data_19274 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the Dictyostelium discodieum Myosin Light Chain, MlcC ; _BMRB_accession_number 19274 _BMRB_flat_file_name bmr19274.str _Entry_type original _Submission_date 2013-05-28 _Accession_date 2013-05-28 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liburd Janine D. . 2 Miller Emily . . 3 Langelaan David . . 4 Chitayat Seth . . 5 Crawley Scott W. . 6 Cote Graham P. . 7 Smith Steven P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 431 "13C chemical shifts" 320 "15N chemical shifts" 81 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-12-22 original author . stop_ _Original_release_date 2014-12-22 save_ ############################# # Citation for this entry # ############################# save_MlcC _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution Structure of the Dictyostelium discodieum Myosin Light Chain, MlcC' _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 Liburd Janine D. . 2 Miller Emily . . 3 Langelaan David . . 4 Chitayat Seth . . 5 Crawley Scott W. . 6 Cote Graham P. . 7 Smith Steven P. . 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 . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Dictyostelium discodieum Myosin Light Chain, MlcC' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Dictyostelium discodieum Myosin Light Chain, MlcC' $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 8918.021 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 77 _Mol_residue_sequence ; GSHMNHINTKAQVIEAFKVF DRDGNGYVTVDYLRKVLNEL GDMMPADEIEEMIYEADPQN SGYVQYETFVGMLFLWD ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 HIS 4 MET 5 ASN 6 HIS 7 ILE 8 ASN 9 THR 10 LYS 11 ALA 12 GLN 13 VAL 14 ILE 15 GLU 16 ALA 17 PHE 18 LYS 19 VAL 20 PHE 21 ASP 22 ARG 23 ASP 24 GLY 25 ASN 26 GLY 27 TYR 28 VAL 29 THR 30 VAL 31 ASP 32 TYR 33 LEU 34 ARG 35 LYS 36 VAL 37 LEU 38 ASN 39 GLU 40 LEU 41 GLY 42 ASP 43 MET 44 MET 45 PRO 46 ALA 47 ASP 48 GLU 49 ILE 50 GLU 51 GLU 52 MET 53 ILE 54 TYR 55 GLU 56 ALA 57 ASP 58 PRO 59 GLN 60 ASN 61 SER 62 GLY 63 TYR 64 VAL 65 GLN 66 TYR 67 GLU 68 THR 69 PHE 70 VAL 71 GLY 72 MET 73 LEU 74 PHE 75 LEU 76 TRP 77 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-12-28 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 GB EAL62662 "calcium-binding EF-hand domain-containing protein [Dictyostelium discoideum AX4]" 96.10 74 100.00 100.00 1.52e-46 REF XP_636165 "calcium-binding EF-hand domain-containing protein [Dictyostelium discoideum AX4]" 96.10 74 100.00 100.00 1.52e-46 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'E. coli' 562 Bacteria . Escherichia coli stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli . pET28a 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 $entity 1 mM 'natural abundance' HEPES 10 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' D2O 10 % '[U-100% 2H]' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ 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_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . 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_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 . pH pressure 1 . atm temperature 303 . 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 external direct . . . 1.0000000 DSS H 1 'methyl protons' ppm 0 external direct . . . 1.0000000 DSS N 15 'methyl protons' ppm 0 external direct . . . 