data_18906 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments of an N-terminal domain of CHD4 ; _BMRB_accession_number 18906 _BMRB_flat_file_name bmr18906.str _Entry_type original _Submission_date 2012-12-17 _Accession_date 2012-12-17 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone and side chain resonance assignments for an N-terminal domain of the human CHD4 at pH 7.5 and 25 C.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Silva Ana PG . 2 Mackay Joel P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 476 "13C chemical shifts" 306 "15N chemical shifts" 74 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-20 original author . stop_ _Original_release_date 2013-02-20 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C and 15N resonance assignments of an N-terminal domain of CHD4' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23417793 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Silva Ana PG . 2 Kwan Ann H. . 3 Mackay Joel P. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword CHD4 'chromatin remodeling' 'N-terminal domain' NuRD 'PAR-binding motif' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CHD4 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CHD4 $CHD4 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_CHD4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CHD4 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 86 _Mol_residue_sequence ; GPLGSSKEPKSSAQLLEDWG MEDIDHVFSEEDYRTLTNYK AFSQFVRPLIAAKNPKIAVS KMMMVLGAKWREFSTNNPFK GSSGAS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 140 GLY 2 141 PRO 3 142 LEU 4 143 GLY 5 144 SER 6 145 SER 7 146 LYS 8 147 GLU 9 148 PRO 10 149 LYS 11 150 SER 12 151 SER 13 152 ALA 14 153 GLN 15 154 LEU 16 155 LEU 17 156 GLU 18 157 ASP 19 158 TRP 20 159 GLY 21 160 MET 22 161 GLU 23 162 ASP 24 163 ILE 25 164 ASP 26 165 HIS 27 166 VAL 28 167 PHE 29 168 SER 30 169 GLU 31 170 GLU 32 171 ASP 33 172 TYR 34 173 ARG 35 174 THR 36 175 LEU 37 176 THR 38 177 ASN 39 178 TYR 40 179 LYS 41 180 ALA 42 181 PHE 43 182 SER 44 183 GLN 45 184 PHE 46 185 VAL 47 186 ARG 48 187 PRO 49 188 LEU 50 189 ILE 51 190 ALA 52 191 ALA 53 192 LYS 54 193 ASN 55 194 PRO 56 195 LYS 57 196 ILE 58 197 ALA 59 198 VAL 60 199 SER 61 200 LYS 62 201 MET 63 202 MET 64 203 MET 65 204 VAL 66 205 LEU 67 206 GLY 68 207 ALA 69 208 LYS 70 209 TRP 71 210 ARG 72 211 GLU 73 212 PHE 74 213 SER 75 214 THR 76 215 ASN 77 216 ASN 78 217 PRO 79 218 PHE 80 219 LYS 81 220 GLY 82 221 SER 83 222 SER 84 223 GLY 85 224 ALA 86 225 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-19 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 BAD90499 "mKIAA4075 protein [Mus musculus]" 94.19 1945 100.00 100.00 7.14e-46 DBJ BAE26488 "unnamed protein product [Mus musculus]" 94.19 342 100.00 100.00 1.68e-50 DBJ BAG54725 "unnamed protein product [Homo sapiens]" 94.19 1886 100.00 100.00 7.33e-46 EMBL CAA60384 "Mi-2 protein [Homo sapiens]" 94.19 1912 100.00 100.00 7.47e-46 GB AAH14964 "CHD4 protein, partial [Homo sapiens]" 94.19 355 100.00 100.00 1.97e-50 GB AAH25962 "CHD4 protein, partial [Homo sapiens]" 94.19 355 100.00 100.00 1.97e-50 GB AAH38596 "CHD4 protein [Homo sapiens]" 94.19 1937 100.00 100.00 7.69e-46 GB AAH58578 "Chromodomain helicase DNA binding protein 4 [Mus musculus]" 94.19 1915 100.00 100.00 6.60e-46 GB AAI51804 "CHD4 protein [Bos taurus]" 94.19 354 100.00 100.00 1.70e-50 REF NP_001193430 "chromodomain-helicase-DNA-binding protein 4 [Bos taurus]" 94.19 1912 100.00 100.00 7.69e-46 REF NP_001264 "chromodomain-helicase-DNA-binding protein 4 isoform 1 [Homo sapiens]" 94.19 1912 100.00 100.00 7.19e-46 REF NP_001284482 "chromodomain-helicase-DNA-binding protein 4 isoform 2 [Homo sapiens]" 94.19 1905 100.00 100.00 6.83e-46 REF NP_666091 "chromodomain-helicase-DNA-binding protein 4 [Mus musculus]" 94.19 1915 100.00 100.00 6.60e-46 REF XP_001063352 "PREDICTED: chromodomain-helicase-DNA-binding protein 4 isoform X1 [Rattus norvegicus]" 94.19 1921 100.00 100.00 7.01e-46 SP Q14839 "RecName: Full=Chromodomain-helicase-DNA-binding protein 4; Short=CHD-4; AltName: Full=ATP-dependent helicase CHD4; AltName: Ful" 94.19 1912 100.00 100.00 7.19e-46 SP Q6PDQ2 "RecName: Full=Chromodomain-helicase-DNA-binding protein 4; Short=CHD-4" 94.19 1915 100.00 100.00 6.60e-46 TPG DAA29256 "TPA: chromodomain helicase DNA binding protein 4 [Bos taurus]" 94.19 1912 100.00 