7.181 0.020 1 43 6 6 PHE C C 175.897 0.400 1 44 6 6 PHE CA C 58.215 0.400 1 45 6 6 PHE CB C 39.033 0.400 1 46 6 6 PHE N N 121.201 0.400 1 47 7 7 ASN H H 8.244 0.020 1 48 7 7 ASN HA H 4.505 0.020 1 49 7 7 ASN HB2 H 2.635 0.020 2 50 7 7 ASN HB3 H 2.635 0.020 2 51 7 7 ASN C C 175.034 0.400 1 52 7 7 ASN CA C 53.714 0.400 1 53 7 7 ASN CB C 38.737 0.400 1 54 7 7 ASN N N 119.090 0.400 1 55 8 8 ASN H H 8.016 0.020 1 56 8 8 ASN HA H 4.564 0.020 1 57 8 8 ASN HB2 H 2.718 0.020 2 58 8 8 ASN HB3 H 2.610 0.020 2 59 8 8 ASN C C 175.092 0.400 1 60 8 8 ASN CA C 53.279 0.400 1 61 8 8 ASN CB C 38.629 0.400 1 62 8 8 ASN N N 118.689 0.400 1 63 9 9 ILE H H 7.799 0.020 1 64 9 9 ILE HA H 4.021 0.020 1 65 9 9 ILE HB H 1.767 0.020 1 66 9 9 ILE HG12 H 1.340 0.020 2 67 9 9 ILE HG13 H 1.074 0.020 2 68 9 9 ILE HG2 H 0.780 0.020 1 69 9 9 ILE HD1 H 0.732 0.020 1 70 9 9 ILE C C 176.342 0.400 1 71 9 9 ILE CA C 61.457 0.400 1 72 9 9 ILE CB C 38.269 0.400 1 73 9 9 ILE CG1 C 27.221 0.400 1 74 9 9 ILE CG2 C 17.393 0.400 1 75 9 9 ILE CD1 C 12.830 0.400 1 76 9 9 ILE N N 120.663 0.400 1 77 10 10 ARG H H 8.210 0.020 1 78 10 10 ARG HA H 4.254 0.020 1 79 10 10 ARG HB2 H 1.761 0.020 2 80 10 10 ARG HB3 H 1.657 0.020 2 81 10 10 ARG HG2 H 1.505 0.020 2 82 10 10 ARG HG3 H 1.505 0.020 2 83 10 10 ARG HD2 H 3.074 0.020 2 84 10 10 ARG HD3 H 3.074 0.020 2 85 10 10 ARG C C 176.343 0.400 1 86 10 10 ARG CA C 56.059 0.400 1 87 10 10 ARG CB C 30.639 0.400 1 88 10 10 ARG CG C 27.221 0.400 1 89 10 10 ARG CD C 43.221 0.400 1 90 10 10 ARG N N 124.447 0.400 1 91 11 11 SER H H 8.165 0.020 1 92 11 11 SER HA H 4.364 0.020 1 93 11 11 SER HB2 H 3.776 0.020 2 94 11 11 SER HB3 H 3.776 0.020 2 95 11 11 SER C C 174.860 0.400 1 96 11 11 SER CA C 58.166 0.400 1 97 11 11 SER CB C 63.851 0.400 1 98 11 11 SER N N 116.878 0.400 1 99 12 12 SER H H 8.234 0.020 1 100 12 12 SER HA H 4.281 0.020 1 101 12 12 SER HB2 H 3.784 0.020 2 102 12 12 SER HB3 H 3.784 0.020 2 103 12 12 SER C C 174.660 0.400 1 104 12 12 SER CA C 58.759 0.400 1 105 12 12 SER CB C 63.596 0.400 1 106 12 12 SER N N 118.091 0.400 1 107 13 13 ALA H H 8.098 0.020 1 108 13 13 ALA HA H 4.150 0.020 1 109 13 13 ALA HB H 1.263 0.020 1 110 13 13 ALA C C 177.624 0.400 1 111 13 13 ALA CA C 52.874 0.400 1 112 13 13 ALA CB C 19.034 0.400 1 113 13 13 ALA N N 125.561 0.400 1 114 14 14 ASP H H 7.970 0.020 1 115 14 14 ASP HA H 4.452 0.020 1 116 14 14 ASP HB2 H 2.599 0.020 2 117 14 14 ASP HB3 H 2.503 0.020 2 118 14 14 ASP C C 176.493 0.400 1 119 14 14 ASP CA C 54.271 0.400 1 120 14 14 ASP CB C 41.064 0.400 1 121 14 14 ASP N N 118.917 0.400 1 122 15 15 LEU H H 7.859 0.020 1 123 15 15 LEU HA H 4.114 0.020 1 124 15 15 LEU HB2 H 1.427 0.020 2 125 15 15 LEU HB3 H 1.427 0.020 2 126 15 15 LEU HG H 1.429 0.020 1 127 15 15 LEU HD1 H 0.741 0.020 2 128 15 15 LEU HD2 H 0.691 0.020 2 129 15 15 LEU C C 177.576 0.400 1 130 15 15 LEU CA C 55.504 0.400 1 131 15 15 LEU CB C 41.859 0.400 1 132 15 15 LEU CG C 26.364 0.400 1 133 15 15 LEU N N 122.285 0.400 1 134 16 16 HIS H H 8.145 0.020 1 135 16 16 HIS HA H 4.568 0.020 1 136 16 16 HIS HB2 H 3.151 0.020 2 137 16 16 HIS HB3 H 3.047 0.020 2 138 16 16 HIS C C 175.745 0.400 1 139 16 16 HIS CA C 56.117 0.400 1 140 16 16 HIS CB C 29.579 0.400 1 141 16 16 HIS N N 118.388 0.400 1 142 17 17 GLY H H 8.116 0.020 1 143 17 17 GLY HA2 H 3.811 0.020 2 144 17 17 GLY HA3 H 3.811 0.020 2 145 17 17 GLY C C 173.983 0.400 1 146 17 17 GLY CA C 45.393 0.400 1 147 17 17 GLY N N 109.539 0.400 1 148 18 18 ALA H H 7.978 0.020 1 149 18 18 ALA HA H 4.175 0.020 1 150 18 18 ALA HB H 1.262 0.020 1 151 18 18 ALA C C 177.404 0.400 1 152 18 18 ALA CA C 52.484 0.400 1 153 18 18 ALA CB C 19.315 0.400 1 154 18 18 ALA N N 123.797 0.400 1 155 19 19 ARG H H 8.271 0.020 1 156 19 19 ARG HA H 4.248 0.020 1 157 19 19 ARG HB2 H 1.774 0.020 2 158 19 19 ARG HB3 H 1.670 0.020 2 159 19 19 ARG HG2 H 1.515 0.020 2 160 19 19 ARG HG3 H 1.515 0.020 2 161 19 19 ARG HD2 H 3.067 0.020 2 162 19 19 ARG HD3 H 3.067 0.020 2 163 19 19 ARG CA C 56.169 0.400 1 164 19 19 ARG CB C 30.464 0.400 1 165 19 19 ARG CG C 27.560 0.400 1 166 19 19 ARG CD C 43.066 0.400 1 167 19 19 ARG N N 119.685 0.400 1 168 20 20 LYS C C 176.849 0.400 1 169 20 20 LYS CA C 56.538 0.400 1 170 20 20 LYS CB C 32.753 0.400 1 171 21 21 GLY H H 7.983 0.020 1 172 21 21 GLY HA2 H 3.953 0.020 2 173 21 21 GLY HA3 H 3.953 0.020 2 174 21 21 GLY C C 173.616 0.400 1 175 21 21 GLY CA C 45.041 0.400 1 176 21 21 GLY N N 109.545 0.400 1 177 22 22 SER H H 8.186 0.020 1 178 22 22 SER HA H 4.359 0.020 1 179 22 22 SER HB2 H 3.780 0.020 2 180 22 22 SER HB3 H 3.780 0.020 2 181 22 22 SER C C 173.954 0.400 1 182 22 22 SER CA C 58.342 0.400 1 183 22 22 SER CB C 64.123 0.400 1 184 22 22 SER N N 116.038 0.400 1 185 23 23 GLN H H 8.287 0.020 1 186 23 23 GLN HA H 4.384 0.020 1 187 23 23 GLN HB2 H 1.984 0.020 2 188 23 23 GLN HB3 H 1.984 0.020 2 189 23 23 GLN HG2 H 2.344 0.020 2 190 23 23 GLN HG3 H 2.299 0.020 2 191 23 23 GLN C C 174.590 0.400 1 192 23 23 GLN CA C 56.391 0.400 1 193 23 23 GLN CB C 29.593 0.400 1 194 23 23 GLN CG C 33.994 0.400 1 195 23 23 GLN N N 121.361 0.400 1 196 24 24 CYS H H 7.134 0.020 1 197 24 24 CYS HA H 4.604 0.020 1 198 24 24 CYS HB2 H 3.041 0.020 2 199 24 24 CYS HB3 H 3.041 0.020 2 200 24 24 CYS C C 171.803 0.400 1 201 24 24 CYS CA C 53.587 0.400 1 202 24 24 CYS CB C 46.537 0.400 1 203 24 24 CYS N N 114.332 0.400 1 204 25 25 LEU H H 9.124 0.020 1 205 25 25 LEU HA H 4.418 0.020 1 206 25 25 LEU HB2 H 1.559 0.020 2 207 25 25 LEU HB3 H 1.478 0.020 2 208 25 25 LEU HG H 1.459 0.020 1 209 25 25 LEU HD1 H 0.781 0.020 2 210 25 25 LEU C C 176.534 0.400 1 211 25 25 LEU CA C 55.109 0.400 1 212 25 25 LEU CB C 43.574 0.400 1 213 25 25 LEU CG C 27.163 0.400 1 214 25 25 LEU CD1 C 24.667 0.400 1 215 25 25 LEU N N 119.507 0.400 1 216 26 26 SER H H 7.962 0.020 1 217 26 26 SER HA H 4.549 0.020 1 218 26 26 SER HB2 H 3.848 0.020 2 219 26 26 SER HB3 H 3.643 0.020 2 220 26 26 SER CA C 56.223 0.400 1 221 26 26 SER CB C 65.279 0.400 1 222 26 26 SER N N 113.631 0.400 1 223 27 27 ASP C C 178.082 0.400 1 224 27 27 ASP CA C 59.002 0.400 1 225 27 27 ASP CB C 40.688 0.400 1 226 28 28 THR H H 7.611 0.020 1 227 28 28 THR HA H 4.054 0.020 1 228 28 28 THR HB H 4.221 0.020 1 229 28 28 THR HG2 H 1.162 0.020 1 230 28 28 THR C C 175.268 0.400 1 231 28 28 THR CA C 63.670 0.400 1 232 28 28 THR CB C 68.218 0.400 1 233 28 28 THR CG2 C 22.072 0.400 1 234 28 28 THR N N 109.017 0.400 1 235 29 29 ASP H H 7.464 0.020 1 236 29 29 ASP HA H 4.495 0.020 1 237 29 29 ASP C C 176.142 0.400 1 238 29 29 ASP CA C 55.583 0.400 1 239 29 29 ASP CB C 42.085 0.400 1 240 29 29 ASP N N 119.720 0.400 1 241 30 30 CYS H H 7.447 0.020 1 242 30 30 CYS HA H 4.767 0.020 1 243 30 30 CYS HB2 H 2.843 0.020 2 244 30 30 CYS HB3 H 2.462 0.020 2 245 30 30 CYS C C 173.641 0.400 1 246 30 30 CYS CA C 52.430 0.400 1 247 30 30 CYS CB C 39.609 0.400 1 248 30 30 CYS N N 117.100 0.400 1 249 31 31 ASN H H 8.142 0.020 1 250 31 31 ASN HA H 4.532 0.020 1 251 31 31 ASN HB2 H 2.831 0.020 2 252 31 31 ASN HB3 H 2.655 0.020 2 253 31 31 ASN C C 173.715 0.400 1 254 31 31 ASN CA C 52.818 0.400 1 255 31 31 ASN CB C 39.378 0.400 1 256 31 31 ASN N N 118.576 0.400 1 257 32 32 THR H H 7.885 0.020 1 258 32 32 THR HA H 3.958 0.020 1 259 32 32 THR HB H 3.968 0.020 1 260 32 32 THR HG2 H 1.209 0.020 1 261 32 32 THR C C 174.294 0.400 1 262 32 32 THR CA C 64.218 0.400 1 263 32 32 THR CB C 68.939 0.400 1 264 32 32 THR CG2 C 21.718 0.400 1 265 32 32 THR N N 112.304 0.400 1 266 33 33 ARG H H 8.761 0.020 1 267 33 33 ARG HA H 3.696 0.020 1 268 33 33 ARG HB2 H 2.293 0.020 2 269 33 33 