data_18301 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Metal binding repeat 2 of the Wilson disease protein (ATP7B) ; _BMRB_accession_number 18301 _BMRB_flat_file_name bmr18301.str _Entry_type original _Submission_date 2012-02-28 _Accession_date 2012-02-28 _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 Nokhrin Sergiy . . 2 Dolgova Nataliya V. . 3 Yu Corey . . 4 Dmitriev Oleg Y. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 339 "13C chemical shifts" 281 "15N chemical shifts" 69 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-08-08 update BMRB 'update entry citation' 2013-07-01 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Copper chaperone Atox1 interacts with the metal-binding domain of Wilson's disease protein in cisplatin detoxification.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23751120 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dolgova Nataliya V. . 2 Nokhrin Sergiy . . 3 Yu Corey H. . 4 George Graham N. . 5 Dmitriev Oleg Y. . stop_ _Journal_abbreviation 'Biochem. J.' _Journal_name_full 'The Biochemical journal' _Journal_volume 454 _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 156 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name MBD2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label MBD2 $MBD2 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_MBD2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MBD2 _Molecular_mass 8427.775 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 76 _Mol_residue_sequence ; AGHMQEAVVKLRVEGMTCQS CVSSIEGKVRKLQGVVRVKV SLSNQEAVITYQPYLIQPED LRDHVNDMGFEAAIKS ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 GLY 3 HIS 4 MET 5 GLN 6 GLU 7 ALA 8 VAL 9 VAL 10 LYS 11 LEU 12 ARG 13 VAL 14 GLU 15 GLY 16 MET 17 THR 18 CYS 19 GLN 20 SER 21 CYS 22 VAL 23 SER 24 SER 25 ILE 26 GLU 27 GLY 28 LYS 29 VAL 30 ARG 31 LYS 32 LEU 33 GLN 34 GLY 35 VAL 36 VAL 37 ARG 38 VAL 39 LYS 40 VAL 41 SER 42 LEU 43 SER 44 ASN 45 GLN 46 GLU 47 ALA 48 VAL 49 ILE 50 THR 51 TYR 52 GLN 53 PRO 54 TYR 55 LEU 56 ILE 57 GLN 58 PRO 59 GLU 60 ASP 61 LEU 62 ARG 63 ASP 64 HIS 65 VAL 66 ASN 67 ASP 68 MET 69 GLY 70 PHE 71 GLU 72 ALA 73 ALA 74 ILE 75 LYS 76 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LQB "Metal Binding Repeat 2 Of The Wilson Disease Protein (atp7b)" 100.00 76 100.00 100.00 1.29e-47 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MBD2 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 $MBD2 'recombinant technology' . Escherichia coli BL21(DE3) pTYB12 'Expressed as fusion with chitin binding domain and intein for affinity chromatography purification' 