100.00 7.69e-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 $CHD4 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 $CHD4 'recombinant technology' . Escherichia coli . pGEX6P 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 $CHD4 350 uM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' D2O 5 % 'natural abundance' DSS 0.2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_2D_DQF-COSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _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_ save_2D_1H-13C_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 230 . mM pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-1H TOCSY' '2D DQF-COSY' '3D CBCA(CO)NH' '3D HNCO' '2D 1H-13C HSQC' '3D HNCACB' '3D HBHA(CO)NH' '3D HNHA' '3D C(CO)NH' '3D HCCH-TOCSY' '3D H(CCO)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 CHD4 _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 1 141 2 PRO HA H 4.459 0.002 . 2 141 2 PRO HB2 H 2.305 0.001 . 3 141 2 PRO HB3 H 1.944 0.004 . 4 141 2 PRO HG2 H 2.009 0.003 . 5 141 2 PRO HG3 H 2.009 0.003 . 6 141 2 PRO HD2 H 3.594 0.009 . 7 141 2 PRO HD3 H 3.549 0.011 . 8 141 2 PRO CA C 63.213 0.047 . 9 141 2 PRO CB C 32.413 0.036 . 10 141 2 PRO CG C 27.110 0.027 . 11 141 2 PRO CD C 49.732 0.032 . 12 142 3 LEU HA H 4.363 0.002 . 13 142 3 LEU HB2 H 1.693 0.006 . 14 142 3 LEU HB3 H 1.616 0.005 . 15 142 3 LEU HG H 1.665 0.005 . 16 142 3 LEU HD1 H 0.940 0.004 . 17 142 3 LEU HD2 H 0.895 0.002 . 18 142 3 LEU CA C 55.535 0.026 . 19 142 3 LEU CB C 42.350 0.000 . 20 142 3 LEU CG C 27.105 0.014 . 21 142 3 LEU CD1 C 24.868 0.054 . 22 142 3 LEU CD2 C 23.586 0.029 . 23 146 7 LYS HA H 4.341 0.003 . 24 146 7 LYS HB2 H 1.859 0.001 . 25 146 7 LYS HB3 H 1.725 0.003 . 26 146 7 LYS HG2 H 1.447 0.004 . 27 146 7 LYS HG3 H 1.401 0.005 . 28 146 7 LYS HD2 H 1.669 0.001 . 29 146 7 LYS HD3 H 1.669 0.001 . 30 146 7 LYS HE2 H 2.984 0.002 . 31 146 7 LYS HE3 H 2.984 0.002 . 32 146 7 LYS CA C 56.137 0.099 . 33 146 7 LYS CB C 32.972 0.038 . 34 146 7 LYS CG C 24.830 0.001 . 35 147 8 GLU H H 8.254 0.003 . 36 147 8 GLU HA H 4.539 0.004 . 37 147 8 GLU HB2 H 2.016 0.004 . 38 147 8 GLU HB3 H 1.870 0.006 . 39 147 8 GLU HG2 H 2.314 0.004 . 40 147 8 GLU HG3 H 2.269 0.010 . 41 147 8 GLU CA C 54.452 0.067 . 42 147 8 GLU CB C 29.644 0.036 . 43 147 8 GLU CG C 36.001 0.004 . 44 147 8 GLU N N 122.721 0.052 . 45 148 9 PRO HA H 4.432 0.014 . 46 148 9 PRO HB2 H 2.260 0.018 . 47 148 9 PRO HB3 H 1.880 0.019 . 48 148 9 PRO HG2 H 1.963 0.005 . 49 148 9 PRO HG3 H 1.963 0.005 . 50 148 9 PRO HD2 H 3.769 0.014 . 51 148 9 PRO HD3 H 3.672 0.003 . 52 148 9 PRO C C 176.292 0.000 . 53 148 9 PRO CA C 62.995 0.200 . 54 148 9 PRO CB C 32.049 0.179 . 55 148 9 PRO CG C 27.256 0.034 . 56 148 9 PRO CD C 50.652 0.040 . 57 149 10 LYS H H 8.278 0.004 . 58 149 10 LYS HA H 4.281 0.008 . 59 149 10 LYS HB2 H 1.616 0.005 . 60 149 10 LYS HB3 H 1.616 0.005 . 61 149 10 LYS HG2 H 1.505 0.012 . 62 149 10 LYS HG3 H 1.386 0.005 . 63 149 10 LYS HD2 H 1.478 0.008 . 64 149 10 LYS HD3 H 1.478 0.008 . 65 149 10 LYS HE2 H 2.872 0.009 . 66 149 10 LYS HE3 H 2.827 0.015 . 67 149 10 LYS C C 176.349 0.000 . 68 149 10 LYS CA C 56.493 0.050 . 69 149 10 LYS CB C 33.985 0.080 . 70 149 10 LYS CG C 25.882 0.036 . 71 149 10 LYS CD C 29.571 0.087 . 72 149 10 LYS CE C 41.942 0.058 . 73 149 10 LYS N N 121.503 0.064 . 74 150 11 SER H H 8.619 0.005 . 75 150 11 SER HA H 4.490 0.034 . 76 150 11 SER HB2 H 4.412 0.001 . 77 150 11 SER HB3 H 4.012 0.012 . 78 150 11 SER C C 174.432 0.000 . 79 150 11 SER CA C 56.866 0.107 . 80 150 11 SER CB C 64.971 0.064 . 81 150 11 SER N N 118.831 0.053 . 82 151 12 SER H H 10.462 0.007 . 83 151 12 SER HA H 3.993 0.063 . 84 151 12 SER HB2 H 3.840 0.004 . 85 151 12 SER HB3 H 3.733 0.010 . 86 151 12 SER C C 175.721 0.000 . 87 151 12 SER CA C 62.524 0.048 . 88 151 12 SER CB C 62.480 0.047 . 89 151 12 SER N N 118.731 0.040 . 90 152 13 ALA H H 8.251 0.005 . 91 152 13 ALA HA H 4.009 0.009 . 92 152 13 ALA HB H 1.411 0.008 . 93 152 13 ALA C C 179.996 0.000 . 94 152 13 ALA CA C 55.345 0.040 . 95 152 13 ALA CB C 18.552 0.035 . 96 152 13 ALA N N 123.648 0.044 . 97 153 14 GLN H H 7.827 0.005 . 98 153 14 GLN HA H 3.885 0.009 . 99 153 14 GLN HB2 H 2.173 0.006 . 100 153 14 GLN HB3 H 1.913 0.009 . 101 153 14 GLN HG2 H 2.339 0.006 . 102 153 14 GLN HG3 H 2.339 0.006 . 103 153 14 GLN HE21 H 7.789 0.004 . 104 153 14 GLN HE22 H 6.864 0.003 . 