ARG HB3 H 2.072 0.020 2 270 33 33 ARG HG2 H 1.567 0.020 2 271 33 33 ARG HG3 H 1.305 0.020 2 272 33 33 ARG HD2 H 3.265 0.020 2 273 33 33 ARG HD3 H 3.086 0.020 2 274 33 33 ARG C C 174.458 0.400 1 275 33 33 ARG CA C 58.736 0.400 1 276 33 33 ARG CB C 28.022 0.400 1 277 33 33 ARG CG C 29.274 0.400 1 278 33 33 ARG CD C 43.046 0.400 1 279 33 33 ARG N N 116.598 0.400 1 280 34 34 LYS H H 8.021 0.020 1 281 34 34 LYS HA H 5.273 0.020 1 282 34 34 LYS HB2 H 1.799 0.020 2 283 34 34 LYS HB3 H 1.368 0.020 2 284 34 34 LYS HG2 H 1.268 0.020 2 285 34 34 LYS HG3 H 1.024 0.020 2 286 34 34 LYS HD2 H 1.364 0.020 2 287 34 34 LYS HD3 H 1.268 0.020 2 288 34 34 LYS HE2 H 2.831 0.020 2 289 34 34 LYS HE3 H 2.798 0.020 2 290 34 34 LYS C C 174.269 0.400 1 291 34 34 LYS CA C 54.979 0.400 1 292 34 34 LYS CB C 37.464 0.400 1 293 34 34 LYS CG C 26.022 0.400 1 294 34 34 LYS CD C 29.701 0.400 1 295 34 34 LYS CE C 42.424 0.400 1 296 34 34 LYS N N 119.140 0.400 1 297 35 35 PHE H H 8.668 0.020 1 298 35 35 PHE HA H 4.585 0.020 1 299 35 35 PHE HB2 H 2.782 0.020 2 300 35 35 PHE HB3 H 2.711 0.020 2 301 35 35 PHE HD1 H 6.690 0.020 1 302 35 35 PHE HD2 H 6.690 0.020 1 303 35 35 PHE HE1 H 7.180 0.020 1 304 35 35 PHE HE2 H 7.180 0.020 1 305 35 35 PHE HZ H 6.992 0.020 1 306 35 35 PHE C C 171.576 0.400 1 307 35 35 PHE CA C 55.270 0.400 1 308 35 35 PHE CB C 40.082 0.400 1 309 35 35 PHE N N 116.632 0.400 1 310 36 36 CYS H H 9.650 0.020 1 311 36 36 CYS HA H 4.413 0.020 1 312 36 36 CYS HB2 H 2.598 0.020 2 313 36 36 CYS HB3 H 2.473 0.020 2 314 36 36 CYS C C 172.058 0.400 1 315 36 36 CYS CA C 54.900 0.400 1 316 36 36 CYS CB C 38.544 0.400 1 317 36 36 CYS N N 122.059 0.400 1 318 37 37 LEU H H 8.377 0.020 1 319 37 37 LEU HA H 4.250 0.020 1 320 37 37 LEU HB2 H 0.861 0.020 2 321 37 37 LEU HB3 H 0.620 0.020 2 322 37 37 LEU HG H 1.085 0.020 1 323 37 37 LEU HD1 H 0.604 0.020 2 324 37 37 LEU C C 174.901 0.400 1 325 37 37 LEU CA C 54.534 0.400 1 326 37 37 LEU CB C 42.844 0.400 1 327 37 37 LEU CG C 27.645 0.400 1 328 37 37 LEU CD1 C 25.577 0.400 1 329 37 37 LEU N N 135.957 0.400 1 330 38 38 GLN H H 8.119 0.020 1 331 38 38 GLN CA C 52.532 0.400 1 332 38 38 GLN N N 125.039 0.400 1 333 39 39 PRO C C 176.598 0.400 1 334 39 39 PRO CA C 61.430 0.400 1 335 39 39 PRO CB C 32.183 0.400 1 336 40 40 ARG H H 8.440 0.020 1 337 40 40 ARG HA H 3.968 0.020 1 338 40 40 ARG HB2 H 1.696 0.020 2 339 40 40 ARG HB3 H 1.697 0.020 2 340 40 40 ARG HG2 H 1.563 0.020 2 341 40 40 ARG HG3 H 1.515 0.020 2 342 40 40 ARG HD2 H 3.089 0.020 2 343 40 40 ARG HD3 H 3.089 0.020 2 344 40 40 ARG C C 177.162 0.400 1 345 40 40 ARG CA C 58.034 0.400 1 346 40 40 ARG CB C 29.919 0.400 1 347 40 40 ARG CG C 26.576 0.400 1 348 40 40 ARG CD C 43.115 0.400 1 349 40 40 ARG N N 120.593 0.400 1 350 41 41 ASP H H 8.453 0.020 1 351 41 41 ASP HA H 4.444 0.020 1 352 41 41 ASP HB2 H 2.683 0.020 2 353 41 41 ASP HB3 H 2.683 0.020 2 354 41 41 ASP C C 174.862 0.400 1 355 41 41 ASP CA C 54.740 0.400 1 356 41 41 ASP CB C 40.598 0.400 1 357 41 41 ASP N N 117.504 0.400 1 358 42 42 GLU H H 7.233 0.020 1 359 42 42 GLU HA H 4.464 0.020 1 360 42 42 GLU HB2 H 1.721 0.020 2 361 42 42 GLU HB3 H 1.621 0.020 2 362 42 42 GLU HG2 H 2.132 0.020 2 363 42 42 GLU HG3 H 2.132 0.020 2 364 42 42 GLU C C 175.037 0.400 1 365 42 42 GLU CA C 54.639 0.400 1 366 42 42 GLU CB C 33.116 0.400 1 367 42 42 GLU N N 117.040 0.400 1 368 43 43 LYS H H 8.298 0.020 1 369 43 43 LYS CA C 54.686 0.400 1 370 43 43 LYS CB C 31.628 0.400 1 371 43 43 LYS N N 121.479 0.400 1 372 44 44 PRO HA H 4.865 0.020 1 373 44 44 PRO HB2 H 2.119 0.020 2 374 44 44 PRO HB3 H 2.043 0.020 2 375 44 44 PRO HG2 H 2.112 0.020 2 376 44 44 PRO HG3 H 1.883 0.020 2 377 44 44 PRO HD2 H 3.595 0.020 2 378 44 44 PRO C C 176.238 0.400 1 379 44 44 PRO CA C 63.054 0.400 1 380 44 44 PRO CB C 32.854 0.400 1 381 44 44 PRO CG C 28.164 0.400 1 382 45 45 PHE H H 8.092 0.020 1 383 45 45 PHE HA H 4.949 0.020 1 384 45 45 PHE HB2 H 2.916 0.020 2 385 45 45 PHE HB3 H 2.680 0.020 2 386 45 45 PHE HD1 H 7.050 0.020 1 387 45 45 PHE HD2 H 7.050 0.020 1 388 45 45 PHE HE1 H 6.575 0.020 1 389 45 45 PHE HE2 H 6.575 0.020 1 390 45 45 PHE HZ H 7.015 0.020 1 391 45 45 PHE C C 173.382 0.400 1 392 45 45 PHE CA C 55.597 0.400 1 393 45 45 PHE CB C 41.587 0.400 1 394 45 45 PHE N N 117.089 0.400 1 395 46 46 CYS H H 8.419 0.020 1 396 46 46 CYS HA H 4.925 0.020 1 397 46 46 CYS HB2 H 2.785 0.020 2 398 46 46 CYS HB3 H 2.483 0.020 2 399 46 46 CYS C C 173.400 0.400 1 400 46 46 CYS CA C 54.424 0.400 1 401 46 46 CYS CB C 39.562 0.400 1 402 46 46 CYS N N 117.727 0.400 1 403 47 47 ALA H H 8.902 0.020 1 404 47 47 ALA HA H 4.507 0.020 1 405 47 47 ALA HB H 0.568 0.020 1 406 47 47 ALA C C 175.708 0.400 1 407 47 47 ALA CA C 49.902 0.400 1 408 47 47 ALA CB C 22.513 0.400 1 409 47 47 ALA N N 132.030 0.400 1 410 48 48 THR H H 8.154 0.020 1 411 48 48 THR HA H 4.037 0.020 1 412 48 48 THR HB H 4.041 0.020 1 413 48 48 THR HG2 H 1.463 0.020 1 414 48 48 THR C C 177.198 0.400 1 415 48 48 THR CA C 63.924 0.400 1 416 48 48 THR CB C 69.344 0.400 1 417 48 48 THR CG2 C 22.321 0.400 1 418 48 48 THR N N 114.852 0.400 1 419 49 49 CYS H H 8.125 0.020 1 420 49 49 CYS HA H 4.397 0.020 1 421 49 49 CYS HB2 H 3.172 0.020 2 422 49 49 CYS HB3 H 2.631 0.020 2 423 49 49 CYS C C 172.918 0.400 1 424 49 49 CYS CA C 55.419 0.400 1 425 49 49 CYS CB C 42.760 0.400 1 426 49 49 CYS N N 120.968 0.400 1 427 50 50 ARG H H 9.394 0.020 1 428 50 50 ARG HA H 4.311 0.020 1 429 50 50 ARG C C 175.757 0.400 1 430 50 50 ARG CA C 55.231 0.400 1 431 50 50 ARG CB C 30.935 0.400 1 432 50 50 ARG N N 121.558 0.400 1 433 51 51 GLY H H 8.177 0.020 1 434 51 51 GLY HA2 H 3.885 0.020 2 435 51 51 GLY HA3 H 3.647 0.020 2 436 51 51 GLY C C 172.381 0.400 1 437 51 51 GLY CA C 43.374 0.400 1 438 51 51 GLY N N 108.624 0.400 1 439 52 52 LEU H H 7.671 0.020 1 440 52 52 LEU HA H 3.601 0.020 1 441 52 52 LEU HB2 H 1.478 0.020 2 442 52 52 LEU HB3 H 1.354 0.020 2 443 52 52 LEU HG H 1.574 0.020 1 444 52 52 LEU HD1 H 0.861 0.020 2 445 52 52 LEU HD2 H 0.788 0.020 2 446 52 52 LEU C C 178.519 0.400 1 447 52 52 LEU CA C 56.402 0.400 1 448 52 52 LEU CB C 42.464 0.400 1 449 52 52 LEU CG C 26.892 0.400 1 450 52 52 LEU CD1 C 24.744 0.400 1 451 52 52 LEU N N 117.252 0.400 1 452 53 53 ARG H H 8.796 0.020 1 453 53 53 ARG HA H 3.500 0.020 1 454 53 53 ARG HB2 H 2.138 0.020 2 455 53 53 ARG HB3 H 1.976 0.020 2 456 53 53 ARG HG2 H 1.544 0.020 2 457 53 53 ARG HG3 H 1.544 0.020 2 458 53 53 ARG HD2 H 3.149 0.020 2 459 53 53 ARG HD3 H 3.064 0.020 2 460 53 53 ARG C C 175.320 0.400 1 461 53 53 ARG CA C 58.503 0.400 1 462 53 53 ARG CB C 27.757 0.400 1 463 53 53 ARG CG C 28.291 0.400 1 464 53 53 ARG CD C 42.944 0.400 1 465 53 53 ARG N N 114.226 0.400 1 466 54 54 ARG H H 7.429 0.020 1 467 54 54 ARG HA H 4.363 0.020 1 468 54 54 ARG HB2 H 1.737 0.020 2 469 54 54 ARG HB3 H 1.737 0.020 2 470 54 54 ARG HD2 H 3.088 0.020 2 471 54 54 ARG HD3 H 3.088 0.020 2 472 54 54 ARG C C 175.287 0.400 1 473 54 54 ARG CA C 53.959 0.400 1 474 54 54 ARG CB C 30.152 0.400 1 475 54 54 ARG N N 118.622 0.400 1 476 55 55 ARG H H 8.117 0.020 1 477 55 55 ARG C C 175.176 0.400 1 478 55 55 ARG CA C 56.101 0.400 1 479 55 55 ARG CB C 30.481 0.400 1 480 55 55 ARG N N 119.501 0.400 1 481 56 56 CYS H H 8.101 0.020 1 482 56 56 CYS HA H 4.447 0.020 1 483 56 56 CYS HB2 H 2.739 0.020 2 484 56 56 CYS HB3 H 2.739 0.020 2 485 56 56 CYS C C 171.865 0.400 1 486 56 56 CYS CA C 53.453 0.400 1 487 56 56 CYS CB C 47.144 0.400 1 488 56 56 CYS N N 116.506 0.400 1 489 57 57 GLN H H 7.672 0.020 1 490 57 57 GLN C C 174.585 0.400 1 491 57 57 GLN CA C 55.359 0.400 1 492 57 