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 Tris-Cl 50 mM [U-2H] DSS 0.5 mM 'natural abundance' 'sodium azide' 0.05 mM 'natural abundance' D2O 5 % [U-2H] 'TCEP (tris(2-carboxyethyl)phosphine)' 5 mM 'natural abundance' H2O 95 % [U-2H] $MBD2 0.9 mM [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_CYANA_3.0 _Saveframe_category software _Name CYANA_3.0 _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version . loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.9.0 loop_ _Vendor _Address _Electronic_address 'F. Damberger, R. Keller' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_Felix _Saveframe_category software _Name FELIX _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'peak picking' 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_ ############################# # 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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_HN(CO)CACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 7.4 . pH pressure 1 . atm temperature 293 . 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' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CACB' '3D C(CO)NH' '3D H(CCO)NH' '3D 1H-15N TOCSY' '3D HN(CA)CO' 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 MBD2 _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 4 4 MET H H 8.363 0.030 1 2 4 4 MET HA H 4.302 0.030 1 3 4 4 MET HB2 H 2.071 0.030 2 4 4 4 MET HB3 H 1.823 0.030 2 5 4 4 MET HG2 H 2.537 0.030 2 6 4 4 MET HG3 H 2.448 0.030 2 7 4 4 MET C C 175.828 0.300 1 8 4 4 MET CA C 56.414 0.300 1 9 4 4 MET CB C 32.361 0.300 1 10 4 4 MET CG C 31.915 0.300 1 11 4 4 MET N N 121.245 0.300 1 12 5 5 GLN H H 8.266 0.030 1 13 5 5 GLN HA H 4.250 0.030 1 14 5 5 GLN C C 175.245 0.300 1 15 5 5 GLN CA C 56.500 0.300 1 16 5 5 GLN CB C 29.319 0.300 1 17 5 5 GLN CG C 33.729 0.300 1 18 5 5 GLN N N 121.670 0.300 1 19 6 6 GLU H H 8.238 0.030 1 20 6 6 GLU HA H 4.777 0.030 1 21 6 6 GLU HB2 H 1.742 0.030 2 22 6 6 GLU HB3 H 1.742 0.030 2 23 6 6 GLU HG2 H 2.200 0.030 2 24 6 6 GLU HG3 H 1.995 0.030 2 25 6 6 GLU C C 174.619 0.300 1 26 6 6 GLU CA C 55.039 0.300 1 27 6 6 GLU CB C 32.664 0.300 1 28 6 6 GLU CG C 36.450 0.300 1 29 6 6 GLU N N 120.500 0.300 1 30 7 7 ALA H H 8.838 0.030 1 31 7 7 ALA HA H 4.562 0.030 1 32 7 7 ALA HB H 0.868 0.030 1 33 7 7 ALA C C 173.633 0.300 1 34 7 7 ALA CA C 50.270 0.300 1 35 7 7 ALA CB C 22.412 0.300 1 36 7 7 ALA N N 125.790 0.300 1 37 8 8 VAL H H 8.340 0.030 1 38 8 8 VAL HA H 5.366 0.030 1 39 8 8 VAL HB H 1.800 0.030 1 40 8 8 VAL HG1 H 0.912 0.020 2 41 8 8 VAL HG2 H 0.780 0.020 2 42 8 8 VAL C C 176.717 0.300 1 43 8 8 VAL CA C 60.582 0.400 1 