105 153 14 GLN C C 177.349 0.000 . 106 153 14 GLN CA C 58.340 0.052 . 107 153 14 GLN CB C 29.137 0.188 . 108 153 14 GLN CG C 34.360 0.029 . 109 153 14 GLN N N 118.739 0.044 . 110 153 14 GLN NE2 N 114.017 0.282 . 111 154 15 LEU H H 7.928 0.004 . 112 154 15 LEU HA H 3.294 0.005 . 113 154 15 LEU HB2 H 1.597 0.004 . 114 154 15 LEU HB3 H 0.643 0.007 . 115 154 15 LEU HG H 1.431 0.002 . 116 154 15 LEU HD1 H 0.653 0.003 . 117 154 15 LEU HD2 H 0.499 0.002 . 118 154 15 LEU C C 177.094 0.000 . 119 154 15 LEU CA C 57.603 0.037 . 120 154 15 LEU CB C 41.625 0.048 . 121 154 15 LEU CG C 26.115 0.041 . 122 154 15 LEU CD1 C 26.149 0.011 . 123 154 15 LEU CD2 C 22.729 0.068 . 124 154 15 LEU N N 119.301 0.054 . 125 155 16 LEU H H 7.736 0.009 . 126 155 16 LEU HA H 3.863 0.011 . 127 155 16 LEU HB2 H 1.817 0.009 . 128 155 16 LEU HB3 H 1.161 0.006 . 129 155 16 LEU HG H 0.915 0.005 . 130 155 16 LEU HD1 H 0.800 0.003 . 131 155 16 LEU HD2 H 0.800 0.003 . 132 155 16 LEU C C 178.816 0.000 . 133 155 16 LEU CA C 58.479 0.045 . 134 155 16 LEU CB C 41.080 0.043 . 135 155 16 LEU CG C 24.480 0.060 . 136 155 16 LEU CD1 C 26.219 0.103 . 137 155 16 LEU N N 114.563 0.077 . 138 156 17 GLU H H 7.871 0.004 . 139 156 17 GLU HA H 4.083 0.012 . 140 156 17 GLU HB2 H 2.115 0.012 . 141 156 17 GLU HB3 H 2.059 0.013 . 142 156 17 GLU HG2 H 2.335 0.007 . 143 156 17 GLU HG3 H 2.219 0.031 . 144 156 17 GLU C C 180.122 0.000 . 145 156 17 GLU CA C 59.585 0.028 . 146 156 17 GLU CB C 29.760 0.156 . 147 156 17 GLU CG C 36.354 0.033 . 148 156 17 GLU N N 119.087 0.045 . 149 157 18 ASP H H 8.607 0.004 . 150 157 18 ASP HA H 4.280 0.009 . 151 157 18 ASP HB2 H 2.522 0.007 . 152 157 18 ASP HB3 H 2.325 0.008 . 153 157 18 ASP C C 178.264 0.000 . 154 157 18 ASP CA C 57.174 0.056 . 155 157 18 ASP CB C 39.760 0.019 . 156 157 18 ASP N N 121.942 0.034 . 157 158 19 TRP H H 7.650 0.005 . 158 158 19 TRP HA H 5.097 0.009 . 159 158 19 TRP HB2 H 3.420 0.009 . 160 158 19 TRP HB3 H 3.306 0.007 . 161 158 19 TRP HD1 H 7.156 0.007 . 162 158 19 TRP HE1 H 10.183 0.004 . 163 158 19 TRP HE3 H 7.533 0.005 . 164 158 19 TRP HZ2 H 7.545 0.002 . 165 158 19 TRP HZ3 H 7.029 0.002 . 166 158 19 TRP HH2 H 7.361 0.002 . 167 158 19 TRP C C 176.183 0.000 . 168 158 19 TRP CA C 54.664 0.053 . 169 158 19 TRP CB C 29.744 0.044 . 170 158 19 TRP N N 116.894 0.025 . 171 158 19 TRP NE1 N 127.478 0.000 . 172 159 20 GLY H H 8.179 0.004 . 173 159 20 GLY HA2 H 4.062 0.013 . 174 159 20 GLY HA3 H 4.062 0.013 . 175 159 20 GLY C C 174.521 0.000 . 176 159 20 GLY CA C 47.047 0.062 . 177 159 20 GLY N N 111.136 0.052 . 178 160 21 MET H H 8.627 0.004 . 179 160 21 MET HA H 4.575 0.006 . 180 160 21 MET HB2 H 2.125 0.005 . 181 160 21 MET HB3 H 1.950 0.005 . 182 160 21 MET HG2 H 2.546 0.002 . 183 160 21 MET HG3 H 2.546 0.002 . 184 160 21 MET C C 174.019 0.000 . 185 160 21 MET CA C 55.189 0.065 . 186 160 21 MET CB C 37.207 0.164 . 187 160 21 MET CG C 33.738 0.024 . 188 160 21 MET N N 118.900 0.025 . 189 161 22 GLU H H 8.798 0.005 . 190 161 22 GLU HA H 4.538 0.008 . 191 161 22 GLU HB2 H 2.059 0.005 . 192 161 22 GLU HB3 H 1.781 0.005 . 193 161 22 GLU HG2 H 2.402 0.010 . 194 161 22 GLU HG3 H 2.321 0.012 . 195 161 22 GLU C C 174.909 0.000 . 196 161 22 GLU CA C 55.346 0.041 . 197 161 22 GLU CB C 33.231 0.050 . 198 161 22 GLU CG C 36.438 0.018 . 199 161 22 GLU N N 119.822 0.037 . 200 162 23 ASP H H 8.658 0.005 . 201 162 23 ASP HA H 4.806 0.006 . 202 162 23 ASP HB2 H 2.786 0.011 . 203 162 23 ASP HB3 H 2.615 0.010 . 204 162 23 ASP C C 176.243 0.000 . 205 162 23 ASP CA C 51.664 0.051 . 206 162 23 ASP CB C 41.500 0.037 . 207 162 23 ASP N N 120.501 0.064 . 208 163 24 ILE H H 8.924 0.004 . 209 163 24 ILE HA H 4.072 0.003 . 210 163 24 ILE HB H 2.085 0.001 . 211 163 24 ILE HG12 H 1.516 0.005 . 212 163 24 ILE HG13 H 0.993 0.012 . 213 163 24 ILE HG2 H 0.908 0.001 . 214 163 24 ILE HD1 H 0.809 0.002 . 215 163 24 ILE CA C 61.208 0.042 . 216 163 24 ILE CB C 38.864 0.040 . 217 163 24 ILE CG1 C 25.056 0.036 . 218 163 24 ILE CG2 C 14.119 0.026 . 219 163 24 ILE CD1 C 19.713 0.042 . 220 163 24 ILE N N 111.695 0.036 . 221 164 25 ASP HA H 4.692 0.008 . 222 164 25 ASP HB2 H 2.703 0.009 . 223 164 25 ASP HB3 H 2.593 0.009 . 224 164 25 ASP C C 175.489 0.000 . 225 164 25 ASP CA C 53.695 0.047 . 226 164 25 ASP CB C 41.464 0.046 . 227 165 26 HIS H H 6.826 0.003 . 228 165 26 HIS HA H 4.051 0.009 . 229 165 26 HIS HB2 H 2.802 0.007 . 