1.0000000 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-15N HSQC' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D HCCH-TOCSY' '3D H(CCO)NH' '3D C(CO)NH' 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 'Dictyostelium discodieum Myosin Light Chain, MlcC' _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 3 3 HIS HB2 H 3.150 0.000 2 2 3 3 HIS HB3 H 2.890 0.000 2 3 3 3 HIS CA C 55.070 0.000 1 4 3 3 HIS CB C 31.760 0.000 1 5 4 4 MET H H 8.380 0.000 1 6 4 4 MET HA H 4.390 0.000 1 7 4 4 MET HB2 H 2.010 0.000 2 8 4 4 MET HB3 H 2.010 0.000 2 9 4 4 MET HG2 H 2.280 0.000 2 10 4 4 MET HG3 H 2.110 0.000 2 11 4 4 MET CA C 55.160 0.000 1 12 4 4 MET CB C 32.400 0.000 1 13 4 4 MET CG C 31.630 0.000 1 14 4 4 MET N N 120.140 0.000 1 15 5 5 ASN H H 8.360 0.000 1 16 5 5 ASN HD21 H 6.940 0.000 2 17 5 5 ASN HD22 H 7.600 0.000 2 18 5 5 ASN CA C 53.670 0.000 1 19 5 5 ASN CB C 38.690 0.000 1 20 5 5 ASN N N 119.370 0.000 1 21 5 5 ASN ND2 N 112.710 0.000 1 22 6 6 HIS HA H 4.700 0.000 1 23 6 6 HIS HB2 H 3.190 0.000 2 24 6 6 HIS HB3 H 3.190 0.000 2 25 6 6 HIS C C 174.900 0.000 1 26 6 6 HIS CA C 56.100 0.000 1 27 6 6 HIS CB C 29.920 0.000 1 28 7 7 ILE H H 8.090 0.000 1 29 7 7 ILE HA H 4.080 0.000 1 30 7 7 ILE HB H 1.840 0.000 1 31 7 7 ILE HG12 H 1.430 0.000 2 32 7 7 ILE HG13 H 1.100 0.000 2 33 7 7 ILE HG2 H 0.870 0.000 1 34 7 7 ILE HD1 H 0.830 0.000 1 35 7 7 ILE C C 175.940 0.000 1 36 7 7 ILE CA C 61.711 0.000 1 37 7 7 ILE CB C 38.560 0.000 1 38 7 7 ILE CG1 C 27.380 0.000 1 39 7 7 ILE CG2 C 17.720 0.000 1 40 7 7 ILE CD1 C 13.210 0.000 1 41 7 7 ILE N N 121.430 0.000 1 42 8 8 ASN H H 8.520 0.000 1 43 8 8 ASN HA H 4.880 0.000 1 44 8 8 ASN HB2 H 2.820 0.000 2 45 8 8 ASN HB3 H 2.820 0.000 2 46 8 8 ASN HD21 H 6.930 0.000 2 47 8 8 ASN HD22 H 7.590 0.000 2 48 8 8 ASN C C 175.360 0.000 1 49 8 8 ASN CA C 53.630 0.000 1 50 8 8 ASN CB C 39.590 0.000 1 51 8 8 ASN N N 121.280 0.000 1 52 8 8 ASN ND2 N 112.230 0.000 1 53 9 9 THR H H 8.020 0.000 1 54 9 9 THR HA H 4.370 0.000 1 55 9 9 THR HB H 4.400 0.000 1 56 9 9 THR HG2 H 1.270 0.000 1 57 9 9 THR C C 174.690 0.000 1 58 9 9 THR CA C 62.100 0.000 1 59 9 9 THR CB C 71.021 0.000 1 60 9 9 THR CG2 C 22.140 0.000 1 61 9 9 THR N N 112.710 0.000 1 62 10 10 LYS H H 8.390 0.000 1 63 10 10 LYS HA H 3.260 0.000 1 64 10 10 LYS HB2 H 1.550 0.000 2 65 10 10 LYS HB3 H 1.250 0.000 2 66 10 10 LYS HG2 H 1.130 0.000 2 67 10 10 LYS HG3 H 1.000 0.000 2 68 10 10 LYS HD2 H 1.570 0.000 2 69 10 10 LYS HD3 H 1.570 0.000 2 70 10 10 LYS HE2 H 2.860 0.000 2 71 10 10 LYS HE3 H 2.860 0.000 2 72 10 10 LYS C C 177.710 0.000 1 73 10 10 LYS CA C 60.200 0.000 1 74 10 10 LYS CB C 32.070 0.000 1 75 10 10 LYS CG C 25.380 0.000 1 76 10 10 LYS CD C 29.700 0.000 1 77 10 10 LYS CE C 42.180 0.000 1 78 10 10 LYS N N 122.130 0.000 1 79 11 11 ALA H H 8.120 0.000 1 80 11 11 ALA HA H 4.040 0.000 1 81 11 11 ALA HB H 1.420 0.000 1 82 11 11 ALA C C 180.540 0.000 1 83 11 11 ALA CA C 54.991 0.000 1 84 11 11 ALA CB C 18.050 0.000 1 85 11 11 ALA N N 118.760 0.000 1 86 12 12 GLN H H 7.700 0.000 1 87 12 12 GLN HA H 4.040 0.000 1 88 12 12 GLN HB2 H 2.290 0.000 2 89 12 12 GLN HB3 H 2.090 0.000 2 90 12 12 GLN HG2 H 2.420 0.000 2 91 12 12 GLN HG3 H 2.420 0.000 2 92 12 12 GLN HE21 H 6.870 0.000 2 93 12 12 GLN HE22 H 7.530 0.000 2 94 12 12 GLN C C 178.940 0.000 1 95 12 12 GLN CA C 58.561 0.000 1 96 12 12 GLN CB C 29.120 0.000 1 97 12 12 GLN CG C 34.590 0.000 1 98 12 12 GLN N N 116.840 0.000 1 99 12 12 GLN NE2 N 111.600 0.000 1 100 13 13 VAL H H 7.990 0.000 1 101 13 13 VAL HA H 3.460 0.000 1 102 13 13 VAL HB H 2.160 0.000 1 103 13 13 VAL HG1 H 0.870 0.000 2 104 13 13 VAL HG2 H 0.950 0.000 2 105 13 13 VAL C C 176.920 0.000 1 106 13 13 VAL CA C 66.491 0.000 1 107 13 13 VAL CB C 31.310 0.000 1 108 13 13 VAL CG1 C 23.000 0.000 1 109 13 13 VAL CG2 C 23.520 0.000 1 110 13 13 VAL N N 121.610 0.000 1 111 14 14 ILE H H 8.220 0.000 1 112 14 14 ILE HA H 3.800 0.000 1 113 14 14 ILE HB H 2.100 0.000 1 114 14 14 ILE HG12 H 1.890 0.000 2 115 14 14 ILE HG13 H 1.340 0.000 2 116 14 14 ILE HG2 H 1.120 0.000 1 117 14 14 ILE HD1 H 1.000 0.000 1 118 14 14 ILE C C 178.130 0.000 1 119 14 14 ILE CA C 65.410 0.000 1 120 14 14 ILE CB C 37.170 0.000 1 121 14 14 ILE CG1 C 29.910 0.000 1 122 14 14 ILE CG2 C 17.720 0.000 1 123 14 14 ILE CD1 C 12.480 0.000 1 124 14 14 ILE N N 118.850 0.000 1 125 15 15 GLU H H 7.940 0.000 1 126 15 15 GLU HA H 3.960 0.000 1 127 15 15 GLU HB2 H 2.090 0.000 2 128 15 15 GLU HB3 H 2.090 0.000 2 129 15 15 GLU HG2 H 2.370 0.000 2 130 15 15 GLU HG3 H 2.370 0.000 2 131 15 15 GLU C C 178.310 0.000 1 132 15 15 