44 8 8 VAL CB C 34.923 0.300 1 45 8 8 VAL CG1 C 21.657 0.300 2 46 8 8 VAL CG2 C 21.308 0.300 2 47 8 8 VAL N N 117.770 0.300 1 48 9 9 VAL H H 9.560 0.030 1 49 9 9 VAL HA H 4.825 0.020 1 50 9 9 VAL HG1 H 1.059 0.030 2 51 9 9 VAL HG2 H 0.737 0.030 2 52 9 9 VAL C C 170.910 0.300 1 53 9 9 VAL CA C 59.121 0.200 1 54 9 9 VAL CB C 34.879 0.300 1 55 9 9 VAL CG1 C 23.332 0.300 2 56 9 9 VAL CG2 C 20.541 0.300 2 57 9 9 VAL N N 128.140 0.300 1 58 10 10 LYS H H 8.821 0.030 1 59 10 10 LYS HA H 5.396 0.030 1 60 10 10 LYS HB2 H 1.830 0.030 2 61 10 10 LYS HB3 H 1.490 0.030 2 62 10 10 LYS HG3 H 1.230 0.030 2 63 10 10 LYS HD2 H 1.630 0.030 2 64 10 10 LYS HD3 H 1.630 0.030 2 65 10 10 LYS C C 175.078 0.300 1 66 10 10 LYS CA C 54.395 0.300 1 67 10 10 LYS CB C 34.184 0.300 1 68 10 10 LYS CG C 25.774 0.300 1 69 10 10 LYS CD C 29.403 0.300 1 70 10 10 LYS CE C 41.614 0.300 1 71 10 10 LYS N N 126.441 0.300 1 72 11 11 LEU H H 9.277 0.030 1 73 11 11 LEU HA H 5.371 0.030 1 74 11 11 LEU HB2 H 1.530 0.030 2 75 11 11 LEU HB3 H 1.225 0.030 2 76 11 11 LEU HG H 1.510 0.030 1 77 11 11 LEU HD1 H 0.608 0.030 2 78 11 11 LEU HD2 H 0.560 0.030 2 79 11 11 LEU C C 177.801 0.300 1 80 11 11 LEU CA C 51.903 0.300 1 81 11 11 LEU CB C 43.914 0.300 1 82 11 11 LEU CD1 C 24.100 0.400 2 83 11 11 LEU CD2 C 25.999 0.400 2 84 11 11 LEU N N 119.930 0.300 1 85 12 12 ARG H H 9.300 0.030 1 86 12 12 ARG HA H 4.904 0.030 1 87 12 12 ARG HB2 H 1.697 0.030 2 88 12 12 ARG HB3 H 1.833 0.030 2 89 12 12 ARG HG2 H 1.550 0.030 2 90 12 12 ARG HG3 H 1.451 0.030 2 91 12 12 ARG HD2 H 3.220 0.040 2 92 12 12 ARG HD3 H 3.220 0.040 2 93 12 12 ARG C C 175.773 0.300 1 94 12 12 ARG CA C 55.641 0.300 1 95 12 12 ARG CB C 31.013 0.300 1 96 12 12 ARG CG C 28.007 0.300 1 97 12 12 ARG CD C 43.149 0.300 1 98 12 12 ARG N N 125.200 0.300 1 99 13 13 VAL H H 8.110 0.030 1 100 13 13 VAL HA H 4.511 0.030 1 101 13 13 VAL HB H 1.588 0.030 1 102 13 13 VAL HG1 H 0.570 0.030 2 103 13 13 VAL HG2 H 0.680 0.030 2 104 13 13 VAL C C 174.564 0.300 1 105 13 13 VAL CA C 61.785 0.300 1 106 13 13 VAL CB C 33.706 0.300 1 107 13 13 VAL CG1 C 22.006 0.300 2 108 13 13 VAL CG2 C 21.448 0.400 2 109 13 13 VAL N N 126.780 0.300 1 110 14 14 GLU H H 9.100 0.030 1 111 14 14 GLU HA H 4.665 0.030 1 112 14 14 GLU HB2 H 2.202 0.030 2 113 14 14 GLU HB3 H 2.027 0.030 2 114 14 14 GLU HG2 H 2.264 0.030 2 115 14 14 GLU HG3 H 2.264 0.030 2 116 14 14 GLU C C 176.426 0.300 1 117 14 14 GLU CA C 55.383 0.300 1 118 14 14 GLU CB C 31.621 0.300 1 119 14 14 GLU CG C 36.450 0.300 1 120 14 14 GLU N N 126.510 0.300 1 121 15 15 GLY H H 8.680 0.030 1 122 15 15 GLY HA2 H 4.760 0.030 2 123 15 15 GLY HA3 H 