230 165 26 HIS HB3 H 2.335 0.007 . 231 165 26 HIS HD2 H 5.152 0.003 . 232 165 26 HIS C C 172.949 0.000 . 233 165 26 HIS CA C 57.876 0.029 . 234 165 26 HIS CB C 33.004 0.132 . 235 165 26 HIS N N 119.485 0.023 . 236 166 27 VAL H H 7.538 0.004 . 237 166 27 VAL HA H 3.925 0.009 . 238 166 27 VAL HB H 1.732 0.006 . 239 166 27 VAL HG1 H 0.869 0.003 . 240 166 27 VAL HG2 H 0.869 0.003 . 241 166 27 VAL C C 175.071 0.000 . 242 166 27 VAL CA C 61.046 0.055 . 243 166 27 VAL CB C 32.523 0.250 . 244 166 27 VAL CG1 C 20.872 0.118 . 245 166 27 VAL CG2 C 20.749 0.111 . 246 166 27 VAL N N 129.111 0.026 . 247 167 28 PHE H H 8.184 0.004 . 248 167 28 PHE HA H 4.922 0.007 . 249 167 28 PHE HB2 H 3.088 0.006 . 250 167 28 PHE HB3 H 2.987 0.005 . 251 167 28 PHE HD1 H 7.667 0.003 . 252 167 28 PHE HD2 H 7.667 0.003 . 253 167 28 PHE HE1 H 7.302 0.005 . 254 167 28 PHE HE2 H 7.302 0.005 . 255 167 28 PHE HZ H 7.044 0.001 . 256 167 28 PHE C C 175.634 0.000 . 257 167 28 PHE CA C 59.599 0.047 . 258 167 28 PHE CB C 39.134 0.032 . 259 167 28 PHE N N 124.989 0.041 . 260 168 29 SER H H 9.515 0.006 . 261 168 29 SER HA H 4.854 0.007 . 262 168 29 SER HB2 H 4.444 0.017 . 263 168 29 SER HB3 H 4.082 0.014 . 264 168 29 SER C C 174.481 0.000 . 265 168 29 SER CA C 56.229 0.034 . 266 168 29 SER CB C 67.193 0.075 . 267 168 29 SER N N 120.817 0.043 . 268 169 30 GLU H H 9.002 0.004 . 269 169 30 GLU HA H 4.013 0.007 . 270 169 30 GLU HB2 H 2.011 0.007 . 271 169 30 GLU HB3 H 2.011 0.007 . 272 169 30 GLU HG2 H 2.125 0.004 . 273 169 30 GLU HG3 H 2.125 0.004 . 274 169 30 GLU C C 177.897 0.000 . 275 169 30 GLU CA C 61.048 0.043 . 276 169 30 GLU CB C 29.550 0.214 . 277 169 30 GLU CG C 36.732 0.026 . 278 169 30 GLU N N 120.418 0.035 . 279 170 31 GLU H H 8.289 0.005 . 280 170 31 GLU HA H 4.059 0.013 . 281 170 31 GLU HB2 H 2.063 0.009 . 282 170 31 GLU HB3 H 1.957 0.011 . 283 170 31 GLU HG2 H 2.340 0.008 . 284 170 31 GLU HG3 H 2.245 0.016 . 285 170 31 GLU C C 179.116 0.000 . 286 170 31 GLU CA C 59.575 0.041 . 287 170 31 GLU CB C 29.402 0.197 . 288 170 31 GLU CG C 36.193 0.000 . 289 170 31 GLU N N 117.606 0.031 . 290 171 32 ASP H H 7.996 0.004 . 291 171 32 ASP HA H 4.355 0.008 . 292 171 32 ASP HB2 H 3.372 0.008 . 293 171 32 ASP HB3 H 2.655 0.004 . 294 171 32 ASP C C 178.297 0.000 . 295 171 32 ASP CA C 58.140 0.042 . 296 171 32 ASP CB C 41.060 0.077 . 297 171 32 ASP N N 122.589 0.052 . 298 172 33 TYR H H 8.113 0.004 . 299 172 33 TYR HA H 4.410 0.042 . 300 172 33 TYR HB2 H 3.254 0.009 . 301 172 33 TYR HB3 H 3.007 0.006 . 302 172 33 TYR HD1 H 6.753 0.001 . 303 172 33 TYR HD2 H 6.753 0.001 . 304 172 33 TYR HE1 H 6.299 0.002 . 305 172 33 TYR HE2 H 6.299 0.002 . 306 172 33 TYR C C 177.382 0.000 . 307 172 33 TYR CA C 62.413 0.080 . 308 172 33 TYR CB C 37.960 0.049 . 309 172 33 TYR N N 118.236 0.107 . 310 173 34 ARG H H 7.971 0.003 . 311 173 34 ARG HA H 4.121 0.006 . 312 173 34 ARG HB2 H 1.896 0.013 . 313 173 34 ARG HB3 H 1.833 0.019 . 314 173 34 ARG HG2 H 1.654 0.005 . 315 173 34 ARG HG3 H 1.447 0.003 . 316 173 34 ARG HD2 H 3.062 0.005 . 317 173 34 ARG HD3 H 3.062 0.005 . 318 173 34 ARG C C 176.955 0.000 . 319 173 34 ARG CA C 58.204 0.041 . 320 173 34 ARG CB C 31.181 0.018 . 321 173 34 ARG CG C 28.321 0.017 . 322 173 34 ARG CD C 43.262 0.038 . 323 173 34 ARG N N 115.394 0.025 . 324 174 35 THR H H 7.736 0.005 . 325 174 35 THR HA H 4.441 0.007 . 326 174 35 THR HB H 4.181 0.007 . 327 174 35 THR HG2 H 1.268 0.003 . 328 174 35 THR C C 175.549 0.000 . 329 174 35 THR CA C 64.007 0.058 . 330 174 35 THR CB C 70.672 0.135 . 331 174 35 THR CG2 C 21.667 0.043 . 332 174 35 THR N N 109.734 0.038 . 333 175 36 LEU H H 8.733 0.003 . 334 175 36 LEU HA H 4.664 0.007 . 335 175 36 LEU HB2 H 2.561 0.008 . 336 175 36 LEU HB3 H 1.016 0.006 . 337 175 36 LEU HG H 1.953 0.007 . 338 175 36 LEU HD1 H 0.586 0.004 . 339 175 36 LEU HD2 H 0.470 0.005 . 340 175 36 LEU C C 175.777 0.000 . 341 175 36 LEU CA C 53.216 0.038 . 342 175 36 LEU CB C 39.080 0.084 . 343 175 36 LEU CG C 25.653 0.052 . 344 175 36 LEU CD1 C 22.279 0.020 . 345 175 36 LEU CD2 C 25.671 0.032 . 346 175 36 LEU N N 124.972 0.028 . 347 176 37 THR H H 7.614 0.003 . 348 176 37 THR HA H 4.520 0.008 . 349 176 37 THR HB H 4.708 0.008 . 350 176 37 THR HG2 H 1.205 0.005 . 351 176 37 THR C C 173.777 0.000 . 352 176 37 THR CA C 62.297 0.163 . 353 176 37 THR CB C 69.407 0.039 . 354 176 37 THR CG2 C 22.378 0.031 . 355 176 37 THR N N 107.155 0.039 . 