GLU CA C 59.340 0.000 1 133 15 15 GLU CB C 29.260 0.000 1 134 15 15 GLU CG C 36.120 0.000 1 135 15 15 GLU N N 118.090 0.000 1 136 16 16 ALA H H 7.560 0.000 1 137 16 16 ALA HA H 4.130 0.000 1 138 16 16 ALA HB H 1.360 0.000 1 139 16 16 ALA C C 180.840 0.000 1 140 16 16 ALA CA C 54.801 0.000 1 141 16 16 ALA CB C 17.790 0.000 1 142 16 16 ALA N N 120.860 0.000 1 143 17 17 PHE H H 7.730 0.000 1 144 17 17 PHE HA H 4.390 0.000 1 145 17 17 PHE HB2 H 2.570 0.000 2 146 17 17 PHE HB3 H 1.850 0.000 2 147 17 17 PHE HD1 H 7.070 0.000 1 148 17 17 PHE HD2 H 7.070 0.000 1 149 17 17 PHE HE1 H 6.700 0.000 1 150 17 17 PHE HE2 H 6.700 0.000 1 151 17 17 PHE HZ H 6.930 0.000 1 152 17 17 PHE C C 177.550 0.000 1 153 17 17 PHE CA C 59.931 0.000 1 154 17 17 PHE CB C 37.890 0.000 1 155 17 17 PHE CD1 C 130.050 0.000 1 156 17 17 PHE CD2 C 130.050 0.000 1 157 17 17 PHE CE1 C 133.010 0.000 1 158 17 17 PHE CE2 C 133.010 0.000 1 159 17 17 PHE CZ C 127.250 0.000 1 160 17 17 PHE N N 116.830 0.000 1 161 18 18 LYS H H 8.290 0.000 1 162 18 18 LYS HA H 3.970 0.000 1 163 18 18 LYS HB2 H 1.910 0.000 2 164 18 18 LYS HB3 H 1.910 0.000 2 165 18 18 LYS HG2 H 1.790 0.000 2 166 18 18 LYS HG3 H 1.650 0.000 2 167 18 18 LYS HD2 H 1.770 0.000 2 168 18 18 LYS HD3 H 1.770 0.000 2 169 18 18 LYS HE2 H 3.020 0.000 2 170 18 18 LYS HE3 H 3.020 0.000 2 171 18 18 LYS C C 178.860 0.000 1 172 18 18 LYS CA C 59.631 0.000 1 173 18 18 LYS CB C 32.460 0.000 1 174 18 18 LYS CG C 25.650 0.000 1 175 18 18 LYS CD C 29.500 0.000 1 176 18 18 LYS CE C 42.210 0.000 1 177 18 18 LYS N N 119.360 0.000 1 178 19 19 VAL H H 7.400 0.000 1 179 19 19 VAL HA H 3.650 0.000 1 180 19 19 VAL HB H 1.880 0.000 1 181 19 19 VAL HG1 H 0.660 0.000 2 182 19 19 VAL HG2 H 0.910 0.000 2 183 19 19 VAL C C 177.020 0.000 1 184 19 19 VAL CA C 65.051 0.000 1 185 19 19 VAL CB C 31.990 0.000 1 186 19 19 VAL CG1 C 20.890 0.000 1 187 19 19 VAL CG2 C 22.110 0.000 1 188 19 19 VAL N N 116.479 0.000 1 189 20 20 PHE H H 7.260 0.000 1 190 20 20 PHE HA H 4.330 0.000 1 191 20 20 PHE HB2 H 3.130 0.000 2 192 20 20 PHE HB3 H 2.590 0.000 2 193 20 20 PHE HD1 H 6.805 0.000 1 194 20 20 PHE HD2 H 6.805 0.000 1 195 20 20 PHE C C 175.750 0.000 1 196 20 20 PHE CA C 58.791 0.000 1 197 20 20 PHE CB C 39.980 0.000 1 198 20 20 PHE CD1 C 130.740 0.000 1 199 20 20 PHE CD2 C 130.740 0.000 1 200 20 20 PHE N N 118.120 0.000 1 201 21 21 ASP H H 7.910 0.000 1 202 21 21 ASP HA H 5.130 0.000 1 203 21 21 ASP HB2 H 3.210 0.000 2 204 21 21 ASP HB3 H 2.800 0.000 2 205 21 21 ASP C C 176.520 0.000 1 206 21 21 ASP CA C 52.540 0.000 1 207 21 21 ASP CB C 39.980 0.000 1 208 21 21 ASP N N 120.640 0.000 1 209 22 22 ARG H H 8.120 0.000 1 210 22 22 ARG HA H 4.130 0.000 1 211 22 22 ARG HB2 H 1.920 0.000 2 212 22 22 ARG HB3 H 1.920 0.000 2 213 22 22 ARG HG2 H 1.750 0.000 2 214 22 22 ARG HG3 H 1.750 0.000 2 215 22 22 ARG HD2 H 3.280 0.000 2 216 22 22 ARG HD3 H 3.280 0.000 2 217 22 22 ARG C C 177.980 0.000 1 218 22 22 ARG CA C 58.431 0.000 1 219 22 22 ARG CB C 30.390 0.000 1 220 22 22 ARG CG C 26.900 0.000 1 221 22 22 ARG CD C 43.210 0.000 1 222 22 22 ARG N N 124.740 0.000 1 223 23 23 ASP H H 8.670 0.000 1 224 23 23 ASP HA H 4.750 0.000 1 225 23 23 ASP HB2 H 2.820 0.000 2 226 23 23 ASP HB3 H 2.690 0.000 2 227 23 23 ASP C C 176.750 0.000 1 228 23 23 ASP CA C 54.721 0.000 1 229 23 23 ASP CB C 41.220 0.000 1 230 23 23 ASP N N 116.400 0.000 1 231 24 24 GLY H H 8.000 0.000 1 232 24 24 GLY HA2 H 3.900 0.000 2 233 24 24 GLY HA3 H 3.970 0.000 2 234 24 24 GLY C C 175.410 0.000 1 235 24 24 GLY CA C 47.064 0.000 1 236 24 24 GLY N N 110.310 0.000 1 237 25 25 ASN H H 9.250 0.000 1 238 25 25 ASN HA H 4.860 0.000 1 239 25 25 ASN HB2 H 3.110 0.000 2 240 25 25 ASN HB3 H 2.810 0.000 2 241 25 25 ASN HD21 H 6.990 0.000 2 242 25 25 ASN HD22 H 7.590 0.000 2 243 25 25 ASN C C 176.610 0.000 1 244 25 25 ASN CA C 53.150 0.000 1 245 25 25 ASN CB C 39.430 0.000 1 246 25 25 ASN N N 118.870 0.000 1 247 25 25 ASN ND2 N 111.830 0.000 1 248 26 26 GLY H H 10.110 0.000 1 249 26 