3.756 0.030 2 124 15 15 GLY C C 175.884 0.300 1 125 15 15 GLY CA C 44.900 0.300 1 126 15 15 GLY N N 108.020 0.300 1 127 16 16 MET H H 9.033 0.030 1 128 16 16 MET HA H 4.880 0.040 1 129 16 16 MET C C 177.342 0.300 1 130 16 16 MET CA C 56.672 0.400 1 131 16 16 MET N N 120.590 0.300 1 132 17 17 THR H H 8.591 0.030 1 133 17 17 THR C C 176.231 0.300 1 134 17 17 THR CA C 57.114 0.300 1 135 17 17 THR N N 123.321 0.300 1 136 18 18 CYS H H 8.809 0.030 1 137 18 18 CYS HA H 5.060 0.030 1 138 18 18 CYS C C 174.467 0.300 1 139 18 18 CYS CA C 57.500 0.300 1 140 18 18 CYS CB C 30.996 0.300 1 141 18 18 CYS N N 120.560 0.300 1 142 20 20 SER H H 8.297 0.030 1 143 20 20 SER HA H 4.461 0.030 1 144 20 20 SER C C 177.009 0.300 1 145 20 20 SER CA C 62.214 0.300 1 146 20 20 SER N N 123.434 0.300 1 147 21 21 CYS H H 7.861 0.030 1 148 21 21 CYS HA H 4.060 0.030 1 149 21 21 CYS HB2 H 3.290 0.030 2 150 21 21 CYS HB3 H 2.940 0.030 2 151 21 21 CYS C C 177.495 0.300 1 152 21 21 CYS CA C 63.546 0.300 1 153 21 21 CYS CB C 28.800 0.300 1 154 21 21 CYS N N 125.740 0.300 1 155 22 22 VAL H H 6.860 0.030 1 156 22 22 VAL HA H 3.210 0.030 1 157 22 22 VAL HB H 2.425 0.030 1 158 22 22 VAL HG1 H 0.879 0.030 2 159 22 22 VAL HG2 H 0.998 0.030 2 160 22 22 VAL C C 177.843 0.300 1 161 22 22 VAL CA C 66.425 0.300 1 162 22 22 VAL CB C 31.534 0.300 1 163 22 22 VAL CG1 C 21.239 0.300 2 164 22 22 VAL CG2 C 23.402 0.300 2 165 22 22 VAL N N 118.130 0.300 1 166 23 23 SER H H 8.341 0.030 1 167 23 23 SER HA H 4.220 0.030 1 168 23 23 SER HB2 H 4.080 0.040 2 169 23 23 SER HB3 H 3.985 0.040 2 170 23 23 SER C C 178.162 0.300 1 171 23 23 SER CA C 61.398 0.300 1 172 23 23 SER CB C 62.550 0.300 1 173 23 23 SER N N 112.820 0.300 1 174 24 24 SER H H 8.286 0.030 1 175 24 24 SER HA H 4.859 0.030 1 176 24 24 SER HB2 H 4.307 0.040 2 177 24 24 SER C C 176.856 0.300 1 178 24 24 SER CA C 61.570 0.400 1 179 24 24 SER CB C 62.506 0.400 1 180 24 24 SER N N 119.341 0.300 1 181 25 25 ILE H H 8.057 0.030 1 182 25 25 ILE HA H 3.592 0.040 1 183 25 25 ILE HB H 1.576 0.040 1 184 25 25 ILE HG2 H 0.608 0.040 1 185 25 25 ILE HD1 H -0.126 0.040 1 186 25 25 ILE C C 177.912 0.300 1 187 25 25 ILE CA C 66.038 0.300 1 188 25 25 ILE CB C 38.485 0.400 1 189 25 25 ILE CG1 C 29.472 0.400 1 190 25 25 ILE CG2 C 17.331 0.400 1 191 25 25 ILE CD1 C 13.982 0.400 1 192 25 25 ILE N N 122.340 0.300 1 193 26 26 GLU H H 8.504 0.030 1 194 26 26 GLU HA H 3.555 0.040 1 195 26 26 GLU HB2 H 2.079 0.040 2 196 26 26 GLU HB3 H 1.891 0.040 2 197 26 26 GLU HG2 H 2.590 0.040 2 198 26 26 GLU HG3 H 2.590 0.040 2 199 26 26 GLU C C 178.523 0.300 1 200 26 26 GLU CA C 60.625 0.400 1 201 26 