356 177 38 ASN H H 7.644 0.005 . 357 177 38 ASN HA H 4.917 0.006 . 358 177 38 ASN HB2 H 3.058 0.007 . 359 177 38 ASN HB3 H 2.949 0.004 . 360 177 38 ASN CA C 51.980 0.025 . 361 177 38 ASN CB C 41.147 0.009 . 362 177 38 ASN N N 114.327 0.034 . 363 178 39 TYR HA H 2.579 0.006 . 364 178 39 TYR HB2 H 2.418 0.005 . 365 178 39 TYR HB3 H 2.016 0.009 . 366 178 39 TYR HD1 H 6.472 0.004 . 367 178 39 TYR HD2 H 6.472 0.004 . 368 178 39 TYR HE1 H 6.656 0.003 . 369 178 39 TYR HE2 H 6.656 0.003 . 370 178 39 TYR C C 176.462 0.000 . 371 178 39 TYR CA C 60.608 0.024 . 372 178 39 TYR CB C 37.959 0.031 . 373 179 40 LYS H H 8.426 0.008 . 374 179 40 LYS HA H 3.636 0.004 . 375 179 40 LYS HB2 H 1.826 0.014 . 376 179 40 LYS HB3 H 1.793 0.008 . 377 179 40 LYS HG2 H 1.444 0.006 . 378 179 40 LYS HG3 H 1.302 0.002 . 379 179 40 LYS HD2 H 1.663 0.005 . 380 179 40 LYS HD3 H 1.663 0.005 . 381 179 40 LYS HE2 H 2.943 0.008 . 382 179 40 LYS HE3 H 2.943 0.008 . 383 179 40 LYS C C 177.997 0.000 . 384 179 40 LYS CA C 60.330 0.117 . 385 179 40 LYS CB C 31.632 0.040 . 386 179 40 LYS CG C 25.072 0.039 . 387 179 40 LYS CD C 29.147 0.105 . 388 179 40 LYS CE C 41.880 0.089 . 389 179 40 LYS N N 122.462 0.058 . 390 180 41 ALA H H 8.160 0.003 . 391 180 41 ALA HA H 4.072 0.007 . 392 180 41 ALA HB H 1.504 0.006 . 393 180 41 ALA C C 180.170 0.000 . 394 180 41 ALA CA C 54.729 0.045 . 395 180 41 ALA CB C 18.734 0.038 . 396 180 41 ALA N N 121.582 0.045 . 397 181 42 PHE H H 8.202 0.005 . 398 181 42 PHE HA H 3.970 0.005 . 399 181 42 PHE HB2 H 2.878 0.004 . 400 181 42 PHE HB3 H 2.642 0.007 . 401 181 42 PHE C C 176.301 0.000 . 402 181 42 PHE CA C 62.210 0.030 . 403 181 42 PHE CB C 40.941 0.047 . 404 181 42 PHE N N 118.022 0.020 . 405 182 43 SER H H 8.961 0.005 . 406 182 43 SER HA H 3.714 0.009 . 407 182 43 SER HB2 H 3.554 0.005 . 408 182 43 SER HB3 H 3.392 0.005 . 409 182 43 SER C C 175.308 0.000 . 410 182 43 SER CA C 62.143 0.012 . 411 182 43 SER CB C 62.405 0.127 . 412 182 43 SER N N 115.061 0.025 . 413 183 44 GLN H H 7.799 0.003 . 414 183 44 GLN HA H 3.921 0.010 . 415 183 44 GLN HB2 H 2.144 0.006 . 416 183 44 GLN HB3 H 2.055 0.007 . 417 183 44 GLN HG2 H 2.492 0.004 . 418 183 44 GLN HG3 H 2.364 0.003 . 419 183 44 GLN HE21 H 7.471 0.004 . 420 183 44 GLN HE22 H 6.860 0.002 . 421 183 44 GLN C C 176.429 0.000 . 422 183 44 GLN CA C 58.546 0.031 . 423 183 44 GLN CB C 28.423 0.181 . 424 183 44 GLN CG C 34.273 0.013 . 425 183 44 GLN N N 119.440 0.050 . 426 183 44 GLN NE2 N 111.284 0.103 . 427 184 45 PHE H H 7.244 0.004 . 428 184 45 PHE HA H 4.259 0.007 . 429 184 45 PHE HB2 H 3.082 0.009 . 430 184 45 PHE HB3 H 2.873 0.006 . 431 184 45 PHE HD1 H 6.925 0.003 . 432 184 45 PHE HD2 H 6.925 0.003 . 433 184 45 PHE HE1 H 6.700 0.005 . 434 184 45 PHE HE2 H 6.700 0.005 . 435 184 45 PHE HZ H 6.670 0.001 . 436 184 45 PHE C C 175.685 0.000 . 437 184 45 PHE CA C 60.202 0.084 . 438 184 45 PHE CB C 40.715 0.104 . 439 184 45 PHE N N 117.107 0.021 . 440 185 46 VAL H H 8.312 0.005 . 441 185 46 VAL HA H 3.434 0.006 . 442 185 46 VAL HB H 1.334 0.004 . 443 185 46 VAL HG1 H 0.790 0.002 . 444 185 46 VAL HG2 H 0.415 0.001 . 445 185 46 VAL C C 176.788 0.000 . 446 185 46 VAL CA C 65.137 0.021 . 447 185 46 VAL CB C 32.827 0.046 . 448 185 46 VAL CG1 C 22.489 0.030 . 449 185 46 VAL CG2 C 24.001 0.037 . 450 185 46 VAL N N 114.723 0.036 . 451 186 47 ARG H H 8.814 0.006 . 452 186 47 ARG HA H 4.058 0.004 . 453 186 47 ARG HB2 H 1.793 0.006 . 454 186 47 ARG HB3 H 1.648 0.002 . 455 186 47 ARG HG2 H 2.015 0.006 . 456 186 47 ARG HG3 H 1.935 0.004 . 457 186 47 ARG HD2 H 3.108 0.004 . 458 186 47 ARG HD3 H 3.108 0.004 . 459 186 47 ARG CA C 62.382 0.046 . 460 186 47 ARG CB C 26.927 0.208 . 461 186 47 ARG CG C 27.858 0.008 . 462 186 47 ARG CD C 43.554 0.013 . 463 186 47 ARG N N 122.429 0.047 . 464 187 48 PRO HA H 4.308 0.006 . 465 187 48 PRO HB2 H 2.221 0.006 . 466 187 48 PRO HB3 H 1.685 0.005 . 467 187 48 PRO HG2 H 1.878 0.004 . 468 187 48 PRO HG3 H 1.878 0.004 . 469 187 48 PRO HD2 H 3.429 0.002 . 470 187 48 PRO HD3 H 3.429 0.002 . 471 187 48 PRO C C 179.267 0.000 . 472 187 48 PRO CA C 65.597 0.128 . 473 187 48 PRO CB C 30.959 0.029 . 474 187 48 PRO CG C 28.339 0.022 . 475 187 48 PRO CD C 50.523 0.026 . 476 188 49 LEU H H 6.871 0.003 . 477 188 49 LEU HA H 4.088 0.006 . 478 188 49 LEU HB2 H 2.008 0.004 . 479 188 49 LEU HB3 H 1.417 0.004 . 480 188 49 LEU HG H 1.589 0.004 . 