26 GLY HA2 H 3.220 0.000 2 250 26 26 GLY HA3 H 3.950 0.000 2 251 26 26 GLY C C 173.300 0.000 1 252 26 26 GLY CA C 45.590 0.000 1 253 26 26 GLY N N 110.130 0.000 1 254 27 27 TYR H H 8.010 0.000 1 255 27 27 TYR HA H 5.650 0.000 1 256 27 27 TYR HB2 H 2.990 0.000 2 257 27 27 TYR HB3 H 2.830 0.000 2 258 27 27 TYR HD1 H 6.805 0.000 1 259 27 27 TYR HD2 H 6.805 0.000 1 260 27 27 TYR HE1 H 6.770 0.000 1 261 27 27 TYR HE2 H 6.770 0.000 1 262 27 27 TYR C C 176.130 0.000 1 263 27 27 TYR CA C 57.291 0.000 1 264 27 27 TYR CB C 41.490 0.000 1 265 27 27 TYR CD1 C 132.120 0.000 1 266 27 27 TYR CD2 C 132.120 0.000 1 267 27 27 TYR CE1 C 117.400 0.000 1 268 27 27 TYR CE2 C 117.400 0.000 1 269 27 27 TYR N N 118.030 0.000 1 270 28 28 VAL H H 8.810 0.000 1 271 28 28 VAL HA H 5.140 0.000 1 272 28 28 VAL HB H 2.210 0.000 1 273 28 28 VAL HG1 H 0.840 0.000 2 274 28 28 VAL HG2 H 1.010 0.000 2 275 28 28 VAL C C 175.330 0.000 1 276 28 28 VAL CA C 59.091 0.000 1 277 28 28 VAL CB C 36.340 0.000 1 278 28 28 VAL CG1 C 19.569 0.000 1 279 28 28 VAL CG2 C 22.680 0.000 1 280 28 28 VAL N N 111.260 0.000 1 281 29 29 THR H H 7.450 0.000 1 282 29 29 THR HA H 4.680 0.000 1 283 29 29 THR HB H 4.570 0.000 1 284 29 29 THR HG2 H 1.330 0.000 1 285 29 29 THR C C 176.260 0.000 1 286 29 29 THR CA C 60.761 0.000 1 287 29 29 THR CB C 69.981 0.000 1 288 29 29 THR CG2 C 23.210 0.000 1 289 29 29 THR N N 111.560 0.000 1 290 30 30 VAL H H 7.990 0.000 1 291 30 30 VAL HA H 3.560 0.000 1 292 30 30 VAL HB H 1.920 0.000 1 293 30 30 VAL HG1 H 0.890 0.000 2 294 30 30 VAL HG2 H 0.890 0.000 2 295 30 30 VAL C C 177.080 0.000 1 296 30 30 VAL CA C 65.941 0.000 1 297 30 30 VAL CB C 31.400 0.000 1 298 30 30 VAL CG1 C 21.950 0.000 1 299 30 30 VAL CG2 C 21.950 0.000 1 300 30 30 VAL N N 119.990 0.000 1 301 31 31 ASP H H 8.060 0.000 1 302 31 31 ASP HA H 4.320 0.000 1 303 31 31 ASP HB2 H 2.460 0.000 2 304 31 31 ASP HB3 H 2.460 0.000 2 305 31 31 ASP C C 178.650 0.000 1 306 31 31 ASP CA C 57.411 0.000 1 307 31 31 ASP CB C 40.710 0.000 1 308 31 31 ASP N N 117.730 0.000 1 309 32 32 TYR H H 7.760 0.000 1 310 32 32 TYR HA H 4.200 0.000 1 311 32 32 TYR HB2 H 2.860 0.000 2 312 32 32 TYR HB3 H 2.440 0.000 2 313 32 32 TYR HD1 H 6.760 0.000 1 314 32 32 TYR HD2 H 6.760 0.000 1 315 32 32 TYR HE1 H 6.700 0.000 1 316 32 32 TYR HE2 H 6.700 0.000 1 317 32 32 TYR C C 177.040 0.000 1 318 32 32 TYR CA C 61.171 0.000 1 319 32 32 TYR CB C 37.840 0.000 1 320 32 32 TYR CD1 C 131.260 0.000 1 321 32 32 TYR CD2 C 131.260 0.000 1 322 32 32 TYR CE1 C 117.200 0.000 1 323 32 32 TYR CE2 C 117.200 0.000 1 324 32 32 TYR N N 121.060 0.000 1 325 33 33 LEU H H 8.170 0.000 1 326 33 33 LEU HA H 3.950 0.000 1 327 33 33 LEU HB2 H 1.960 0.000 2 328 33 33 LEU HB3 H 1.280 0.000 2 329 33 33 LEU HG H 1.280 0.000 1 330 33 33 LEU HD1 H 0.230 0.000 2 331 33 33 LEU HD2 H 0.230 0.000 2 332 33 33 LEU C C 178.060 0.000 1 333 33 33 LEU CA C 58.780 0.000 1 334 33 33 LEU CB C 42.140 0.000 1 335 33 33 LEU CG C 26.400 0.000 1 336 33 33 LEU CD1 C 26.140 0.000 1 337 33 33 LEU CD2 C 24.330 0.000 1 338 33 33 LEU N N 120.480 0.000 1 339 34 34 ARG H H 8.260 0.000 1 340 34 34 ARG HA H 3.690 0.000 1 341 34 34 ARG HB2 H 1.770 0.000 2 342 34 34 ARG HB3 H 1.770 0.000 2 343 34 34 ARG HG2 H 1.730 0.000 2 344 34 34 ARG HG3 H 1.430 0.000 2 345 34 34 ARG HD2 H 3.140 0.000 2 346 34 34 ARG HD3 H 3.140 0.000 2 347 34 34 ARG HE H 8.140 0.000 1 348 34 34 ARG C C 178.210 0.000 1 349 34 34 ARG CA C 60.381 0.000 1 350 34 34 ARG CB C 30.330 0.000 1 351 34 34 ARG CG C 29.280 0.000 1 352 34 34 ARG CD C 43.130 0.000 1 353 34 34 ARG N N 115.900 0.000 1 354 34 34 ARG NE N 110.440 0.000 1 355 35 35 LYS H H 7.460 0.000 1 356 35 35 LYS HA H 3.960 0.000 1 357 35 35 LYS HB2 H 1.880 0.000 2 358 35 35 LYS HB3 H 1.880 0.000 2 359 35 35 LYS HG2 H 1.510 0.000 2 360 35 35 LYS HG3 H 1.290 0.000 2 361 35 35 LYS HD2 H 1.570 0.000 2 362 35 35 LYS HD3 H 1.570 0.000 2 363 35 35 LYS HE2 H 3.020 0.000 2 364 35 35 LYS HE3 H 3.020 0.000 2 365 35 35 LYS CA C 59.851 0.000 