57 GLN CB C 31.191 0.400 1 493 57 57 GLN N N 117.245 0.400 1 494 58 58 ARG H H 7.021 0.020 1 495 58 58 ARG HA H 4.582 0.020 1 496 58 58 ARG C C 176.233 0.400 1 497 58 58 ARG CA C 53.993 0.400 1 498 58 58 ARG CB C 30.633 0.400 1 499 58 58 ARG N N 112.851 0.400 1 500 59 59 ASP H H 8.920 0.020 1 501 59 59 ASP HA H 4.569 0.020 1 502 59 59 ASP C C 178.489 0.400 1 503 59 59 ASP CA C 58.949 0.400 1 504 59 59 ASP CB C 40.518 0.400 1 505 59 59 ASP N N 124.146 0.400 1 506 60 60 ALA H H 8.412 0.020 1 507 60 60 ALA HA H 3.978 0.020 1 508 60 60 ALA HB H 1.257 0.020 1 509 60 60 ALA C C 177.284 0.400 1 510 60 60 ALA CA C 53.915 0.400 1 511 60 60 ALA CB C 18.937 0.400 1 512 60 60 ALA N N 118.946 0.400 1 513 61 61 MET H H 6.806 0.020 1 514 61 61 MET HA H 2.957 0.020 1 515 61 61 MET C C 175.470 0.400 1 516 61 61 MET CA C 56.748 0.400 1 517 61 61 MET CB C 33.461 0.400 1 518 61 61 MET N N 109.787 0.400 1 519 62 62 CYS H H 7.666 0.020 1 520 62 62 CYS HA H 4.867 0.020 1 521 62 62 CYS HB2 H 3.625 0.020 2 522 62 62 CYS HB3 H 2.266 0.020 2 523 62 62 CYS C C 174.713 0.400 1 524 62 62 CYS CA C 52.994 0.400 1 525 62 62 CYS CB C 38.163 0.400 1 526 62 62 CYS N N 117.579 0.400 1 527 63 63 CYS H H 7.721 0.020 1 528 63 63 CYS HA H 4.632 0.020 1 529 63 63 CYS HB2 H 3.084 0.020 2 530 63 63 CYS HB3 H 2.590 0.020 2 531 63 63 CYS CA C 53.075 0.400 1 532 63 63 CYS CB C 37.121 0.400 1 533 63 63 CYS N N 118.969 0.400 1 534 64 64 PRO C C 176.259 0.400 1 535 64 64 PRO CA C 64.654 0.400 1 536 65 65 GLY H H 8.784 0.020 1 537 65 65 GLY HA2 H 4.298 0.020 2 538 65 65 GLY HA3 H 3.534 0.020 2 539 65 65 GLY C C 173.699 0.400 1 540 65 65 GLY CA C 44.489 0.400 1 541 65 65 GLY N N 112.620 0.400 1 542 66 66 THR H H 7.945 0.020 1 543 66 66 THR HA H 4.809 0.020 1 544 66 66 THR HB H 3.833 0.020 1 545 66 66 THR HG2 H 0.804 0.020 1 546 66 66 THR C C 171.347 0.400 1 547 66 66 THR CA C 59.299 0.400 1 548 66 66 THR CB C 72.492 0.400 1 549 66 66 THR CG2 C 22.615 0.400 1 550 66 66 THR N N 111.073 0.400 1 551 67 67 LEU H H 8.815 0.020 1 552 67 67 LEU HA H 4.429 0.020 1 553 67 67 LEU HB2 H 1.329 0.020 2 554 67 67 LEU HB3 H 1.241 0.020 2 555 67 67 LEU HG H 1.317 0.020 1 556 67 67 LEU HD1 H 0.683 0.020 2 557 67 67 LEU C C 174.841 0.400 1 558 67 67 LEU CA C 53.212 0.400 1 559 67 67 LEU CB C 45.667 0.400 1 560 67 67 LEU CG C 26.839 0.400 1 561 67 67 LEU CD1 C 22.602 0.400 1 562 67 67 LEU N N 119.708 0.400 1 563 68 68 CYS H H 9.204 0.020 1 564 68 68 CYS HA H 4.606 0.020 1 565 68 68 CYS HB2 H 2.784 0.020 2 566 68 68 CYS HB3 H 2.460 0.020 2 567 68 68 CYS C C 173.517 0.400 1 568 68 68 CYS CA C 55.764 0.400 1 569 68 68 CYS CB C 39.549 0.400 1 570 68 68 CYS N N 122.073 0.400 1 571 69 69 VAL H H 8.290 0.020 1 572 69 69 VAL HA H 4.131 0.020 1 573 69 69 VAL HB H 1.842 0.020 1 574 69 69 VAL HG1 H 0.684 0.020 2 575 69 69 VAL HG2 H 0.673 0.020 2 576 69 69 VAL C C 175.594 0.400 1 577 69 69 VAL CA C 61.534 0.400 1 578 69 69 VAL CB C 33.775 0.400 1 579 69 69 VAL CG1 C 20.664 0.400 1 580 69 69 VAL CG2 C 20.941 0.400 1 581 69 69 VAL N N 130.832 0.400 1 582 70 70 ASN H H 9.107 0.020 1 583 70 70 ASN HA H 4.120 0.020 1 584 70 70 ASN HB2 H 2.878 0.020 2 585 70 70 ASN HB3 H 2.694 0.020 2 586 70 70 ASN C C 174.097 0.400 1 587 70 70 ASN CA C 54.731 0.400 1 588 70 70 ASN CB C 36.994 0.400 1 589 70 70 ASN N N 126.070 0.400 1 590 71 71 ASP H H 8.061 0.020 1 591 71 71 ASP HA H 4.131 0.020 1 592 71 71 ASP HB2 H 3.103 0.020 2 593 71 71 ASP HB3 H 2.915 0.020 2 594 71 71 ASP C C 175.683 0.400 1 595 71 71 ASP CA C 55.965 0.400 1 596 71 71 ASP CB C 39.055 0.400 1 597 71 71 ASP N N 108.031 0.400 1 598 72 72 VAL H H 7.425 0.020 1 599 72 72 VAL HA H 4.877 0.020 1 600 72 72 VAL HB H 1.585 0.020 1 601 72 72 VAL HG1 H 0.676 0.020 2 602 72 72 VAL C C 177.450 0.400 1 603 72 72 VAL CA C 60.186 0.400 1 604 72 72 VAL CB C 36.593 0.400 1 605 72 72 VAL CG1 C 20.015 0.400 1 606 72 72 VAL CG2 C 22.139 0.400 1 607 72 72 VAL N N 114.624 0.400 1 608 73 73 CYS H H 8.529 0.020 1 609 73 73 CYS HA H 4.995 0.020 1 610 73 73 CYS HB2 H 2.955 0.020 2 611 73 73 CYS HB3 H 2.601 0.020 2 612 73 73 CYS C C 176.345 0.400 1 613 73 73 CYS CA C 55.111 0.400 1 614 73 73 CYS CB C 37.619 0.400 1 615 73 73 CYS N N 124.698 0.400 1 616 74 74 THR H H 9.746 0.020 1 617 74 74 THR HA H 4.580 0.020 1 618 74 74 THR HB H 3.769 0.020 1 619 74 74 THR HG2 H 1.201 0.020 1 620 74 74 THR C C 176.455 0.400 1 621 74 74 THR CA C 62.015 0.400 1 622 74 74 THR CB C 72.316 0.400 1 623 74 74 THR CG2 C 19.956 0.400 1 624 74 74 THR N N 123.603 0.400 1 625 75 75 THR H H 8.475 0.020 1 626 75 75 THR HA H 4.120 0.020 1 627 75 75 THR HB H 4.252 0.020 1 628 75 75 THR HG2 H 1.242 0.020 1 629 75 75 THR C C 174.464 0.400 1 630 75 75 THR CA C 62.694 0.400 1 631 75 75 THR CB C 69.644 0.400 1 632 75 75 THR CG2 C 22.701 0.400 1 633 75 75 THR N N 119.333 0.400 1 634 76 76 MET H H 8.118 0.020 1 635 76 76 MET C C 176.973 0.400 1 636 76 76 MET CA C 56.767 0.400 1 637 76 76 MET CB C 32.424 0.400 1 638 76 76 MET N N 122.325 0.400 1 639 77 77 GLU H H 8.535 0.020 1 640 77 77 GLU HA H 4.033 0.020 1 641 77 77 GLU HB2 H 1.842 0.020 2 642 77 77 GLU HB3 H 1.842 0.020 2 643 77 77 GLU HG2 H 2.141 0.020 2 644 77 77 GLU HG3 H 2.141 0.020 2 645 77 77 GLU C C 176.783 0.400 1 646 77 77 GLU CA C 57.812 0.400 1 647 77 77 GLU CB C 29.730 0.400 1 648 77 77 GLU N N 120.939 0.400 1 649 78 78 ASP H H 7.874 0.020 1 650 78 78 ASP HA H 4.452 0.020 1 651 78 78 ASP HB2 H 2.526 0.020 2 652 78 78 ASP HB3 H 2.526 0.020 2 653 78 78 ASP C C 176.272 0.400 1 654 78 78 ASP CA C 54.514 0.400 1 655 78 78 ASP CB C 40.814 0.400 1 656 78 78 ASP N N 120.258 0.400 1 657 79 79 ALA H H 7.969 0.020 1 658 79 79 ALA HA H 4.174 0.020 1 659 79 79 ALA HB H 1.256 0.020 1 660 79 79 ALA C C 177.596 0.400 1 661 79 79 ALA CA C 52.570 0.400 1 662 79 79 ALA CB C 19.565 0.400 1 663 79 79 ALA N N 123.298 0.400 1 664 80 80 THR H H 7.832 0.020 1 665 80 80 THR HA H 4.220 0.020 1 666 80 80 THR HB H 4.062 0.020 1 667 80 80 THR HG2 H 1.115 0.020 1 668 80 80 THR CA C 62.153 0.400 1 669 80 80 THR CB C 69.435 0.400 1 670 80 80 THR N N 115.684 0.400 1 671 81 81 PRO C C 177.205 0.400 1 672 81 81 PRO CA C 63.599 0.400 1 673 81 81 PRO CB C 31.759 0.400 1 674 82 82 ILE H H 7.756 0.020 1 675 82 82 ILE HA H 3.979 0.020 1 676 82 82 ILE HB H 1.632 0.020 1 677 82 82 ILE HG12 H 1.183 0.020 2 678 82 82 ILE HG13 H 0.978 0.020 2 679 82 82 ILE HG2 H 0.621 0.020 1 680 82 82 ILE HD1 H 0.652 0.020 1 681 82 82 ILE C C 176.722 0.400 1 682 82 82 ILE CA C 61.615 0.400 1 683 82 82 ILE CB C 38.542 0.400 1 684 82 82 ILE CG1 C 26.951 0.400 1 685 82 82 ILE CG2 C 17.311 0.400 1 686 82 82 ILE CD1 C 12.868 0.400 1 687 82 82 ILE N N 120.386 0.400 1 688 83 83 LEU H H 8.049 0.020 1 689 83 83 LEU HA H 4.162 0.020 1 690 83 83 LEU HB2 H 1.536 0.020 2 691 83 83 LEU HB3 H 1.425 0.020 2 692 83 83 LEU HG H 1.284 0.020 1 693 83 83 LEU HD1 H 0.741 0.020 2 694 83 83 LEU HD2 H 0.691 0.020 2 695 83 83 LEU C C 177.647 0.400 1 696 83 83 LEU CA C 55.544 0.400 1 697 83 83 LEU CB C 41.624 0.400 1 698 83 83 LEU CD1 C 22.773 0.400 1 699 83 83 LEU N N 124.736 0.400 1 700 84 84 GLU H H 8.239 0.020 1 701 84 84 GLU HA H 4.080 0.020 1 702 84 84 GLU HB2 H 1.875 0.020 2 703 84 84 GLU HB3 H 1.875 0.020 2 704 84 84 GLU HG2 H 2.181 0.020 2 705 84 84 GLU HG3 H 2.103 0.020 2 706 84 84 GLU C C 176.590 0.400 1 707 84 84 GLU CA C 57.049 0.400 1 708 84 84 GLU CB C 29.960 0.400 1 709 84 84 GLU CG C 35.834 0.400 1 710 84 84 GLU N N 120.574 0.400 1 711 85 85 ARG H H 7.878 0.020 1 712 85 85 ARG HA H 4.177 0.020 1 713 85 85 ARG HB2 H 1.754 0.020 2 714 85 85 ARG HB3 H 1.704 0.020 2 715 85 85 