481 188 49 LEU HD1 H 0.617 0.004 . 482 188 49 LEU HD2 H 0.357 0.004 . 483 188 49 LEU C C 179.793 0.000 . 484 188 49 LEU CA C 57.096 0.044 . 485 188 49 LEU CB C 41.192 0.040 . 486 188 49 LEU CG C 26.005 0.082 . 487 188 49 LEU CD1 C 21.155 0.043 . 488 188 49 LEU CD2 C 25.839 0.015 . 489 188 49 LEU N N 116.188 0.039 . 490 189 50 ILE H H 7.842 0.008 . 491 189 50 ILE HA H 3.518 0.006 . 492 189 50 ILE HB H 1.891 0.004 . 493 189 50 ILE HG12 H 1.815 0.003 . 494 189 50 ILE HG13 H 0.890 0.007 . 495 189 50 ILE HG2 H 0.986 0.003 . 496 189 50 ILE HD1 H 0.910 0.003 . 497 189 50 ILE C C 178.177 0.000 . 498 189 50 ILE CA C 64.969 0.024 . 499 189 50 ILE CB C 37.962 0.051 . 500 189 50 ILE CG1 C 28.848 0.089 . 501 189 50 ILE CG2 C 17.795 0.071 . 502 189 50 ILE CD1 C 14.858 0.065 . 503 189 50 ILE N N 119.708 0.051 . 504 190 51 ALA H H 8.447 0.005 . 505 190 51 ALA HA H 3.934 0.008 . 506 190 51 ALA HB H 1.351 0.006 . 507 190 51 ALA C C 178.663 0.000 . 508 190 51 ALA CA C 54.643 0.068 . 509 190 51 ALA CB C 18.242 0.109 . 510 190 51 ALA N N 122.597 0.034 . 511 191 52 ALA H H 7.635 0.004 . 512 191 52 ALA HA H 4.043 0.007 . 513 191 52 ALA HB H 1.455 0.006 . 514 191 52 ALA C C 179.357 0.000 . 515 191 52 ALA CA C 54.432 0.102 . 516 191 52 ALA CB C 18.263 0.080 . 517 191 52 ALA N N 117.631 0.046 . 518 192 53 LYS H H 6.739 0.004 . 519 192 53 LYS HA H 4.236 0.007 . 520 192 53 LYS HB2 H 1.775 0.010 . 521 192 53 LYS HB3 H 1.775 0.010 . 522 192 53 LYS HG2 H 1.481 0.004 . 523 192 53 LYS HG3 H 1.481 0.004 . 524 192 53 LYS HD2 H 1.703 0.015 . 525 192 53 LYS HD3 H 1.603 0.005 . 526 192 53 LYS HE2 H 2.993 0.014 . 527 192 53 LYS HE3 H 2.993 0.014 . 528 192 53 LYS C C 175.346 0.000 . 529 192 53 LYS CA C 55.756 0.102 . 530 192 53 LYS CB C 34.169 0.041 . 531 192 53 LYS CG C 24.448 0.029 . 532 192 53 LYS CD C 28.317 0.020 . 533 192 53 LYS CE C 41.954 0.095 . 534 192 53 LYS N N 113.084 0.036 . 535 193 54 ASN H H 7.546 0.006 . 536 193 54 ASN HA H 5.332 0.005 . 537 193 54 ASN HB2 H 2.736 0.011 . 538 193 54 ASN HB3 H 2.525 0.007 . 539 193 54 ASN HD21 H 8.804 0.004 . 540 193 54 ASN HD22 H 6.889 0.006 . 541 193 54 ASN CA C 50.756 0.028 . 542 193 54 ASN CB C 41.193 0.016 . 543 193 54 ASN N N 114.907 0.051 . 544 193 54 ASN ND2 N 117.041 0.093 . 545 194 55 PRO HA H 4.550 0.006 . 546 194 55 PRO HB2 H 2.400 0.006 . 547 194 55 PRO HB3 H 1.930 0.011 . 548 194 55 PRO HG2 H 2.026 0.005 . 549 194 55 PRO HG3 H 1.962 0.006 . 550 194 55 PRO HD2 H 3.663 0.003 . 551 194 55 PRO HD3 H 3.393 0.003 . 552 194 55 PRO C C 177.903 0.000 . 553 194 55 PRO CA C 65.011 0.032 . 554 194 55 PRO CB C 32.367 0.035 . 555 194 55 PRO CG C 27.454 0.051 . 556 194 55 PRO CD C 50.196 0.026 . 557 195 56 LYS H H 8.489 0.005 . 558 195 56 LYS HA H 4.408 0.006 . 559 195 56 LYS HB2 H 2.041 0.006 . 560 195 56 LYS HB3 H 1.712 0.011 . 561 195 56 LYS HG2 H 1.416 0.018 . 562 195 56 LYS HG3 H 1.350 0.011 . 563 195 56 LYS HD2 H 1.663 0.009 . 564 195 56 LYS HD3 H 1.663 0.009 . 565 195 56 LYS HE2 H 2.981 0.009 . 566 195 56 LYS HE3 H 2.981 0.009 . 567 195 56 LYS C C 176.064 0.000 . 568 195 56 LYS CA C 55.288 0.142 . 569 195 56 LYS CB C 31.770 0.085 . 570 195 56 LYS CG C 25.241 0.032 . 571 195 56 LYS CD C 29.010 0.031 . 572 195 56 LYS CE C 41.933 0.088 . 573 195 56 LYS N N 116.121 0.105 . 574 196 57 ILE H H 7.450 0.005 . 575 196 57 ILE HA H 3.956 0.007 . 576 196 57 ILE HB H 1.898 0.003 . 577 196 57 ILE HG12 H 1.494 0.007 . 578 196 57 ILE HG13 H 1.347 0.004 . 579 196 57 ILE HG2 H 1.008 0.003 . 580 196 57 ILE HD1 H 0.891 0.003 . 581 196 57 ILE C C 174.029 0.000 . 582 196 57 ILE CA C 61.033 0.054 . 583 196 57 ILE CB C 38.908 0.114 . 584 196 57 ILE CG1 C 29.486 0.037 . 585 196 57 ILE CG2 C 17.374 0.049 . 586 196 57 ILE CD1 C 13.073 0.042 . 587 196 57 ILE N N 121.112 0.022 . 588 197 58 ALA H H 7.916 0.003 . 589 197 58 ALA HA H 4.309 0.008 . 590 197 58 ALA HB H 1.382 0.007 . 591 197 58 ALA CA C 51.999 0.040 . 592 197 58 ALA CB C 19.505 0.064 . 593 197 58 ALA N N 129.567 0.052 . 594 198 59 VAL H H 8.738 0.015 . 595 198 59 VAL HA H 3.658 0.001 . 596 198 59 VAL HB H 2.080 0.001 . 597 198 59 VAL HG1 H 1.084 0.001 . 598 198 59 VAL HG2 H 0.977 0.001 . 599 198 59 VAL CA C 66.701 0.025 . 600 198 59 VAL CB C 31.660 0.023 . 601 198 59 VAL CG1 C 22.547 0.008 . 602 198 59 VAL CG2 C 20.985 0.012 . 603 198 59 VAL N N 123.180 0.028 . 604 199 60 SER HA H 4.112 0.004 . 605 199 60 SER HB2 H 3.886 0.009 . 606 199 60 SER HB3 H 3.815 0.008 . 