1 366 35 35 LYS CB C 32.610 0.000 1 367 35 35 LYS CG C 24.890 0.000 1 368 35 35 LYS CD C 29.640 0.000 1 369 35 35 LYS CE C 42.260 0.000 1 370 35 35 LYS N N 119.800 0.000 1 371 36 36 VAL H H 8.020 0.000 1 372 36 36 VAL HA H 3.500 0.000 1 373 36 36 VAL HB H 1.850 0.000 1 374 36 36 VAL HG1 H 0.320 0.000 2 375 36 36 VAL HG2 H 0.540 0.000 2 376 36 36 VAL C C 178.790 0.000 1 377 36 36 VAL CA C 66.191 0.000 1 378 36 36 VAL CB C 31.820 0.000 1 379 36 36 VAL CG1 C 20.890 0.000 1 380 36 36 VAL CG2 C 22.950 0.000 1 381 36 36 VAL N N 119.380 0.000 1 382 37 37 LEU H H 8.250 0.000 1 383 37 37 LEU HA H 4.060 0.000 1 384 37 37 LEU HB2 H 1.950 0.000 2 385 37 37 LEU HB3 H 1.520 0.000 2 386 37 37 LEU HG H 2.100 0.000 1 387 37 37 LEU HD1 H 0.970 0.000 2 388 37 37 LEU HD2 H 1.010 0.000 2 389 37 37 LEU C C 179.560 0.000 1 390 37 37 LEU CA C 57.991 0.000 1 391 37 37 LEU CB C 41.010 0.000 1 392 37 37 LEU CG C 27.190 0.000 1 393 37 37 LEU CD1 C 26.660 0.000 1 394 37 37 LEU CD2 C 22.360 0.000 1 395 37 37 LEU N N 116.970 0.000 1 396 38 38 ASN H H 8.120 0.000 1 397 38 38 ASN HA H 4.580 0.000 1 398 38 38 ASN HB2 H 2.960 0.000 2 399 38 38 ASN HB3 H 2.820 0.000 2 400 38 38 ASN HD21 H 6.980 0.000 2 401 38 38 ASN HD22 H 7.610 0.000 2 402 38 38 ASN C C 177.520 0.000 1 403 38 38 ASN CA C 55.950 0.000 1 404 38 38 ASN CB C 39.090 0.000 1 405 38 38 ASN N N 116.710 0.000 1 406 38 38 ASN ND2 N 112.210 0.000 1 407 39 39 GLU H H 7.800 0.000 1 408 39 39 GLU HA H 4.250 0.000 1 409 39 39 GLU HB2 H 2.170 0.000 2 410 39 39 GLU HB3 H 2.170 0.000 2 411 39 39 GLU HG2 H 2.540 0.000 2 412 39 39 GLU HG3 H 2.320 0.000 2 413 39 39 GLU C C 177.680 0.000 1 414 39 39 GLU CA C 57.801 0.000 1 415 39 39 GLU CB C 29.570 0.000 1 416 39 39 GLU CG C 36.560 0.000 1 417 39 39 GLU N N 118.700 0.000 1 418 40 40 LEU H H 7.710 0.000 1 419 40 40 LEU HA H 4.370 0.000 1 420 40 40 LEU HB2 H 1.930 0.000 2 421 40 40 LEU HB3 H 1.670 0.000 2 422 40 40 LEU HG H 1.930 0.000 1 423 40 40 LEU HD1 H 0.921 0.000 2 424 40 40 LEU HD2 H 0.839 0.000 2 425 40 40 LEU C C 177.940 0.000 1 426 40 40 LEU CA C 55.751 0.000 1 427 40 40 LEU CB C 42.130 0.000 1 428 40 40 LEU CG C 26.900 0.000 1 429 40 40 LEU CD1 C 26.400 0.000 1 430 40 40 LEU CD2 C 23.000 0.000 1 431 40 40 LEU N N 118.760 0.000 1 432 41 41 GLY H H 7.780 0.000 1 433 41 41 GLY HA2 H 3.924 0.000 2 434 41 41 GLY HA3 H 3.924 0.000 2 435 41 41 GLY CA C 46.100 0.000 1 436 41 41 GLY N N 106.700 0.000 1 437 42 42 ASP H H 8.440 0.000 1 438 42 42 ASP HA H 4.560 0.000 1 439 42 42 ASP HB2 H 2.730 0.000 2 440 42 42 ASP HB3 H 2.730 0.000 2 441 42 42 ASP C C 176.280 0.000 1 442 42 42 ASP CA C 54.891 0.000 1 443 42 42 ASP CB C 40.410 0.000 1 444 42 42 ASP N N 120.920 0.000 1 445 43 43 MET H H 8.180 0.000 1 446 43 43 MET HA H 4.380 0.000 1 447 43 43 MET HB2 H 2.090 0.000 2 448 43 43 MET HB3 H 2.090 0.000 2 449 43 43 MET HG2 H 2.630 0.000 2 450 43 43 MET HG3 H 2.530 0.000 2 451 43 43 MET C C 175.810 0.000 1 452 43 43 MET CA C 56.801 0.000 1 453 43 43 MET CB C 33.140 0.000 1 454 43 43 MET CG C 32.180 0.000 1 455 43 43 MET N N 118.550 0.000 1 456 44 44 MET H H 7.920 0.000 1 457 44 44 MET HA H 4.870 0.000 1 458 44 44 MET HB2 H 2.010 0.000 2 459 44 44 MET HB3 H 1.940 0.000 2 460 44 44 MET CA C 53.170 0.000 1 461 44 44 MET CB C 33.870 0.000 1 462 44 44 MET N N 119.050 0.000 1 463 45 45 PRO HA H 4.530 0.000 1 464 45 45 PRO HB2 H 2.070 0.000 2 465 45 45 PRO HB3 H 2.430 0.000 2 466 45 45 PRO HG2 H 2.130 0.000 2 467 45 45 PRO HG3 H 2.030 0.000 2 468 45 45 PRO HD2 H 3.870 0.000 2 469 45 45 PRO HD3 H 3.650 0.000 2 470 45 45 PRO C C 177.450 0.000 1 471 45 45 PRO CA C 62.751 0.000 1 472 45 45 PRO CB C 32.340 0.000 1 473 45 45 PRO CG C 28.020 0.000 1 474 45 45 PRO CD C 50.900 0.000 1 475 46 46 ALA H H 8.660 0.000 1 476 46 46 ALA HA H 4.090 0.000 1 477 46 46 ALA HB H 1.530 0.000 1 478 46 46 ALA CA C 55.531 0.000 1 479 46 46 ALA CB C 18.870 0.000 1 480 46 46 ALA N N 126.480 0.000 1 481 47 47 ASP H H 8.840 0.000 1 482 47 47 ASP HA H 4.400 0.000 1 483 47 