ARG HG2 H 1.538 0.020 2 716 85 85 ARG HG3 H 1.538 0.020 2 717 85 85 ARG CA C 56.347 0.400 1 718 85 85 ARG CB C 30.684 0.400 1 719 85 85 ARG N N 121.015 0.400 1 720 88 88 ASP C C 176.434 0.400 1 721 88 88 ASP CA C 54.326 0.400 1 722 88 88 ASP CB C 41.165 0.400 1 723 89 89 GLU H H 8.134 0.020 1 724 89 89 GLU HA H 4.148 0.020 1 725 89 89 GLU HB2 H 1.948 0.020 2 726 89 89 GLU HB3 H 1.846 0.020 2 727 89 89 GLU HG2 H 2.144 0.020 2 728 89 89 GLU HG3 H 2.145 0.020 2 729 89 89 GLU C C 176.712 0.400 1 730 89 89 GLU CA C 56.825 0.400 1 731 89 89 GLU CB C 30.167 0.400 1 732 89 89 GLU CG C 36.081 0.400 1 733 89 89 GLU N N 120.918 0.400 1 734 90 90 GLN H H 8.210 0.020 1 735 90 90 GLN HA H 4.185 0.020 1 736 90 90 GLN HB2 H 2.029 0.020 2 737 90 90 GLN HB3 H 1.897 0.020 2 738 90 90 GLN HG2 H 2.248 0.020 2 739 90 90 GLN HG3 H 2.248 0.020 2 740 90 90 GLN C C 175.902 0.400 1 741 90 90 GLN CA C 55.872 0.400 1 742 90 90 GLN CB C 29.261 0.400 1 743 90 90 GLN CG C 33.928 0.400 1 744 90 90 GLN N N 120.489 0.400 1 745 91 91 ASP H H 8.186 0.020 1 746 91 91 ASP HA H 4.516 0.020 1 747 91 91 ASP HB2 H 2.611 0.020 2 748 91 91 ASP HB3 H 2.611 0.020 2 749 91 91 ASP C C 176.847 0.400 1 750 91 91 ASP CA C 54.338 0.400 1 751 91 91 ASP CB C 41.150 0.400 1 752 91 91 ASP N N 121.255 0.400 1 753 92 92 GLY H H 8.212 0.020 1 754 92 92 GLY HA2 H 3.872 0.020 2 755 92 92 GLY HA3 H 3.872 0.020 2 756 92 92 GLY C C 174.698 0.400 1 757 92 92 GLY CA C 45.449 0.400 1 758 92 92 GLY N N 109.598 0.400 1 759 93 93 THR H H 7.952 0.020 1 760 93 93 THR HA H 4.141 0.020 1 761 93 93 THR HB H 4.043 0.020 1 762 93 93 THR HG2 H 1.031 0.020 1 763 93 93 THR C C 176.223 0.400 1 764 93 93 THR CA C 62.410 0.400 1 765 93 93 THR CB C 69.644 0.400 1 766 93 93 THR CG2 C 21.353 0.400 1 767 93 93 THR N N 113.429 0.400 1 768 94 94 HIS H H 8.296 0.020 1 769 94 94 HIS C C 174.942 0.400 1 770 94 94 HIS CA C 55.625 0.400 1 771 94 94 HIS CB C 30.000 0.400 1 772 94 94 HIS N N 124.575 0.400 1 773 95 95 ALA H H 8.025 0.020 1 774 95 95 ALA HA H 4.215 0.020 1 775 95 95 ALA HB H 1.282 0.020 1 776 95 95 ALA C C 177.599 0.400 1 777 95 95 ALA CA C 52.457 0.400 1 778 95 95 ALA CB C 19.294 0.400 1 779 95 95 ALA N N 124.333 0.400 1 780 96 96 GLU H H 8.407 0.020 1 781 96 96 GLU HA H 4.169 0.020 1 782 96 96 GLU HB2 H 1.970 0.020 2 783 96 96 GLU HB3 H 1.861 0.020 2 784 96 96 GLU HG2 H 2.179 0.020 2 785 96 96 GLU HG3 H 2.183 0.020 2 786 96 96 GLU C C 177.106 0.400 1 787 96 96 GLU CA C 56.743 0.400 1 788 96 96 GLU CB C 30.167 0.400 1 789 96 96 GLU CG C 35.852 0.400 1 790 96 96 GLU N N 120.829 0.400 1 791 97 97 GLY H H 8.307 0.020 1 792 97 97 GLY HA2 H 3.917 0.020 2 793 97 97 GLY HA3 H 3.917 0.020 2 794 97 97 GLY C C 174.549 0.400 1 795 97 97 GLY CA C 45.318 0.400 1 796 97 97 GLY N N 110.020 0.400 1 797 98 98 THR H H 7.942 0.020 1 798 98 98 THR HA H 4.324 0.020 1 799 98 98 THR HB H 4.167 0.020 1 800 98 98 THR HG2 H 1.073 0.020 1 801 98 98 THR C C 175.047 0.400 1 802 98 98 THR CA C 61.621 0.400 1 803 98 98 THR CB C 69.821 0.400 1 804 98 98 THR CG2 C 20.993 0.400 1 805 98 98 THR N N 113.203 0.400 1 806 99 99 THR H H 8.042 0.020 1 807 99 99 THR HA H 4.212 0.020 1 808 99 99 THR HB H 4.097 0.020 1 809 99 99 THR HG2 H 1.074 0.020 1 810 99 99 THR C C 175.032 0.400 1 811 99 99 THR CA C 62.026 0.400 1 812 99 99 THR CB C 69.576 0.400 1 813 99 99 THR CG2 C 21.513 0.400 1 814 99 99 THR N N 115.808 0.400 1 815 100 100 GLY H H 8.228 0.020 1 816 100 100 GLY HA2 H 3.784 0.020 2 817 100 100 GLY HA3 H 3.784 0.020 2 818 100 100 GLY C C 173.434 0.400 1 819 100 100 GLY CA C 44.992 0.400 1 820 100 100 GLY N N 111.058 0.400 1 821 101 101 HIS H H 8.019 0.020 1 822 101 101 HIS HA H 4.826 0.020 1 823 101 101 HIS HB2 H 3.075 0.020 2 824 101 101 HIS HB3 H 2.950 0.020 2 825 101 101 HIS CA C 53.484 0.400 1 826 101 101 HIS CB C 29.394 0.400 1 827 101 101 HIS N N 119.396 0.400 1 828 102 102 PRO HA H 4.377 0.020 1 829 102 102 PRO HB2 H 2.176 0.020 2 830 102 102 PRO HB3 H 1.780 0.020 2 831 102 102 PRO HG2 H 1.874 0.020 2 832 102 102 PRO HG3 H 1.874 0.020 2 833 102 102 PRO HD2 H 3.593 0.020 2 834 102 102 PRO HD3 H 3.473 0.020 2 835 102 102 PRO C C 176.962 0.400 1 836 102 102 PRO CA C 63.153 0.400 1 837 102 102 PRO CB C 32.014 0.400 1 838 102 102 PRO CG C 27.264 0.400 1 839 102 102 PRO CD C 50.608 0.400 1 840 103 103 VAL H H 8.188 0.020 1 841 103 103 VAL HA H 3.983 0.020 1 842 103 103 VAL HB H 1.952 0.020 1 843 103 103 VAL HG1 H 0.848 0.020 2 844 103 103 VAL HG2 H 0.823 0.020 2 845 103 103 VAL C C 176.238 0.400 1 846 103 103 VAL CA C 62.377 0.400 1 847 103 103 VAL CB C 32.683 0.400 1 848 103 103 VAL CG1 C 21.116 0.400 1 849 103 103 VAL CG2 C 20.662 0.400 1 850 103 103 VAL N N 120.876 0.400 1 851 104 104 GLN H H 8.294 0.020 1 852 104 104 GLN HA H 4.238 0.020 1 853 104 104 GLN HB2 H 1.972 0.020 2 854 104 104 GLN HB3 H 1.884 0.020 2 855 104 104 GLN HG2 H 2.238 0.020 2 856 104 104 GLN HG3 H 2.239 0.020 2 857 104 104 GLN C C 175.819 0.400 1 858 104 104 GLN CA C 55.636 0.400 1 859 104 104 GLN CB C 29.477 0.400 1 860 104 104 GLN CG C 33.340 0.400 1 861 104 104 GLN N N 124.005 0.400 1 862 105 105 GLU H H 8.332 0.020 1 863 105 105 GLU HA H 4.158 0.020 1 864 105 105 GLU HB2 H 1.921 0.020 2 865 105 105 GLU HB3 H 1.838 0.020 2 866 105 105 GLU HG2 H 2.147 0.020 2 867 105 105 GLU HG3 H 2.147 0.020 2 868 105 105 GLU C C 176.111 0.400 1 869 105 105 GLU CA C 56.586 0.400 1 870 105 105 GLU CB C 30.268 0.400 1 871 105 105 GLU N N 122.599 0.400 1 872 106 106 ASN H H 8.345 0.020 1 873 106 106 ASN HA H 4.564 0.020 1 874 106 106 ASN HB2 H 2.691 0.020 2 875 106 106 ASN HB3 H 2.618 0.020 2 876 106 106 ASN C C 173.971 0.400 1 877 106 106 ASN CA C 53.214 0.400 1 878 106 106 ASN CB C 38.924 0.400 1 879 106 106 ASN N N 119.653 0.400 1 880 107 107 GLN H H 7.826 0.020 1 881 107 107 GLN HA H 4.321 0.020 1 882 107 107 GLN HB2 H 1.899 0.020 2 883 107 107 GLN HB3 H 1.723 0.020 2 884 107 107 GLN HG2 H 2.207 0.020 2 885 107 107 GLN HG3 H 2.207 0.020 2 886 107 107 GLN CA C 53.107 0.400 1 887 107 107 GLN CB C 29.944 0.400 1 888 107 107 GLN N N 118.953 0.400 1 889 108 108 PRO HA H 4.295 0.020 1 890 108 108 PRO HB2 H 2.176 0.020 2 891 108 108 PRO HB3 H 1.772 0.020 2 892 108 108 PRO HG2 H 1.889 0.020 2 893 108 108 PRO HG3 H 1.889 0.020 2 894 108 108 PRO HD2 H 3.633 0.020 2 895 108 108 PRO HD3 H 3.540 0.020 2 896 108 108 PRO C C 176.824 0.400 1 897 108 108 PRO CA C 63.097 0.400 1 898 108 108 PRO CB C 31.966 0.400 1 899 108 108 PRO CG C 27.265 0.400 1 900 108 108 PRO CD C 50.574 0.400 1 901 109 109 LYS H H 8.248 0.020 1 902 109 109 LYS HA H 4.163 0.020 1 903 109 109 LYS HB2 H 1.663 0.020 2 904 109 109 LYS HB3 H 1.663 0.020 2 905 109 109 LYS HG2 H 1.350 0.020 2 906 109 109 LYS HG3 H 1.350 0.020 2 907 109 109 LYS C C 176.558 0.400 1 908 109 109 LYS CA C 56.086 0.400 1 909 109 109 LYS CB C 32.761 0.400 1 910 109 109 LYS N N 121.625 0.400 1 911 110 110 ARG H H 8.107 0.020 1 912 110 110 ARG HA H 4.220 0.020 1 913 110 110 ARG HB2 H 1.647 0.020 2 914 110 110 ARG HB3 H 1.647 0.020 2 915 110 110 ARG HG2 H 1.493 0.020 2 916 110 110 ARG HG3 H 1.493 0.020 2 917 110 110 ARG HD2 H 3.068 0.020 2 918 110 110 ARG HD3 H 3.068 0.020 2 919 110 110 ARG C C 175.911 0.400 1 920 110 110 ARG CA C 55.624 0.400 1 921 110 110 ARG CB C 30.977 0.400 1 922 110 110 ARG CG C 27.221 0.400 1 923 110 110 ARG CD C 43.761 0.400 1 924 110 110 ARG N N 122.396 0.400 1 925 111 111 LYS H H 8.246 0.020 1 926 111 111 LYS HA H 4.466 0.020 1 927 111 111 LYS HB2 H 1.717 0.020 2 928 111 111 LYS HB3 H 1.604 0.020 2 929 111 111 LYS HG2 H 1.388 0.020 2 930 111 111 LYS HG3 H 1.351 0.020 2 931 111 