607 199 60 SER C C 177.107 0.000 . 608 199 60 SER CA C 61.121 0.044 . 609 199 60 SER CB C 61.583 0.043 . 610 200 61 LYS H H 6.540 0.006 . 611 200 61 LYS HA H 3.890 0.008 . 612 200 61 LYS HB2 H 1.557 0.006 . 613 200 61 LYS HB3 H 1.174 0.005 . 614 200 61 LYS HG2 H 0.900 0.006 . 615 200 61 LYS HG3 H -0.203 0.004 . 616 200 61 LYS HD2 H 1.025 0.004 . 617 200 61 LYS HD3 H 0.317 0.005 . 618 200 61 LYS HE2 H 2.007 0.002 . 619 200 61 LYS HE3 H 2.007 0.002 . 620 200 61 LYS C C 177.712 0.000 . 621 200 61 LYS CA C 59.386 0.040 . 622 200 61 LYS CB C 32.615 0.044 . 623 200 61 LYS CG C 26.315 0.061 . 624 200 61 LYS CD C 29.364 0.033 . 625 200 61 LYS CE C 41.648 0.082 . 626 200 61 LYS N N 121.818 0.081 . 627 201 62 MET H H 8.279 0.005 . 628 201 62 MET HA H 4.165 0.011 . 629 201 62 MET HB2 H 2.485 0.010 . 630 201 62 MET HB3 H 2.415 0.014 . 631 201 62 MET HE H 2.012 0.010 . 632 201 62 MET C C 177.719 0.000 . 633 201 62 MET CA C 58.928 0.063 . 634 201 62 MET CB C 32.210 0.108 . 635 201 62 MET CE C 18.444 0.000 . 636 201 62 MET N N 119.464 0.048 . 637 202 63 MET H H 8.550 0.005 . 638 202 63 MET HA H 4.366 0.005 . 639 202 63 MET HB2 H 2.247 0.013 . 640 202 63 MET HB3 H 2.188 0.010 . 641 202 63 MET HG2 H 2.834 0.007 . 642 202 63 MET HG3 H 2.778 0.010 . 643 202 63 MET C C 179.581 0.000 . 644 202 63 MET CA C 58.171 0.066 . 645 202 63 MET CB C 31.192 0.047 . 646 202 63 MET CG C 32.070 0.030 . 647 202 63 MET CE C 15.947 0.000 . 648 202 63 MET N N 115.498 0.043 . 649 203 64 MET H H 7.784 0.004 . 650 203 64 MET HA H 4.421 0.006 . 651 203 64 MET HB2 H 2.681 0.005 . 652 203 64 MET HB3 H 2.431 0.004 . 653 203 64 MET HG2 H 3.011 0.002 . 654 203 64 MET HG3 H 2.811 0.004 . 655 203 64 MET C C 179.161 0.000 . 656 203 64 MET CA C 59.300 0.068 . 657 203 64 MET CB C 33.554 0.050 . 658 203 64 MET CG C 32.760 0.022 . 659 203 64 MET N N 119.983 0.057 . 660 204 65 VAL H H 8.684 0.005 . 661 204 65 VAL HA H 3.843 0.005 . 662 204 65 VAL HB H 2.444 0.002 . 663 204 65 VAL HG1 H 1.346 0.001 . 664 204 65 VAL HG2 H 1.164 0.002 . 665 204 65 VAL C C 177.253 0.000 . 666 204 65 VAL CA C 67.103 0.033 . 667 204 65 VAL CB C 31.703 0.091 . 668 204 65 VAL CG1 C 24.132 0.013 . 669 204 65 VAL CG2 C 22.264 0.050 . 670 204 65 VAL N N 120.692 0.037 . 671 205 66 LEU H H 8.967 0.006 . 672 205 66 LEU HA H 4.156 0.011 . 673 205 66 LEU HB2 H 2.171 0.005 . 674 205 66 LEU HB3 H 1.863 0.004 . 675 205 66 LEU HG H 1.925 0.007 . 676 205 66 LEU HD1 H 0.971 0.001 . 677 205 66 LEU HD2 H 0.885 0.004 . 678 205 66 LEU C C 178.909 0.000 . 679 205 66 LEU CA C 59.017 0.102 . 680 205 66 LEU CB C 42.598 0.034 . 681 205 66 LEU CG C 27.213 0.043 . 682 205 66 LEU CD1 C 26.020 0.040 . 683 205 66 LEU CD2 C 24.887 0.081 . 684 205 66 LEU N N 122.146 0.027 . 685 206 67 GLY H H 8.333 0.004 . 686 206 67 GLY HA2 H 4.028 0.017 . 687 206 67 GLY HA3 H 4.164 0.019 . 688 206 67 GLY C C 176.294 0.000 . 689 206 67 GLY CA C 47.837 0.065 . 690 206 67 GLY N N 105.800 0.055 . 691 207 68 ALA H H 7.951 0.004 . 692 207 68 ALA HA H 4.342 0.011 . 693 207 68 ALA HB H 1.537 0.005 . 694 207 68 ALA C C 179.043 0.000 . 695 207 68 ALA CA C 55.349 0.044 . 696 207 68 ALA CB C 18.357 0.031 . 697 207 68 ALA N N 125.439 0.024 . 698 208 69 LYS H H 9.115 0.004 . 699 208 69 LYS HA H 4.574 0.005 . 700 208 69 LYS HB2 H 2.534 0.008 . 701 208 69 LYS HB3 H 2.313 0.004 . 702 208 69 LYS HG2 H 1.982 0.003 . 703 208 69 LYS HG3 H 1.982 0.003 . 704 208 69 LYS HD2 H 2.104 0.004 . 705 208 69 LYS HD3 H 1.761 0.004 . 706 208 69 LYS HE2 H 3.024 0.006 . 707 208 69 LYS HE3 H 2.658 0.004 . 708 208 69 LYS C C 178.699 0.000 . 709 208 69 LYS CA C 60.054 0.114 . 710 208 69 LYS CB C 32.706 0.017 . 711 208 69 LYS CG C 26.771 0.112 . 712 208 69 LYS CD C 30.419 0.037 . 713 208 69 LYS CE C 41.374 0.094 . 714 208 69 LYS N N 116.732 0.031 . 715 209 70 TRP H H 8.998 0.006 . 716 209 70 TRP HA H 3.888 0.007 . 717 209 70 TRP HB2 H 3.454 0.005 . 718 209 70 TRP HB3 H 3.333 0.007 . 719 209 70 TRP HD1 H 7.209 0.005 . 720 209 70 TRP HE1 H 10.121 0.007 . 721 209 70 TRP HE3 H 6.127 0.001 . 722 209 70 TRP HZ2 H 7.515 0.001 . 723 209 70 TRP HZ3 H 6.844 0.002 . 724 209 70 TRP HH2 H 6.816 0.001 . 725 209 70 TRP C C 177.723 0.000 . 726 209 70 TRP CA C 58.934 0.072 . 727 209 70 TRP CB C 30.412 0.050 . 728 209 70 TRP N N 121.738 0.085 . 729 209 70 TRP NE1 N 128.284 0.010 . 730 210 71 ARG H H 7.943 0.004 . 731 210 71 ARG HA H 3.666 0.009 . 