47 ASP HB2 H 2.770 0.000 2 484 47 47 ASP HB3 H 2.670 0.000 2 485 47 47 ASP C C 179.710 0.000 1 486 47 47 ASP CA C 56.701 0.000 1 487 47 47 ASP CB C 39.690 0.000 1 488 47 47 ASP N N 115.320 0.000 1 489 48 48 GLU H H 7.580 0.000 1 490 48 48 GLU HA H 4.270 0.000 1 491 48 48 GLU HB2 H 2.140 0.000 2 492 48 48 GLU HB3 H 2.140 0.000 2 493 48 48 GLU HG2 H 2.370 0.000 2 494 48 48 GLU HG3 H 2.370 0.000 2 495 48 48 GLU C C 178.700 0.000 1 496 48 48 GLU CA C 58.521 0.000 1 497 48 48 GLU CB C 29.900 0.000 1 498 48 48 GLU CG C 36.440 0.000 1 499 48 48 GLU N N 120.590 0.000 1 500 49 49 ILE H H 7.690 0.000 1 501 49 49 ILE HA H 3.780 0.000 1 502 49 49 ILE HB H 2.090 0.000 1 503 49 49 ILE HG12 H 1.680 0.000 2 504 49 49 ILE HG13 H 1.150 0.000 2 505 49 49 ILE HG2 H 0.940 0.000 1 506 49 49 ILE HD1 H 0.918 0.000 1 507 49 49 ILE C C 177.640 0.000 1 508 49 49 ILE CA C 65.131 0.000 1 509 49 49 ILE CB C 37.700 0.000 1 510 49 49 ILE CG1 C 29.140 0.000 1 511 49 49 ILE CG2 C 16.667 0.000 1 512 49 49 ILE CD1 C 13.090 0.000 1 513 49 49 ILE N N 119.990 0.000 1 514 50 50 GLU H H 8.040 0.000 1 515 50 50 GLU HA H 3.970 0.000 1 516 50 50 GLU HB2 H 2.090 0.000 2 517 50 50 GLU HB3 H 2.090 0.000 2 518 50 50 GLU HG2 H 2.430 0.000 2 519 50 50 GLU HG3 H 2.430 0.000 2 520 50 50 GLU C C 179.400 0.000 1 521 50 50 GLU CA C 59.181 0.000 1 522 50 50 GLU CB C 28.650 0.000 1 523 50 50 GLU CG C 35.690 0.000 1 524 50 50 GLU N N 117.290 0.000 1 525 51 51 GLU H H 7.750 0.000 1 526 51 51 GLU HA H 4.220 0.000 1 527 51 51 GLU HB2 H 2.210 0.000 2 528 51 51 GLU HB3 H 2.210 0.000 2 529 51 51 GLU HG2 H 2.430 0.000 2 530 51 51 GLU HG3 H 2.430 0.000 2 531 51 51 GLU C C 179.810 0.000 1 532 51 51 GLU CA C 59.451 0.000 1 533 51 51 GLU CB C 29.310 0.000 1 534 51 51 GLU CG C 35.740 0.000 1 535 51 51 GLU N N 119.160 0.000 1 536 52 52 MET H H 7.998 0.000 1 537 52 52 MET HA H 4.200 0.000 1 538 52 52 MET HB2 H 2.360 0.000 2 539 52 52 MET HB3 H 2.050 0.000 2 540 52 52 MET HG2 H 2.750 0.000 2 541 52 52 MET HG3 H 2.500 0.000 2 542 52 52 MET CA C 59.191 0.000 1 543 52 52 MET CB C 33.580 0.000 1 544 52 52 MET CG C 32.680 0.000 1 545 52 52 MET N N 118.780 0.000 1 546 53 53 ILE H H 8.420 0.000 1 547 53 53 ILE HA H 3.530 0.000 1 548 53 53 ILE HB H 1.940 0.000 1 549 53 53 ILE HG12 H 1.980 0.000 2 550 53 53 ILE HG13 H 0.685 0.000 2 551 53 53 ILE HG2 H 0.830 0.000 1 552 53 53 ILE HD1 H 0.691 0.000 1 553 53 53 ILE C C 177.086 0.000 1 554 53 53 ILE CA C 66.669 0.000 1 555 53 53 ILE CB C 37.680 0.000 1 556 53 53 ILE CG1 C 30.190 0.000 1 557 53 53 ILE CG2 C 17.650 0.000 1 558 53 53 ILE CD1 C 14.050 0.000 1 559 53 53 ILE N N 120.910 0.000 1 560 54 54 TYR H H 7.850 0.000 1 561 54 54 TYR HA H 4.300 0.000 1 562 54 54 TYR HB2 H 3.200 0.000 2 563 54 54 TYR HB3 H 3.200 0.000 2 564 54 54 TYR HD1 H 7.210 0.000 1 565 54 54 TYR HD2 H 7.210 0.000 1 566 54 54 TYR HE1 H 6.860 0.000 1 567 54 54 TYR HE2 H 6.860 0.000 1 568 54 54 TYR C C 177.910 0.000 1 569 54 54 TYR CA C 60.771 0.000 1 570 54 54 TYR CB C 37.550 0.000 1 571 54 54 TYR CD1 C 132.230 0.000 1 572 54 54 TYR CD2 C 132.230 0.000 1 573 54 54 TYR CE1 C 117.330 0.000 1 574 54 54 TYR CE2 C 117.330 0.000 1 575 54 54 TYR N N 119.030 0.000 1 576 55 55 GLU H H 7.850 0.000 1 577 55 55 GLU HA H 3.900 0.000 1 578 55 55 GLU HB2 H 2.140 0.000 2 579 55 55 GLU HB3 H 2.140 0.000 2 580 55 55 GLU HG2 H 2.580 0.000 2 581 55 55 GLU HG3 H 2.410 0.000 2 582 55 55 GLU C C 178.280 0.000 1 583 55 55 GLU CA C 58.391 0.000 1 584 55 55 GLU CB C 29.510 0.000 1 585 55 55 GLU CG C 36.210 0.000 1 586 55 55 GLU N N 115.700 0.000 1 587 56 56 ALA H H 8.009 0.000 1 588 56 56 ALA HA H 4.390 0.000 1 589 56 56 ALA HB H 1.660 0.000 1 590 56 56 ALA C C 177.670 0.000 1 591 56 56 ALA CA C 53.170 0.000 1 592 56 56 ALA CB C 19.990 0.000 1 593 56 56 ALA N N 119.710 0.000 1 594 57 57 ASP H H 8.020 0.000 1 595 57 57 ASP HA H 5.340 0.000 1 596 57 57 ASP HB2 H 2.700 0.000 2 597 57 57 ASP HB3 H 2.370 0.000 2 598 57 57 ASP CA C 52.310 0.000 1 599 57 57 ASP CB C 40.870 0.000 1 600 57 