111 LYS HD2 H 1.591 0.020 2 932 111 111 LYS HD3 H 1.591 0.020 2 933 111 111 LYS HE2 H 2.897 0.020 2 934 111 111 LYS HE3 H 2.897 0.020 2 935 111 111 LYS CA C 54.141 0.400 1 936 111 111 LYS CB C 32.354 0.400 1 937 111 111 LYS CD C 28.628 0.400 1 938 111 111 LYS N N 124.527 0.400 1 939 112 112 PRO C C 176.776 0.400 1 940 112 112 PRO CA C 62.923 0.400 1 941 112 112 PRO CB C 32.001 0.400 1 942 113 113 SER H H 8.256 0.020 1 943 113 113 SER HA H 4.354 0.020 1 944 113 113 SER HB2 H 3.739 0.020 2 945 113 113 SER HB3 H 3.739 0.020 2 946 113 113 SER C C 174.527 0.400 1 947 113 113 SER CA C 57.867 0.400 1 948 113 113 SER CB C 63.663 0.400 1 949 113 113 SER N N 116.698 0.400 1 950 114 114 ILE H H 8.016 0.020 1 951 114 114 ILE HA H 4.092 0.020 1 952 114 114 ILE HB H 1.759 0.020 1 953 114 114 ILE HG12 H 1.338 0.020 2 954 114 114 ILE HG13 H 1.079 0.020 2 955 114 114 ILE HG2 H 0.785 0.020 1 956 114 114 ILE HD1 H 0.751 0.020 1 957 114 114 ILE C C 176.074 0.400 1 958 114 114 ILE CA C 60.910 0.400 1 959 114 114 ILE CB C 38.689 0.400 1 960 114 114 ILE CG1 C 27.221 0.400 1 961 114 114 ILE CD1 C 12.944 0.400 1 962 114 114 ILE N N 123.070 0.400 1 963 115 115 LYS H H 8.208 0.020 1 964 115 115 LYS HA H 4.208 0.020 1 965 115 115 LYS HB2 H 1.737 0.020 2 966 115 115 LYS HB3 H 1.623 0.020 2 967 115 115 LYS HG2 H 1.305 0.020 2 968 115 115 LYS HG3 H 1.305 0.020 2 969 115 115 LYS HD2 H 1.565 0.020 2 970 115 115 LYS HD3 H 1.565 0.020 2 971 115 115 LYS HE2 H 2.864 0.020 2 972 115 115 LYS HE3 H 2.864 0.020 2 973 115 115 LYS C C 176.413 0.400 1 974 115 115 LYS CA C 56.083 0.400 1 975 115 115 LYS CB C 32.926 0.400 1 976 115 115 LYS CD C 28.869 0.400 1 977 115 115 LYS CE C 41.944 0.400 1 978 115 115 LYS N N 125.821 0.400 1 979 116 116 LYS H H 8.221 0.020 1 980 116 116 LYS HA H 4.217 0.020 1 981 116 116 LYS HB2 H 1.720 0.020 2 982 116 116 LYS HB3 H 1.637 0.020 2 983 116 116 LYS HG2 H 1.333 0.020 2 984 116 116 LYS HG3 H 1.333 0.020 2 985 116 116 LYS HD2 H 1.566 0.020 2 986 116 116 LYS HD3 H 1.566 0.020 2 987 116 116 LYS HE2 H 2.881 0.020 2 988 116 116 LYS HE3 H 2.881 0.020 2 989 116 116 LYS C C 176.596 0.400 1 990 116 116 LYS CA C 56.293 0.400 1 991 116 116 LYS CB C 33.042 0.400 1 992 116 116 LYS CD C 28.944 0.400 1 993 116 116 LYS N N 123.594 0.400 1 994 117 117 SER H H 8.200 0.020 1 995 117 117 SER HA H 4.342 0.020 1 996 117 117 SER HB2 H 3.766 0.020 2 997 117 117 SER HB3 H 3.766 0.020 2 998 117 117 SER C C 174.547 0.400 1 999 117 117 SER CA C 58.154 0.400 1 1000 117 117 SER CB C 63.774 0.400 1 1001 117 117 SER N N 117.386 0.400 1 1002 118 118 GLN H H 8.320 0.020 1 1003 118 118 GLN C C 176.710 0.400 1 1004 118 118 GLN CA C 56.132 0.400 1 1005 118 118 GLN CB C 30.856 0.400 1 1006 118 118 GLN N N 122.473 0.400 1 1007 119 119 GLY H H 8.433 0.020 1 1008 119 119 GLY HA2 H 3.841 0.020 2 1009 119 119 GLY HA3 H 3.841 0.020 2 1010 119 119 GLY C C 173.656 0.400 1 1011 119 119 GLY CA C 45.163 0.400 1 1012 119 119 GLY N N 110.846 0.400 1 1013 120 120 ARG H H 7.931 0.020 1 1014 120 120 ARG HA H 4.246 0.020 1 1015 120 120 ARG HB2 H 1.678 0.020 2 1016 120 120 ARG HB3 H 1.678 0.020 2 1017 120 120 ARG HG2 H 1.483 0.020 2 1018 120 120 ARG HG3 H 1.483 0.020 2 1019 120 120 ARG HD2 H 3.037 0.020 2 1020 120 120 ARG HD3 H 3.037 0.020 2 1021 120 120 ARG C C 176.070 0.400 1 1022 120 120 ARG CA C 55.853 0.400 1 1023 120 120 ARG CB C 30.756 0.400 1 1024 120 120 ARG N N 120.233 0.400 1 1025 121 121 LYS H H 8.230 0.020 1 1026 121 121 LYS HA H 4.283 0.020 1 1027 121 121 LYS HB2 H 1.715 0.020 2 1028 121 121 LYS HB3 H 1.628 0.020 2 1029 121 121 LYS HG2 H 1.421 0.020 2 1030 121 121 LYS HG3 H 1.421 0.020 2 1031 121 121 LYS C C 177.245 0.400 1 1032 121 121 LYS CA C 54.446 0.400 1 1033 121 121 LYS CB C 33.104 0.400 1 1034 121 121 LYS N N 121.894 0.400 1 1035 122 122 GLY H H 8.792 0.020 1 1036 122 122 GLY HA2 H 3.999 0.020 2 1037 122 122 GLY HA3 H 3.715 0.020 2 1038 122 122 GLY C C 173.744 0.400 1 1039 122 122 GLY CA C 45.958 0.400 1 1040 122 122 GLY N N 109.318 0.400 1 1041 123 123 GLN H H 8.584 0.020 1 1042 123 123 GLN HA H 4.303 0.020 1 1043 123 123 GLN C C 175.147 0.400 1 1044 123 123 GLN CA C 53.405 0.400 1 1045 123 123 GLN CB C 30.651 0.400 1 1046 123 123 GLN N N 122.342 0.400 1 1047 124 124 GLU H H 8.502 0.020 1 1048 124 124 GLU HA H 4.303 0.020 1 1049 124 124 GLU HB2 H 1.796 0.020 2 1050 124 124 GLU HB3 H 1.676 0.020 2 1051 124 124 GLU HG2 H 2.120 0.020 2 1052 124 124 GLU HG3 H 2.120 0.020 2 1053 124 124 GLU C C 177.273 0.400 1 1054 124 124 GLU CA C 58.233 0.400 1 1055 124 124 GLU CB C 29.216 0.400 1 1056 124 124 GLU N N 120.955 0.400 1 1057 125 125 GLY H H 9.250 0.020 1 1058 125 125 GLY HA2 H 4.227 0.020 2 1059 125 125 GLY HA3 H 3.401 0.020 2 1060 125 125 GLY C C 174.047 0.400 1 1061 125 125 GLY CA C 44.962 0.400 1 1062 125 125 GLY N N 113.951 0.400 1 1063 126 126 GLU H H 7.798 0.020 1 1064 126 126 GLU HA H 4.275 0.020 1 1065 126 126 GLU HB2 H 1.863 0.020 2 1066 126 126 GLU HB3 H 1.863 0.020 2 1067 126 126 GLU HG2 H 2.169 0.020 2 1068 126 126 GLU HG3 H 2.169 0.020 2 1069 126 126 GLU C C 175.661 0.400 1 1070 126 126 GLU CA C 56.317 0.400 1 1071 126 126 GLU CB C 30.519 0.400 1 1072 126 126 GLU CG C 35.579 0.400 1 1073 126 126 GLU N N 118.902 0.400 1 1074 127 127 SER H H 8.284 0.020 1 1075 127 127 SER HA H 4.816 0.020 1 1076 127 127 SER HB2 H 3.844 0.020 2 1077 127 127 SER HB3 H 3.844 0.020 2 1078 127 127 SER C C 172.887 0.400 1 1079 127 127 SER CA C 59.090 0.400 1 1080 127 127 SER CB C 64.068 0.400 1 1081 127 127 SER N N 115.507 0.400 1 1082 128 128 CYS H H 7.891 0.020 1 1083 128 128 CYS HA H 4.757 0.020 1 1084 128 128 CYS HB2 H 3.128 0.020 2 1085 128 128 CYS HB3 H 3.039 0.020 2 1086 128 128 CYS C C 171.724 0.400 1 1087 128 128 CYS CA C 53.675 0.400 1 1088 128 128 CYS CB C 48.004 0.400 1 1089 128 128 CYS N N 117.128 0.400 1 1090 129 129 LEU H H 8.916 0.020 1 1091 129 129 LEU HA H 4.434 0.020 1 1092 129 129 LEU HB2 H 1.733 0.020 2 1093 129 129 LEU HB3 H 1.452 0.020 2 1094 129 129 LEU HG H 1.488 0.020 1 1095 129 129 LEU HD1 H 0.824 0.020 2 1096 129 129 LEU C C 176.719 0.400 1 1097 129 129 LEU CA C 55.714 0.400 1 1098 129 129 LEU CB C 43.504 0.400 1 1099 129 129 LEU CG C 27.254 0.400 1 1100 129 129 LEU CD1 C 24.641 0.400 1 1101 129 129 LEU N N 118.887 0.400 1 1102 130 130 ARG H H 8.092 0.020 1 1103 130 130 ARG HA H 4.581 0.020 1 1104 130 130 ARG HB2 H 1.851 0.020 2 1105 130 130 ARG HB3 H 1.561 0.020 2 1106 130 130 ARG HD2 H 3.090 0.020 2 1107 130 130 ARG HD3 H 3.090 0.020 2 1108 130 130 ARG CA C 53.419 0.400 1 1109 130 130 ARG CB C 32.664 0.400 1 1110 130 130 ARG CD C 43.404 0.400 1 1111 130 130 ARG N N 117.774 0.400 1 1112 131 131 THR HA H 4.121 0.020 1 1113 131 131 THR HB H 3.620 0.020 1 1114 131 131 THR HG2 H 1.194 0.020 1 1115 131 131 THR CA C 68.527 0.400 1 1116 131 131 THR CB C 67.863 0.400 1 1117 131 131 THR CG2 C 23.090 0.400 1 1118 132 132 PHE HA H 4.352 0.020 1 1119 132 132 PHE HB2 H 3.151 0.020 2 1120 132 132 PHE HB3 H 2.746 0.020 2 1121 132 132 PHE HD1 H 7.142 0.020 1 1122 132 132 PHE HD2 H 7.142 0.020 1 1123 132 132 PHE HE1 H 7.260 0.020 1 1124 132 132 PHE HE2 H 7.260 0.020 1 1125 132 132 PHE C C 175.037 0.400 1 1126 132 132 PHE CA C 59.144 0.400 1 1127 132 132 PHE CB C 38.804 0.400 1 1128 133 133 ASP H H 7.668 0.020 1 1129 133 133 ASP HA H 4.437 0.020 1 1130 133 133 ASP C C 177.294 0.400 1 1131 133 133 ASP CA C 55.783 0.400 1 1132 133 133 ASP CB C 42.181 0.400 1 1133 133 133 ASP N N 116.552 0.400 1 1134 134 134 CYS H H 8.040 0.020 1 1135 134 134 CYS C C 174.011 0.400 1 1136 134 134 CYS CA C 53.880 0.400 1 1137 134 134 CYS CB