732 210 71 ARG HB2 H 2.113 0.007 . 733 210 71 ARG HB3 H 1.981 0.010 . 734 210 71 ARG HG2 H 1.763 0.002 . 735 210 71 ARG HG3 H 1.493 0.003 . 736 210 71 ARG HD2 H 3.271 0.003 . 737 210 71 ARG HD3 H 3.271 0.003 . 738 210 71 ARG C C 178.695 0.000 . 739 210 71 ARG CA C 59.994 0.053 . 740 210 71 ARG CB C 29.675 0.036 . 741 210 71 ARG CG C 27.501 0.045 . 742 210 71 ARG CD C 43.275 0.040 . 743 210 71 ARG N N 122.326 0.052 . 744 211 72 GLU H H 8.169 0.004 . 745 211 72 GLU HA H 3.851 0.007 . 746 211 72 GLU HB2 H 2.413 0.006 . 747 211 72 GLU HB3 H 2.130 0.006 . 748 211 72 GLU HG2 H 2.596 0.016 . 749 211 72 GLU HG3 H 2.520 0.005 . 750 211 72 GLU C C 177.446 0.000 . 751 211 72 GLU CA C 59.263 0.032 . 752 211 72 GLU CB C 29.347 0.174 . 753 211 72 GLU CG C 36.270 0.000 . 754 211 72 GLU N N 120.146 0.051 . 755 212 73 PHE H H 8.739 0.004 . 756 212 73 PHE HA H 4.233 0.007 . 757 212 73 PHE HB2 H 3.018 0.006 . 758 212 73 PHE HB3 H 2.587 0.006 . 759 212 73 PHE HD1 H 6.441 0.002 . 760 212 73 PHE HD2 H 6.441 0.002 . 761 212 73 PHE HE1 H 6.839 0.003 . 762 212 73 PHE HE2 H 6.839 0.003 . 763 212 73 PHE C C 177.215 0.000 . 764 212 73 PHE CA C 60.820 0.040 . 765 212 73 PHE CB C 40.891 0.035 . 766 212 73 PHE N N 121.154 0.025 . 767 213 74 SER H H 8.087 0.003 . 768 213 74 SER HA H 3.778 0.015 . 769 213 74 SER HB2 H 3.297 0.011 . 770 213 74 SER HB3 H 2.683 0.016 . 771 213 74 SER C C 176.069 0.000 . 772 213 74 SER CA C 61.022 0.068 . 773 213 74 SER CB C 62.718 0.072 . 774 213 74 SER N N 111.911 0.074 . 775 214 75 THR H H 7.553 0.005 . 776 214 75 THR HA H 3.981 0.011 . 777 214 75 THR HB H 4.169 0.008 . 778 214 75 THR HG2 H 1.167 0.004 . 779 214 75 THR C C 174.294 0.000 . 780 214 75 THR CA C 64.952 0.073 . 781 214 75 THR CB C 69.226 0.231 . 782 214 75 THR CG2 C 21.217 0.021 . 783 214 75 THR N N 115.144 0.039 . 784 215 76 ASN H H 7.434 0.006 . 785 215 76 ASN HA H 4.594 0.008 . 786 215 76 ASN HB2 H 2.773 0.013 . 787 215 76 ASN HB3 H 2.681 0.006 . 788 215 76 ASN HD21 H 7.629 0.003 . 789 215 76 ASN HD22 H 6.904 0.004 . 790 215 76 ASN C C 173.124 0.000 . 791 215 76 ASN CA C 53.070 0.042 . 792 215 76 ASN CB C 39.235 0.113 . 793 215 76 ASN N N 118.550 0.036 . 794 215 76 ASN ND2 N 112.686 0.292 . 795 216 77 ASN H H 7.066 0.004 . 796 216 77 ASN HA H 3.820 0.002 . 797 216 77 ASN HB2 H 2.686 0.005 . 798 216 77 ASN HB3 H 2.534 0.002 . 799 216 77 ASN HD21 H 7.266 0.004 . 800 216 77 ASN HD22 H 7.117 0.002 . 801 216 77 ASN CA C 50.729 0.045 . 802 216 77 ASN CB C 38.921 0.051 . 803 216 77 ASN N N 119.091 0.053 . 804 216 77 ASN ND2 N 109.813 0.280 . 805 217 78 PRO HA H 4.167 0.007 . 806 217 78 PRO HB2 H 1.834 0.006 . 807 217 78 PRO HB3 H 1.166 0.008 . 808 217 78 PRO HG2 H 1.472 0.006 . 809 217 78 PRO HG3 H 0.817 0.004 . 810 217 78 PRO HD2 H 3.126 0.006 . 811 217 78 PRO HD3 H 2.604 0.002 . 812 217 78 PRO C C 176.524 0.000 . 813 217 78 PRO CA C 63.440 0.128 . 814 217 78 PRO CB C 31.615 0.052 . 815 217 78 PRO CG C 25.527 0.044 . 816 217 78 PRO CD C 50.071 0.024 . 817 218 79 PHE H H 8.115 0.006 . 818 218 79 PHE HA H 4.589 0.006 . 819 218 79 PHE HB2 H 3.277 0.009 . 820 218 79 PHE HB3 H 2.835 0.007 . 821 218 79 PHE HD1 H 7.169 0.003 . 822 218 79 PHE HD2 H 7.169 0.003 . 823 218 79 PHE HE1 H 7.347 0.003 . 824 218 79 PHE HE2 H 7.347 0.003 . 825 218 79 PHE HZ H 7.306 0.000 . 826 218 79 PHE C C 175.426 0.000 . 827 218 79 PHE CA C 57.209 0.050 . 828 218 79 PHE CB C 38.187 0.047 . 829 218 79 PHE N N 118.873 0.063 . 830 219 80 LYS H H 7.382 0.006 . 831 219 80 LYS HA H 4.221 0.003 . 832 219 80 LYS HB2 H 1.815 0.010 . 833 219 80 LYS HB3 H 1.730 0.015 . 834 219 80 LYS HG2 H 1.383 0.004 . 835 219 80 LYS HG3 H 1.383 0.004 . 836 219 80 LYS HD2 H 1.665 0.004 . 837 219 80 LYS HD3 H 1.665 0.004 . 838 219 80 LYS HE2 H 2.981 0.002 . 839 219 80 LYS HE3 H 2.981 0.002 . 840 219 80 LYS CA C 56.797 0.056 . 841 219 80 LYS CB C 33.189 0.067 . 842 219 80 LYS CG C 24.393 0.036 . 843 219 80 LYS CD C 29.215 0.043 . 844 219 80 LYS N N 120.709 0.055 . 845 224 85 ALA HA H 4.424 0.008 . 846 224 85 ALA HB H 1.411 0.008 . 847 224 85 ALA C C 176.480 0.000 . 848 224 85 ALA CA C 52.463 0.055 . 849 224 85 ALA CB C 19.537 0.049 . 850 225 86 SER H H 7.968 0.003 . 851 225 86 SER HA H 4.267 0.005 . 852 225 86 SER HB2 H 3.851 0.001 . 853 225 86 SER HB3 H 3.851 0.001 . 854 225 86 SER CA C 59.954 0.095 . 855 225 86 SER CB C 65.019 0.127 . 856 225 86 SER N N 120.820 0.024 . stop_ save_