57 ASP N N 117.020 0.000 1 601 58 58 PRO HA H 4.310 0.000 1 602 58 58 PRO HB2 H 1.940 0.000 2 603 58 58 PRO HB3 H 2.100 0.000 2 604 58 58 PRO HG2 H 2.080 0.000 2 605 58 58 PRO HG3 H 1.950 0.000 2 606 58 58 PRO HD2 H 3.760 0.000 2 607 58 58 PRO HD3 H 3.530 0.000 2 608 58 58 PRO C C 178.470 0.000 1 609 58 58 PRO CA C 65.331 0.000 1 610 58 58 PRO CB C 31.630 0.000 1 611 58 58 PRO CG C 27.430 0.000 1 612 58 58 PRO CD C 50.440 0.000 1 613 59 59 GLN H H 8.750 0.000 1 614 59 59 GLN HA H 4.510 0.000 1 615 59 59 GLN HB2 H 2.370 0.000 2 616 59 59 GLN HB3 H 2.030 0.000 2 617 59 59 GLN HG2 H 2.390 0.000 2 618 59 59 GLN HG3 H 2.390 0.000 2 619 59 59 GLN HE21 H 6.880 0.000 2 620 59 59 GLN HE22 H 7.560 0.000 2 621 59 59 GLN C C 176.290 0.000 1 622 59 59 GLN CA C 54.881 0.000 1 623 59 59 GLN CB C 27.580 0.000 1 624 59 59 GLN CG C 34.450 0.000 1 625 59 59 GLN N N 115.810 0.000 1 626 59 59 GLN NE2 N 111.960 0.000 1 627 60 60 ASN H H 8.350 0.000 1 628 60 60 ASN HA H 4.400 0.000 1 629 60 60 ASN HB2 H 3.160 0.000 2 630 60 60 ASN HB3 H 2.700 0.000 2 631 60 60 ASN HD21 H 6.760 0.000 2 632 60 60 ASN HD22 H 7.550 0.000 2 633 60 60 ASN C C 175.330 0.000 1 634 60 60 ASN CA C 54.411 0.000 1 635 60 60 ASN CB C 36.770 0.000 1 636 60 60 ASN N N 118.250 0.000 1 637 60 60 ASN ND2 N 111.490 0.000 1 638 61 61 SER H H 9.990 0.000 1 639 61 61 SER HA H 4.300 0.000 1 640 61 61 SER HB2 H 4.056 0.000 2 641 61 61 SER HB3 H 4.056 0.000 2 642 61 61 SER C C 176.810 0.000 1 643 61 61 SER CA C 60.881 0.000 1 644 61 61 SER CB C 65.031 0.000 1 645 61 61 SER N N 118.650 0.000 1 646 62 62 GLY H H 10.440 0.000 1 647 62 62 GLY HA2 H 3.470 0.000 2 648 62 62 GLY HA3 H 4.240 0.000 2 649 62 62 GLY C C 173.960 0.000 1 650 62 62 GLY CA C 45.330 0.000 1 651 62 62 GLY N N 112.630 0.000 1 652 63 63 TYR H H 8.180 0.000 1 653 63 63 TYR HA H 5.250 0.000 1 654 63 63 TYR HB2 H 2.850 0.000 2 655 63 63 TYR HB3 H 2.640 0.000 2 656 63 63 TYR HD1 H 6.780 0.000 1 657 63 63 TYR HD2 H 6.780 0.000 1 658 63 63 TYR HE1 H 6.810 0.000 1 659 63 63 TYR HE2 H 6.810 0.000 1 660 63 63 TYR C C 173.900 0.000 1 661 63 63 TYR CA C 57.271 0.000 1 662 63 63 TYR CB C 42.760 0.000 1 663 63 63 TYR CD1 C 132.020 0.000 1 664 63 63 TYR CD2 C 132.020 0.000 1 665 63 63 TYR CE1 C 117.450 0.000 1 666 63 63 TYR CE2 C 117.450 0.000 1 667 63 63 TYR N N 121.250 0.000 1 668 64 64 VAL H H 8.930 0.000 1 669 64 64 VAL HA H 4.480 0.000 1 670 64 64 VAL HB H 1.680 0.000 1 671 64 64 VAL HG1 H 0.680 0.000 2 672 64 64 VAL HG2 H 0.680 0.000 2 673 64 64 VAL C C 174.240 0.000 1 674 64 64 VAL CA C 60.181 0.000 1 675 64 64 VAL CB C 36.590 0.000 1 676 64 64 VAL CG1 C 21.800 0.000 1 677 64 64 VAL CG2 C 21.800 0.000 1 678 64 64 VAL N N 115.490 0.000 1 679 65 65 GLN H H 8.870 0.000 1 680 65 65 GLN HA H 4.430 0.000 1 681 65 65 GLN HB2 H 2.200 0.000 2 682 65 65 GLN HB3 H 1.660 0.000 2 683 65 65 GLN HG2 H 2.060 0.000 2 684 65 65 GLN HG3 H 1.650 0.000 2 685 65 65 GLN HE21 H 6.800 0.000 2 686 65 65 GLN HE22 H 7.060 0.000 2 687 65 65 GLN C C 177.110 0.000 1 688 65 65 GLN CA C 55.171 0.000 1 689 65 65 GLN CB C 27.790 0.000 1 690 65 65 GLN CG C 34.350 0.000 1 691 65 65 GLN N N 128.370 0.000 1 692 65 65 GLN NE2 N 110.720 0.000 1 693 66 66 TYR H H 7.490 0.000 1 694 66 66 TYR HA H 4.010 0.000 1 695 66 66 TYR HB2 H 2.420 0.000 2 696 66 66 TYR HB3 H 2.150 0.000 2 697 66 66 TYR HD2 H 6.700 0.000 1 698 66 66 TYR HE2 H 6.780 0.000 1 699 66 66 TYR C C 176.650 0.000 1 700 66 66 TYR CA C 60.281 0.000 1 701 66 66 TYR CB C 37.510 0.000 1 702 66 66 TYR CD2 C 132.930 0.000 1 703 66 66 TYR CE2 C 116.900 0.000 1 704 66 66 TYR N N 124.870 0.000 1 705 67 67 GLU H H 9.010 0.000 1 706 67 67 GLU HA H 3.950 0.000 1 707 67 67 GLU HB2 H 1.960 0.000 2 708 67 67 GLU HB3 H 1.960 0.000 2 709 67 67 GLU HG2 H 2.120 0.000 2 710 67 67 GLU HG3 H 2.120 0.000 2 711 67 67 GLU C C 179.630 0.000 1 712 67 67 GLU CA C 60.741 0.000 1 713 67 67 GLU CB C 28.910 0.000 1 714 67 67 GLU CG C 37.370 0.000 1 715 67 67 GLU N N 125.080 0.000 1 716 68 68 THR H H 7.550 