C 42.016 0.400 1 1138 134 134 CYS N N 118.550 0.400 1 1139 135 135 GLY H H 8.734 0.020 1 1140 135 135 GLY HA2 H 3.830 0.020 2 1141 135 135 GLY HA3 H 3.776 0.020 2 1142 135 135 GLY CA C 44.371 0.400 1 1143 135 135 GLY N N 107.529 0.400 1 1144 136 136 PRO C C 177.979 0.400 1 1145 136 136 PRO CA C 63.270 0.400 1 1146 136 136 PRO CB C 31.767 0.400 1 1147 137 137 GLY H H 8.778 0.020 1 1148 137 137 GLY HA2 H 4.013 0.020 2 1149 137 137 GLY HA3 H 3.571 0.020 2 1150 137 137 GLY C C 173.886 0.400 1 1151 137 137 GLY CA C 45.284 0.400 1 1152 137 137 GLY N N 110.102 0.400 1 1153 138 138 LEU H H 7.350 0.020 1 1154 138 138 LEU HA H 5.362 0.020 1 1155 138 138 LEU HB2 H 1.043 0.020 2 1156 138 138 LEU HB3 H 1.043 0.020 2 1157 138 138 LEU HG H 0.623 0.020 1 1158 138 138 LEU HD1 H 0.476 0.020 2 1159 138 138 LEU C C 175.824 0.400 1 1160 138 138 LEU CA C 53.394 0.400 1 1161 138 138 LEU CB C 45.151 0.400 1 1162 138 138 LEU N N 120.736 0.400 1 1163 139 139 CYS H H 9.870 0.020 1 1164 139 139 CYS HA H 5.106 0.020 1 1165 139 139 CYS HB2 H 2.967 0.020 2 1166 139 139 CYS HB3 H 2.862 0.020 2 1167 139 139 CYS C C 170.996 0.400 1 1168 139 139 CYS CA C 54.930 0.400 1 1169 139 139 CYS CB C 43.051 0.400 1 1170 139 139 CYS N N 120.221 0.400 1 1171 140 140 CYS H H 8.209 0.020 1 1172 140 140 CYS HB2 H 2.570 0.020 2 1173 140 140 CYS HB3 H 2.454 0.020 2 1174 140 140 CYS CA C 54.722 0.400 1 1175 140 140 CYS N N 122.329 0.400 1 1176 144 144 PHE C C 176.188 0.400 1 1177 144 144 PHE CA C 53.484 0.400 1 1178 144 144 PHE CB C 38.705 0.400 1 1179 145 145 TRP H H 8.054 0.020 1 1180 145 145 TRP HA H 4.693 0.020 1 1181 145 145 TRP HB2 H 3.400 0.020 2 1182 145 145 TRP HB3 H 3.279 0.020 2 1183 145 145 TRP HE1 H 10.070 0.020 1 1184 145 145 TRP HE3 H 7.578 0.020 1 1185 145 145 TRP HZ2 H 7.386 0.020 1 1186 145 145 TRP HZ3 H 7.005 0.020 1 1187 145 145 TRP HH2 H 7.112 0.020 1 1188 145 145 TRP C C 175.412 0.400 1 1189 145 145 TRP CA C 57.904 0.400 1 1190 145 145 TRP CB C 28.795 0.400 1 1191 145 145 TRP N N 121.273 0.400 1 1192 145 145 TRP NE1 N 129.919 0.400 1 1193 146 146 THR H H 7.688 0.020 1 1194 146 146 THR HA H 4.665 0.020 1 1195 146 146 THR HB H 4.040 0.020 1 1196 146 146 THR HG2 H 1.043 0.020 1 1197 146 146 THR C C 172.908 0.400 1 1198 146 146 THR CA C 59.313 0.400 1 1199 146 146 THR CB C 70.550 0.400 1 1200 146 146 THR CG2 C 20.620 0.400 1 1201 146 146 THR N N 114.864 0.400 1 1202 147 147 LYS H H 8.355 0.020 1 1203 147 147 LYS HA H 4.852 0.020 1 1204 147 147 LYS HB2 H 2.329 0.020 2 1205 147 147 LYS HB3 H 2.216 0.020 2 1206 147 147 LYS C C 175.942 0.400 1 1207 147 147 LYS CA C 56.448 0.400 1 1208 147 147 LYS CB C 34.478 0.400 1 1209 147 147 LYS N N 122.831 0.400 1 1210 148 148 ILE H H 8.521 0.020 1 1211 148 148 ILE HA H 5.079 0.020 1 1212 148 148 ILE HB H 1.277 0.020 1 1213 148 148 ILE HG12 H 1.054 0.020 2 1214 148 148 ILE HG13 H 0.707 0.020 2 1215 148 148 ILE HG2 H 0.594 0.020 1 1216 148 148 ILE HD1 H 0.389 0.020 1 1217 148 148 ILE C C 175.981 0.400 1 1218 148 148 ILE CA C 58.901 0.400 1 1219 148 148 ILE CB C 43.782 0.400 1 1220 148 148 ILE CG1 C 25.260 0.400 1 1221 148 148 ILE CG2 C 18.093 0.400 1 1222 148 148 ILE CD1 C 13.451 0.400 1 1223 148 148 ILE N N 115.527 0.400 1 1224 149 149 CYS H H 8.521 0.020 1 1225 149 149 CYS HA H 5.223 0.020 1 1226 149 149 CYS HB2 H 3.003 0.020 2 1227 149 149 CYS HB3 H 2.562 0.020 2 1228 149 149 CYS C C 175.189 0.400 1 1229 149 149 CYS CA C 54.169 0.400 1 1230 149 149 CYS CB C 40.051 0.400 1 1231 149 149 CYS N N 119.942 0.400 1 1232 150 150 LYS H H 9.564 0.020 1 1233 150 150 LYS HA H 4.798 0.020 1 1234 150 150 LYS CA C 54.013 0.400 1 1235 150 150 LYS N N 126.796 0.400 1 1236 151 151 PRO C C 177.607 0.400 1 1237 151 151 PRO CA C 63.037 0.400 1 1238 151 151 PRO CB C 31.996 0.400 1 1239 152 152 VAL H H 7.555 0.020 1 1240 152 152 VAL HA H 3.925 0.020 1 1241 152 152 VAL HB H 1.950 0.020 1 1242 152 152 VAL HG1 H 0.745 0.020 2 1243 152 152 VAL C C 176.078 0.400 1 1244 152 152 VAL CA C 61.888 0.400 1 1245 152 152 VAL CB C 31.707 0.400 1 1246 152 152 VAL CG1 C 19.078 0.400 1 1247 152 152 VAL N N 116.231 0.400 1 1248 153 153 LEU H H 7.526 0.020 1 1249 153 153 LEU HA H 4.174 0.020 1 1250 153 153 LEU CA C 54.917 0.400 1 1251 153 153 LEU N N 121.586 0.400 1 1252 154 154 LEU C C 176.688 0.400 1 1253 154 154 LEU CA C 52.719 0.400 1 1254 154 154 LEU CB C 43.642 0.400 1 1255 155 155 GLU H H 8.189 0.020 1 1256 155 155 GLU C C 177.500 0.400 1 1257 155 155 GLU CA C 58.264 0.400 1 1258 155 155 GLU CB C 29.116 0.400 1 1259 155 155 GLU N N 119.998 0.400 1 1260 156 156 GLY H H 9.292 0.020 1 1261 156 156 GLY HA2 H 4.256 0.020 2 1262 156 156 GLY HA3 H 3.379 0.020 2 1263 156 156 GLY CA C 45.039 0.400 1 1264 156 156 GLY N N 113.998 0.400 1 1265 157 157 GLN C C 175.513 0.400 1 1266 157 157 GLN CA C 56.200 0.400 1 1267 157 157 GLN CB C 30.232 0.400 1 1268 158 158 VAL H H 8.110 0.020 1 1269 158 158 VAL HA H 4.328 0.020 1 1270 158 158 VAL HB H 1.820 0.020 1 1271 158 158 VAL HG1 H 0.958 0.020 2 1272 158 158 VAL C C 175.376 0.400 1 1273 158 158 VAL CA C 63.287 0.400 1 1274 158 158 VAL CB C 31.958 0.400 1 1275 158 158 VAL CG1 C 21.864 0.400 1 1276 158 158 VAL N N 121.984 0.400 1 1277 159 159 CYS H H 8.296 0.020 1 1278 159 159 CYS HA H 4.830 0.020 1 1279 159 159 CYS HB2 H 3.295 0.020 2 1280 159 159 CYS HB3 H 3.040 0.020 2 1281 159 159 CYS C C 172.924 0.400 1 1282 159 159 CYS CA C 53.619 0.400 1 1283 159 159 CYS CB C 47.693 0.400 1 1284 159 159 CYS N N 121.997 0.400 1 1285 160 160 SER H H 7.998 0.020 1 1286 160 160 SER HA H 4.435 0.020 1 1287 160 160 SER HB2 H 3.661 0.020 2 1288 160 160 SER HB3 H 3.661 0.020 2 1289 160 160 SER C C 175.953 0.400 1 1290 160 160 SER CA C 57.746 0.400 1 1291 160 160 SER CB C 64.711 0.400 1 1292 160 160 SER N N 115.559 0.400 1 1293 161 161 ARG H H 8.390 0.020 1 1294 161 161 ARG HA H 4.230 0.020 1 1295 161 161 ARG HB2 H 1.688 0.020 2 1296 161 161 ARG HB3 H 1.688 0.020 2 1297 161 161 ARG HG2 H 1.542 0.020 2 1298 161 161 ARG HG3 H 1.542 0.020 2 1299 161 161 ARG C C 173.528 0.400 1 1300 161 161 ARG CA C 56.017 0.400 1 1301 161 161 ARG CB C 31.084 0.400 1 1302 161 161 ARG N N 123.775 0.400 1 1303 162 162 ARG H H 8.390 0.020 1 1304 162 162 ARG HA H 4.224 0.020 1 1305 162 162 ARG HB2 H 1.613 0.020 2 1306 162 162 ARG HB3 H 1.613 0.020 2 1307 162 162 ARG HG2 H 1.536 0.020 2 1308 162 162 ARG HG3 H 1.536 0.020 2 1309 162 162 ARG C C 176.337 0.400 1 1310 162 162 ARG CA C 56.006 0.400 1 1311 162 162 ARG CB C 29.436 0.400 1 1312 162 162 ARG N N 123.689 0.400 1 1313 163 163 GLY H H 8.270 0.020 1 1314 163 163 GLY HA2 H 3.824 0.020 2 1315 163 163 GLY HA3 H 3.824 0.020 2 1316 163 163 GLY C C 172.637 0.400 1 1317 163 163 GLY CA C 45.072 0.400 1 1318 163 163 GLY N N 110.168 0.400 1 1319 164 164 HIS H H 7.819 0.020 1 1320 164 164 HIS CA C 53.787 0.400 1 1321 164 164 HIS CB C 31.084 0.400 1 1322 164 164 HIS N N 118.942 0.400 1 1323 166 166 ASP C C 176.542 0.400 1 1324 166 166 ASP CA C 54.545 0.400 1 1325 166 166 ASP CB C 41.102 0.400 1 1326 167 167 THR H H 7.823 0.020 1 1327 167 167 THR HA H 4.202 0.020 1 1328 167 167 THR HB H 4.198 0.020 1 1329 167 167 THR HG2 H 1.079 0.020 1 1330 167 167 THR C C 174.545 0.400 1 1331 167 167 THR CA C 61.721 0.400 1 1332 167 167 THR CB C 69.623 0.400 1 1333 167 167 THR CG2 C 21.774 0.400 1 1334 167 167 THR N N 113.364 0.400 1 1335 168 168 ALA H H 8.123 0.020 1 1336 168 168 ALA HA H 4.169 0.020 1 1337 168 168 ALA HB H 1.286 0.020 1 1338 168 168 ALA C C 177.662 0.400 1 1339 168 168 ALA CA C 52.812 0.400 1 1340 168 168 ALA CB C 18.942 0.400 1 1341 168 168 ALA N N 125.349 0.400 1 1342 