0.000 1 717 68 68 THR HA H 4.000 0.000 1 718 68 68 THR HB H 4.220 0.000 1 719 68 68 THR HG2 H 1.260 0.000 1 720 68 68 THR C C 176.510 0.000 1 721 68 68 THR CA C 64.921 0.000 1 722 68 68 THR CB C 68.451 0.000 1 723 68 68 THR CG2 C 22.340 0.000 1 724 68 68 THR N N 114.620 0.000 1 725 69 69 PHE H H 7.740 0.000 1 726 69 69 PHE HA H 4.130 0.000 1 727 69 69 PHE HB2 H 2.990 0.000 2 728 69 69 PHE HB3 H 2.990 0.000 2 729 69 69 PHE HD2 H 6.960 0.000 1 730 69 69 PHE HZ H 7.085 0.000 1 731 69 69 PHE C C 177.160 0.000 1 732 69 69 PHE CA C 61.791 0.000 1 733 69 69 PHE CB C 40.070 0.000 1 734 69 69 PHE CD2 C 130.700 0.000 1 735 69 69 PHE CZ C 128.530 0.000 1 736 69 69 PHE N N 122.710 0.000 1 737 70 70 VAL H H 8.600 0.000 1 738 70 70 VAL HA H 3.690 0.000 1 739 70 70 VAL HB H 2.340 0.000 1 740 70 70 VAL HG1 H 1.170 0.000 2 741 70 70 VAL HG2 H 1.340 0.000 2 742 70 70 VAL C C 178.010 0.000 1 743 70 70 VAL CA C 66.391 0.000 1 744 70 70 VAL CB C 31.620 0.000 1 745 70 70 VAL CG1 C 22.330 0.000 1 746 70 70 VAL CG2 C 24.080 0.000 1 747 70 70 VAL N N 116.340 0.000 1 748 71 71 GLY H H 7.690 0.000 1 749 71 71 GLY HA2 H 3.920 0.000 2 750 71 71 GLY HA3 H 4.040 0.000 2 751 71 71 GLY C C 174.980 0.000 1 752 71 71 GLY CA C 46.750 0.000 1 753 71 71 GLY N N 105.990 0.000 1 754 72 72 MET H H 7.450 0.000 1 755 72 72 MET HA H 4.260 0.000 1 756 72 72 MET HB2 H 2.010 0.000 2 757 72 72 MET HB3 H 2.010 0.000 2 758 72 72 MET HG2 H 2.620 0.000 2 759 72 72 MET HG3 H 2.520 0.000 2 760 72 72 MET C C 176.400 0.000 1 761 72 72 MET CA C 56.611 0.000 1 762 72 72 MET CB C 33.000 0.000 1 763 72 72 MET CG C 31.930 0.000 1 764 72 72 MET N N 117.740 0.000 1 765 73 73 LEU H H 7.380 0.000 1 766 73 73 LEU HA H 4.020 0.000 1 767 73 73 LEU HB2 H 1.630 0.000 2 768 73 73 LEU HB3 H 1.200 0.000 2 769 73 73 LEU HG H 1.440 0.000 1 770 73 73 LEU HD1 H 0.680 0.000 2 771 73 73 LEU HD2 H 0.850 0.000 2 772 73 73 LEU C C 176.700 0.000 1 773 73 73 LEU CA C 55.521 0.000 1 774 73 73 LEU CB C 43.100 0.000 1 775 73 73 LEU CG C 26.400 0.000 1 776 73 73 LEU CD1 C 23.790 0.000 1 777 73 73 LEU CD2 C 25.360 0.000 1 778 73 73 LEU N N 118.370 0.000 1 779 74 74 PHE H H 7.830 0.000 1 780 74 74 PHE HA H 4.490 0.000 1 781 74 74 PHE HB2 H 3.070 0.000 2 782 74 74 PHE HB3 H 2.790 0.000 2 783 74 74 PHE HD1 H 7.260 0.000 1 784 74 74 PHE HD2 H 7.260 0.000 1 785 74 74 PHE HE1 H 7.240 0.000 1 786 74 74 PHE HE2 H 7.240 0.000 1 787 74 74 PHE C C 175.380 0.000 1 788 74 74 PHE CA C 57.381 0.000 1 789 74 74 PHE CB C 38.410 0.000 1 790 74 74 PHE CD1 C 131.170 0.000 1 791 74 74 PHE CD2 C 131.170 0.000 1 792 74 74 PHE CE1 C 129.840 0.000 1 793 74 74 PHE CE2 C 129.840 0.000 1 794 74 74 PHE N N 117.280 0.000 1 795 75 75 LEU H H 7.270 0.000 1 796 75 75 LEU HA H 4.150 0.000 1 797 75 75 LEU HB2 H 1.120 0.000 2 798 75 75 LEU HB3 H 1.070 0.000 2 799 75 75 LEU HG H 1.260 0.000 1 800 75 75 LEU HD1 H 0.740 0.000 2 801 75 75 LEU HD2 H 0.740 0.000 2 802 75 75 LEU C C 176.640 0.000 1 803 75 75 LEU CA C 55.451 0.000 1 804 75 75 LEU CB C 41.790 0.000 1 805 75 75 LEU CG C 26.700 0.000 1 806 75 75 LEU CD1 C 25.090 0.000 1 807 75 75 LEU CD2 C 23.510 0.000 1 808 75 75 LEU N N 120.310 0.000 1 809 76 76 TRP H H 7.870 0.000 1 810 76 76 TRP HA H 4.810 0.000 1 811 76 76 TRP HB2 H 3.460 0.000 2 812 76 76 TRP HB3 H 3.190 0.000 2 813 76 76 TRP HD1 H 7.260 0.000 1 814 76 76 TRP HE1 H 10.140 0.000 1 815 76 76 TRP HZ2 H 7.340 0.000 1 816 76 76 TRP HZ3 H 7.060 0.000 1 817 76 76 TRP HH2 H 7.040 0.000 1 818 76 76 TRP C C 175.050 0.000 1 819 76 76 TRP CA C 57.081 0.000 1 820 76 76 TRP CB C 29.700 0.000 1 821 76 76 TRP CD1 C 126.120 0.000 1 822 76 76 TRP CZ2 C 113.470 0.000 1 823 76 76 TRP CZ3 C 120.690 0.000 1 824 76 76 TRP CH2 C 123.090 0.000 1 825 76 76 TRP N N 119.350 0.000 1 826 76 76 TRP NE1 N 129.260 0.000 1 827 77 77 ASP H H 7.970 0.000 1 828 77 77 ASP HB2 H 2.750 0.000 2 829 77 77 ASP HB3 H 2.620 0.000 2 830 77 77 ASP CA C 56.291 0.000 1 831 77 77 ASP CB C 42.620 0.000 1 832 77 77 ASP N N 126.550 0.000 1 stop_ save_