169 169 GLN H H 7.946 0.020 1 1343 169 169 GLN HA H 4.171 0.020 1 1344 169 169 GLN HB2 H 1.978 0.020 2 1345 169 169 GLN HB3 H 1.842 0.020 2 1346 169 169 GLN HG2 H 2.226 0.020 2 1347 169 169 GLN HG3 H 2.226 0.020 2 1348 169 169 GLN C C 175.265 0.400 1 1349 169 169 GLN CA C 55.486 0.400 1 1350 169 169 GLN CB C 29.574 0.400 1 1351 169 169 GLN CG C 34.408 0.400 1 1352 169 169 GLN N N 118.110 0.400 1 1353 170 170 ALA H H 7.965 0.020 1 1354 170 170 ALA HA H 4.446 0.020 1 1355 170 170 ALA HB H 1.247 0.020 1 1356 170 170 ALA CA C 50.540 0.400 1 1357 170 170 ALA CB C 18.213 0.400 1 1358 170 170 ALA N N 125.713 0.400 1 1359 171 171 PRO HA H 4.260 0.020 1 1360 171 171 PRO HB2 H 2.103 0.020 2 1361 171 171 PRO HB3 H 1.666 0.020 2 1362 171 171 PRO HG2 H 1.857 0.020 2 1363 171 171 PRO HG3 H 1.857 0.020 2 1364 171 171 PRO HD2 H 3.637 0.020 2 1365 171 171 PRO HD3 H 3.536 0.020 2 1366 171 171 PRO C C 176.884 0.400 1 1367 171 171 PRO CA C 63.244 0.400 1 1368 171 171 PRO CB C 31.924 0.400 1 1369 171 171 PRO CG C 27.395 0.400 1 1370 171 171 PRO CD C 50.384 0.400 1 1371 172 172 GLU H H 8.343 0.020 1 1372 172 172 GLU HA H 4.067 0.020 1 1373 172 172 GLU HB2 H 1.792 0.020 2 1374 172 172 GLU HB3 H 1.739 0.020 2 1375 172 172 GLU HG2 H 2.097 0.020 2 1376 172 172 GLU HG3 H 2.097 0.020 2 1377 172 172 GLU C C 176.304 0.400 1 1378 172 172 GLU CA C 56.597 0.400 1 1379 172 172 GLU CB C 29.919 0.400 1 1380 172 172 GLU N N 120.795 0.400 1 1381 173 173 ILE H H 7.663 0.020 1 1382 173 173 ILE HA H 3.692 0.020 1 1383 173 173 ILE HB H 1.445 0.020 1 1384 173 173 ILE HG12 H 0.971 0.020 2 1385 173 173 ILE HG13 H 0.821 0.020 2 1386 173 173 ILE HG2 H 0.389 0.020 1 1387 173 173 ILE HD1 H 0.551 0.020 1 1388 173 173 ILE C C 174.823 0.400 1 1389 173 173 ILE CA C 61.814 0.400 1 1390 173 173 ILE CB C 38.326 0.400 1 1391 173 173 ILE CG1 C 26.885 0.400 1 1392 173 173 ILE CG2 C 17.471 0.400 1 1393 173 173 ILE CD1 C 12.926 0.400 1 1394 173 173 ILE N N 119.369 0.400 1 1395 174 174 PHE H H 7.622 0.020 1 1396 174 174 PHE HA H 4.453 0.020 1 1397 174 174 PHE HB2 H 2.676 0.020 2 1398 174 174 PHE HB3 H 2.647 0.020 2 1399 174 174 PHE HD1 H 6.831 0.020 1 1400 174 174 PHE HD2 H 6.831 0.020 1 1401 174 174 PHE HE1 H 6.947 0.020 1 1402 174 174 PHE HE2 H 6.947 0.020 1 1403 174 174 PHE HZ H 7.035 0.020 1 1404 174 174 PHE CA C 56.040 0.400 1 1405 174 174 PHE N N 120.262 0.400 1 1406 176 176 ARG C C 172.912 0.400 1 1407 176 176 ARG CA C 54.338 0.400 1 1408 176 176 ARG CB C 32.673 0.400 1 1409 177 177 CYS H H 8.469 0.020 1 1410 177 177 CYS HA H 4.441 0.020 1 1411 177 177 CYS HB2 H 3.280 0.020 2 1412 177 177 CYS HB3 H 2.716 0.020 2 1413 177 177 CYS C C 173.308 0.400 1 1414 177 177 CYS CA C 54.092 0.400 1 1415 177 177 CYS CB C 40.144 0.400 1 1416 177 177 CYS N N 119.290 0.400 1 1417 178 178 ASP H H 8.037 0.020 1 1418 178 178 ASP HA H 4.646 0.020 1 1419 178 178 ASP HB2 H 2.850 0.020 2 1420 178 178 ASP HB3 H 2.449 0.020 2 1421 178 178 ASP C C 176.501 0.400 1 1422 178 178 ASP CA C 53.132 0.400 1 1423 178 178 ASP CB C 42.341 0.400 1 1424 178 178 ASP N N 117.628 0.400 1 1425 179 179 CYS H H 8.733 0.020 1 1426 179 179 CYS C C 176.063 0.400 1 1427 179 179 CYS CA C 55.925 0.400 1 1428 179 179 CYS CB C 39.311 0.400 1 1429 179 179 CYS N N 116.356 0.400 1 1430 180 180 GLY H H 8.514 0.020 1 1431 180 180 GLY HA2 H 3.855 0.020 2 1432 180 180 GLY HA3 H 3.855 0.020 2 1433 180 180 GLY CA C 44.776 0.400 1 1434 180 180 GLY N N 109.648 0.400 1 1435 181 181 PRO C C 178.099 0.400 1 1436 181 181 PRO CA C 63.400 0.400 1 1437 181 181 PRO CB C 31.654 0.400 1 1438 182 182 GLY H H 8.764 0.020 1 1439 182 182 GLY HA2 H 4.569 0.020 2 1440 182 182 GLY HA3 H 4.569 0.020 2 1441 182 182 GLY C C 173.220 0.400 1 1442 182 182 GLY CA C 45.202 0.400 1 1443 182 182 GLY N N 111.347 0.400 1 1444 183 183 LEU H H 7.649 0.020 1 1445 183 183 LEU HA H 5.081 0.020 1 1446 183 183 LEU HB2 H 1.285 0.020 2 1447 183 183 LEU HB3 H 1.285 0.020 2 1448 183 183 LEU HG H 0.640 0.020 1 1449 183 183 LEU HD1 H 0.492 0.020 2 1450 183 183 LEU C C 175.515 0.400 1 1451 183 183 LEU CA C 52.612 0.400 1 1452 183 183 LEU CB C 45.843 0.400 1 1453 183 183 LEU CG C 26.344 0.400 1 1454 183 183 LEU CD1 C 23.004 0.400 1 1455 183 183 LEU N N 120.059 0.400 1 1456 184 184 LEU H H 9.037 0.020 1 1457 184 184 LEU HA H 4.517 0.020 1 1458 184 184 LEU HB2 H 1.301 0.020 2 1459 184 184 LEU HB3 H 1.301 0.020 2 1460 184 184 LEU HG H 1.331 0.020 1 1461 184 184 LEU HD1 H 0.783 0.020 2 1462 184 184 LEU C C 175.593 0.400 1 1463 184 184 LEU CA C 53.253 0.400 1 1464 184 184 LEU CB C 46.819 0.400 1 1465 184 184 LEU CG C 26.667 0.400 1 1466 184 184 LEU CD1 C 23.844 0.400 1 1467 184 184 LEU N N 119.874 0.400 1 1468 185 185 CYS H H 8.803 0.020 1 1469 185 185 CYS HA H 4.620 0.020 1 1470 185 185 CYS HB2 H 3.146 0.020 2 1471 185 185 CYS HB3 H 2.845 0.020 2 1472 185 185 CYS C C 174.284 0.400 1 1473 185 185 CYS CA C 55.539 0.400 1 1474 185 185 CYS CB C 39.314 0.400 1 1475 185 185 CYS N N 123.382 0.400 1 1476 186 186 ARG H H 8.335 0.020 1 1477 186 186 ARG HA H 4.766 0.020 1 1478 186 186 ARG HB2 H 1.815 0.020 2 1479 186 186 ARG HB3 H 1.541 0.020 2 1480 186 186 ARG HG2 H 1.469 0.020 2 1481 186 186 ARG HG3 H 1.433 0.020 2 1482 186 186 ARG HD2 H 3.165 0.020 2 1483 186 186 ARG HD3 H 3.055 0.020 2 1484 186 186 ARG C C 175.274 0.400 1 1485 186 186 ARG CA C 54.184 0.400 1 1486 186 186 ARG CB C 35.069 0.400 1 1487 186 186 ARG CG C 26.944 0.400 1 1488 186 186 ARG CD C 43.444 0.400 1 1489 186 186 ARG N N 130.285 0.400 1 1490 187 187 SER H H 8.705 0.020 1 1491 187 187 SER HA H 4.235 0.020 1 1492 187 187 SER HB2 H 3.800 0.020 2 1493 187 187 SER HB3 H 3.752 0.020 2 1494 187 187 SER C C 174.375 0.400 1 1495 187 187 SER CA C 59.370 0.400 1 1496 187 187 SER CB C 63.684 0.400 1 1497 187 187 SER N N 119.191 0.400 1 1498 188 188 GLN H H 8.603 0.020 1 1499 188 188 GLN HA H 4.302 0.020 1 1500 188 188 GLN HB2 H 1.975 0.020 2 1501 188 188 GLN HB3 H 1.818 0.020 2 1502 188 188 GLN HG2 H 2.205 0.020 2 1503 188 188 GLN HG3 H 2.205 0.020 2 1504 188 188 GLN C C 175.374 0.400 1 1505 188 188 GLN CA C 55.413 0.400 1 1506 188 188 GLN CB C 30.546 0.400 1 1507 188 188 GLN N N 124.184 0.400 1 1508 189 189 LEU H H 8.434 0.020 1 1509 189 189 LEU HA H 4.329 0.020 1 1510 189 189 LEU HB2 H 1.525 0.020 2 1511 189 189 LEU HB3 H 1.525 0.020 2 1512 189 189 LEU HG H 1.466 0.020 1 1513 189 189 LEU HD1 H 0.758 0.020 2 1514 189 189 LEU C C 177.324 0.400 1 1515 189 189 LEU CA C 55.336 0.400 1 1516 189 189 LEU CB C 41.944 0.400 1 1517 189 189 LEU CG C 27.234 0.400 1 1518 189 189 LEU CD1 C 23.434 0.400 1 1519 189 189 LEU N N 125.246 0.400 1 1520 190 190 THR H H 7.939 0.020 1 1521 190 190 THR HA H 4.354 0.020 1 1522 190 190 THR HB H 4.199 0.020 1 1523 190 190 THR HG2 H 1.069 0.020 1 1524 190 190 THR C C 174.964 0.400 1 1525 190 190 THR CA C 60.678 0.400 1 1526 190 190 THR CB C 69.824 0.400 1 1527 190 190 THR CG2 C 21.286 0.400 1 1528 190 190 THR N N 114.359 0.400 1 1529 191 191 SER H H 7.895 0.020 1 1530 191 191 SER CA C 57.815 0.400 1 1531 191 191 SER N N 121.641 0.400 1 1532 192 192 ASN C C 172.918 0.400 1 1533 192 192 ASN CA C 55.094 0.400 1 1534 192 192 ASN CB C 39.361 0.400 1 1535 193 193 ARG H H 8.966 0.020 1 1536 193 193 ARG HA H 4.626 0.020 1 1537 193 193 ARG HB2 H 1.059 0.020 2 1538 193 193 ARG HB3 H 1.059 0.020 2 1539 193 193 ARG C C 175.691 0.400 1 1540 193 193 ARG CA C 50.454 0.400 1 1541 193 193 ARG CB C 22.255 0.400 1 1542 193 193 ARG N N 135.123 0.400 1 1543 194 194 GLN H H 8.325 0.020 1 1544 194 194 GLN C C 174.646 0.400 1 1545 194 194 GLN CA C 57.284 0.400 1 1546 194 194 GLN CB C 30.103 0.400 1 1547 194 194 GLN N N 120.806 0.400 1 1548 195 195 HIS H H 8.260 0.020 1 1549 195 195 HIS HA H 4.569 0.020 1 1550 195 195 HIS HB2 H 3.150 0.020 2 1551 195 195 HIS HB3 H 3.005 0.020 2 1552 195 195 HIS C C 174.387 0.400 1 1553 195 195 HIS CA C 55.314 0.400 1 1554 195 195 HIS CB C 29.584 0.400 1 1555 195 195 HIS N N 120.855 0.400 1 1556 196 196 ALA H H 8.133 0.020 1 1557 196 196 ALA HA H 4.203 0.020 1 1558 196 196 ALA HB H 1.278 0.020 1 1559 196 196 ALA C C 177.763 0.400 1 1560 196 196 ALA CA C 52.486 0.400 1 1561 196 196 ALA CB C 19.291 0.400 1 1562 196 196 ALA N N 125.496 0.400 1 1563 197 197 ARG H H 8.097 0.020 1 1564 197 197 ARG CA C 55.850 0.400 1 1565 197 197 ARG CB C 30.509 0.400 1 1566 197 197 ARG N N 119.973 0.400 1 1567 198 198 LEU H H 7.905 0.020 1 1568 198 198 LEU HA H 4.351 0.020 1 1569 198 198 LEU HB2 H 1.454 0.020 2 1570 198 198 LEU HB3 H 1.454 0.020 2 1571 198 198 LEU HD1 H 0.722 0.020 2 1572 198 198 LEU C C 176.017 0.400 1 1573 198 198 LEU CA C 54.578 0.400 1 1574 198 198 LEU CB C 43.569 0.400 1 1575 198 198 LEU CD1 C 23.480 0.400 1 1576 198 198 LEU N N 122.830 0.400 1 1577 199 199 ARG H H 8.182 0.020 1 1578 199 199 ARG C C 175.354 0.400 1 1579 199 199 ARG CA C 55.659 0.400 1 1580 199 199 ARG CB C 32.742 0.400 1 1581 199 199 ARG N N 123.191 0.400 1 1582 200 200 VAL H H 8.161 0.020 1 1583 200 200 VAL HA H 5.046 0.020 1 1584 200 200 VAL HB H 1.532 0.020 1 1585 200 200 VAL HG1 H 0.618 0.020 2 1586 200 200 VAL HG2 H 0.598 0.020 2 1587 200 200 VAL C C 176.981 0.400 1 1588 200 200 VAL CA C 58.551 0.400 1 1589 200 200 VAL CB C 36.982 0.400 1 1590 200 200 VAL CG1 C 18.752 0.400 1 1591 200 200 VAL CG2 C 21.422 0.400 1 1592 200 200 VAL N N 113.755 0.400 1 1593 201 201 CYS H H 8.235 0.020 1 1594 201 201 CYS HA H 4.828 0.020 1 1595 201 201 CYS HB2 H 3.101 0.020 2 1596 201 201 CYS HB3 H 2.513 0.020 2 1597 201 201 CYS C C 175.799 0.400 1 1598 201 201 CYS CA C 54.417 0.400 1 1599 201 201 CYS CB C 39.061 0.400 1 1600 201 201 CYS N N 119.980 0.400 1 1601 202 202 GLN H H 9.400 0.020 1 1602 202 202 GLN HA H 4.839 0.020 1 1603 202 202 GLN HB2 H 2.079 0.020 2 1604 202 202 GLN HB3 H 1.619 0.020 2 1605 202 202 GLN C C 174.883 0.400 1 1606 202 202 GLN CA C 54.474 0.400 1 1607 202 202 GLN CB C 33.615 0.400 1 1608 202 202 GLN N N 126.123 0.400 1 1609 203 203 LYS H H 8.998 0.020 1 1610 203 203 LYS HA H 4.268 0.020 1 1611 203 203 LYS HB2 H 1.743 0.020 2 1612 203 203 LYS HB3 H 1.743 0.020 2 1613 203 203 LYS HG2 H 1.377 0.020 2 1614 203 203 LYS HG3 H 1.261 0.020 2 1615 203 203 LYS HE2 H 2.902 0.020 2 1616 203 203 LYS HE3 H 2.902 0.020 2 1617 203 203 LYS C C 177.275 0.400 1 1618 203 203 LYS CA C 57.204 0.400 1 1619 203 203 LYS CB C 33.019 0.400 1 1620 203 203 LYS CG C 25.419 0.400 1 1621 203 203 LYS CE C 41.589 0.400 1 1622 203 203 LYS N N 123.297 0.400 1 1623 204 204 ILE H H 7.817 0.020 1 1624 204 204 ILE HA H 3.707 0.020 1 1625 204 204 ILE HB H 1.559 0.020 1 1626 204 204 ILE HG12 H 1.283 0.020 2 1627 204 204 ILE HG13 H 0.913 0.020 2 1628 204 204 ILE HG2 H 0.750 0.020 1 1629 204 204 ILE HD1 H 0.685 0.020 1 1630 204 204 ILE C C 176.488 0.400 1 1631 204 204 ILE CA C 63.193 0.400 1 1632 204 204 ILE CB C 38.667 0.400 1 1633 204 204 ILE CG1 C 28.630 0.400 1 1634 204 204 ILE CG2 C 17.273 0.400 1 1635 204 204 ILE CD1 C 13.385 0.400 1 1636 204 204 ILE N N 123.536 0.400 1 1637 205 205 GLU H H 8.670 0.020 1 1638 205 205 GLU HA H 4.135 0.020 1 1639 205 205 GLU HB2 H 1.868 0.020 2 1640 205 205 GLU HB3 H 1.868 0.020 2 1641 205 205 GLU HG2 H 2.134 0.020 2 1642 205 205 GLU HG3 H 2.134 0.020 2 1643 205 205 GLU CA C 57.225 0.400 1 1644 205 205 GLU CB C 30.147 0.400 1 1645 205 205 GLU N N 123.131 0.400 1 1646 206 206 LYS C C 176.232 0.400 1 1647 206 206 LYS CA C 55.963 0.400 1 1648 206 206 LYS CB C 29.182 0.400 1 1649 207 207 LEU H H 8.080 0.020 1 1650 207 207 LEU HA H 4.171 0.020 1 1651 207 207 LEU HB2 H 1.531 0.020 2 1652 207 207 LEU HB3 H 1.531 0.020 2 1653 207 207 LEU HG H 1.511 0.020 1 1654 207 207 LEU HD1 H 0.724 0.020 2 1655 207 207 LEU C C 177.523 0.400 1 1656 207 207 LEU CA C 55.393 0.400 1 1657 207 207 LEU CB C 42.203 0.400 1 1658 207 207 LEU CG C 27.334 0.400 1 1659 207 207 LEU CD1 C 23.234 0.400 1 1660 207 207 LEU N N 122.990 0.400 1 1661 208 208 GLU H H 8.324 0.020 1 1662 208 208 GLU C C 176.479 0.400 1 1663 208 208 GLU CA C 57.087 0.400 1 1664 208 208 GLU CB C 29.962 0.400 1 1665 208 208 GLU N N 121.198 0.400 1 1666 209 209 ASN H H 8.093 0.020 1 1667 209 209 ASN HA H 4.541 0.020 1 1668 209 209 ASN HB2 H 2.683 0.020 2 1669 209 209 ASN HB3 H 2.683 0.020 2 1670 209 209 ASN C C 175.520 0.400 1 1671 209 209 ASN CA C 53.724 0.400 1 1672 209 209 ASN CB C 38.594 0.400 1 1673 209 209 ASN N N 118.588 0.400 1 1674 210 210 LEU H H 7.887 0.020 1 1675 210 210 LEU HA H 4.056 0.020 1 1676 210 210 LEU HB2 H 1.431 0.020 2 1677 210 210 LEU HB3 H 1.277 0.020 2 1678 210 210 LEU HG H 1.435 0.020 1 1679 210 210 LEU HD1 H 0.747 0.020 2 1680 210 210 LEU HD2 H 0.680 0.020 2 1681 210 210 LEU C C 177.537 0.400 1 1682 210 210 LEU CA C 55.701 0.400 1 1683 210 210 LEU CB C 41.899 0.400 1 1684 210 210 LEU CG C 26.682 0.400 1 1685 210 210 LEU CD1 C 24.815 0.400 1 1686 210 210 LEU CD2 C 23.367 0.400 1 1687 210 210 LEU N N 121.668 0.400 1 1688 211 211 TYR H H 7.839 0.020 1 1689 211 211 TYR HA H 4.296 0.020 1 1690 211 211 TYR HB2 H 2.840 0.020 2 1691 211 211 TYR HB3 H 2.799 0.020 2 1692 211 211 TYR HD1 H 6.809 0.020 1 1693 211 211 TYR HD2 H 6.809 0.020 1 1694 211 211 TYR HE1 H 6.623 0.020 1 1695 211 211 TYR HE2 H 6.623 0.020 1 1696 211 211 TYR C C 176.157 0.400 1 1697 211 211 TYR CA C 58.400 0.400 1 1698 211 211 TYR CB C 38.173 0.400 1 1699 211 211 TYR N N 119.793 0.400 1 1700 212 212 PHE H H 7.808 0.020 1 1701 212 212 PHE HA H 4.301 0.020 1 1702 212 212 PHE HB2 H 3.026 0.020 2 1703 212 212 PHE HB3 H 2.914 0.020 2 1704 212 212 PHE HD1 H 7.114 0.020 1 1705 212 212 PHE HD2 H 7.114 0.020 1 1706 212 212 PHE HE1 H 7.019 0.020 1 1707 212 212 PHE HE2 H 7.019 0.020 1 1708 212 212 PHE HZ H 7.231 0.020 1 1709 212 212 PHE C C 176.065 0.400 1 1710 212 212 PHE CA C 58.330 0.400 1 1711 212 212 PHE CB C 39.111 0.400 1 1712 212 212 PHE N N 120.345 0.400 1 1713 213 213 GLN H H 8.007 0.020 1 1714 213 213 GLN HA H 4.110 0.020 1 1715 213 213 GLN HB2 H 1.960 0.020 2 1716 213 213 GLN HB3 H 1.864 0.020 2 1717 213 213 GLN HG2 H 2.207 0.020 2 1718 213 213 GLN HG3 H 2.207 0.020 2 1719 213 213 GLN C C 176.073 0.400 1 1720 213 213 GLN CA C 56.344 0.400 1 1721 213 213 GLN CB C 29.211 0.400 1 1722 213 213 GLN N N 120.839 0.400 1 1723 214 214 SER H H 7.972 0.020 1 1724 214 214 SER HA H 4.258 0.020 1 1725 214 214 SER HB2 H 3.777 0.020 2 1726 214 214 SER HB3 H 3.777 0.020 2 1727 214 214 SER C C 174.784 0.400 1 1728 214 214 SER CA C 58.524 0.400 1 1729 214 214 SER CB C 63.367 0.400 1 1730 214 214 SER N N 116.259 0.400 1 1731 215 215 LEU H H 7.938 0.020 1 1732 215 215 LEU HA H 4.105 0.020 1 1733 215 215 LEU HB2 H 1.429 0.020 2 1734 215 215 LEU HB3 H 1.429 0.020 2 1735 215 215 LEU HG H 1.497 0.020 1 1736 215 215 LEU HD1 H 0.721 0.020 2 1737 215 215 LEU C C 177.540 0.400 1 1738 215 215 LEU CA C 55.425 0.400 1 1739 215 215 LEU CB C 41.965 0.400 1 1740 215 215 LEU CG C 27.667 0.400 1 1741 215 215 LEU N N 123.734 0.400 1 1742 216 216 GLU H H 7.999 0.020 1 1743 216 216 GLU HA H 4.012 0.020 1 1744 216 216 GLU HB2 H 1.753 0.020 2 1745 216 216 GLU HB3 H 1.753 0.020 2 1746 216 216 GLU HG2 H 2.047 0.020 2 1747 216 216 GLU HG3 H 2.047 0.020 2 1748 216 216 GLU CA C 56.719 0.400 1 1749 216 216 GLU CB C 29.983 0.400 1 1750 216 216 GLU N N 120.188 0.400 1 stop_ save_