26 GLU CB C 29.821 0.400 1 202 26 26 GLU CG C 38.055 0.400 1 203 26 26 GLU N N 117.081 0.300 1 204 27 27 GLY H H 8.231 0.030 1 205 27 27 GLY HA2 H 3.730 0.040 2 206 27 27 GLY HA3 H 3.892 0.040 2 207 27 27 GLY C C 175.925 0.300 1 208 27 27 GLY CA C 46.833 0.400 1 209 27 27 GLY N N 102.731 0.300 1 210 28 28 LYS H H 7.640 0.030 1 211 28 28 LYS HA H 4.110 0.040 1 212 28 28 LYS HB2 H 2.008 0.040 2 213 28 28 LYS HB3 H 1.961 0.040 2 214 28 28 LYS HG2 H 1.585 0.040 2 215 28 28 LYS HG3 H 1.455 0.040 2 216 28 28 LYS CA C 59.029 0.400 1 217 28 28 LYS CB C 32.916 0.400 1 218 28 28 LYS CG C 25.950 0.400 1 219 28 28 LYS N N 119.316 0.300 1 220 29 29 VAL H H 8.577 0.030 1 221 29 29 VAL HA H 3.450 0.040 1 222 29 29 VAL HB H 1.995 0.040 1 223 29 29 VAL HG1 H 0.834 0.040 2 224 29 29 VAL C C 177.259 0.300 1 225 29 29 VAL CA C 65.737 0.400 1 226 29 29 VAL CB C 31.317 0.400 1 227 29 29 VAL CG1 C 24.000 0.400 2 228 29 29 VAL CG2 C 23.029 0.400 2 229 29 29 VAL N N 118.845 0.300 1 230 30 30 ARG H H 8.083 0.030 1 231 30 30 ARG HA H 3.820 0.040 1 232 30 30 ARG HB2 H 1.960 0.040 2 233 30 30 ARG HB3 H 1.733 0.040 2 234 30 30 ARG C C 176.717 0.300 1 235 30 30 ARG CA C 58.648 0.400 1 236 30 30 ARG CB C 30.101 0.400 1 237 30 30 ARG CG C 28.216 0.400 1 238 30 30 ARG CD C 43.428 0.400 1 239 30 30 ARG N N 115.480 0.300 1 240 31 31 LYS H H 6.757 0.030 1 241 31 31 LYS HA H 4.191 0.040 1 242 31 31 LYS HB2 H 1.750 0.040 2 243 31 31 LYS HB3 H 2.000 0.040 2 244 31 31 LYS HG2 H 1.670 0.040 2 245 31 31 LYS HG3 H 1.460 0.040 2 246 31 31 LYS HD2 H 1.700 0.040 2 247 31 31 LYS HD3 H 1.700 0.040 2 248 31 31 LYS HE2 H 2.429 0.040 2 249 31 31 LYS HE3 H 2.429 0.040 2 250 31 31 LYS C C 176.870 0.300 1 251 31 31 LYS CA C 56.242 0.400 1 252 31 31 LYS CB C 32.924 0.400 1 253 31 31 LYS CG C 25.007 0.400 1 254 31 31 LYS CD C 29.054 0.400 1 255 31 31 LYS CE C 41.544 0.400 1 256 31 31 LYS N N 114.395 0.300 1 257 32 32 LEU H H 7.386 0.030 1 258 32 32 LEU HA H 4.095 0.040 1 259 32 32 LEU HB2 H 1.785 0.040 2 260 32 32 LEU HB3 H 2.035 0.040 2 261 32 32 LEU HG H 1.650 0.040 1 262 32 32 LEU HD1 H 0.958 0.040 2 263 32 32 LEU HD2 H 0.270 0.040 2 264 32 32 LEU C C 177.398 0.300 1 265 32 32 LEU CA C 54.653 0.400 1 266 32 32 LEU CB C 41.308 0.400 1 267 32 32 LEU CG C 25.774 0.400 1 268 32 32 LEU CD1 C 21.099 0.400 2 269 32 32 LEU CD2 C 21.518 0.400 2 270 32 32 LEU N N 121.290 0.300 1 271 33 33 GLN H H 8.650 0.030 1 272 33 33 GLN HA H 4.090 0.040 1 273 33 33 GLN HB2 H 2.028 0.040 2 274 33 33 GLN HB3 H 2.028 0.040 2 275 33 33 GLN HG2 H 2.351 0.040 2 276 33 33 GLN HG3 H 2.351 0.040 2 277 33 33 GLN C C 175.661 0.300 1 278 33 33 GLN CA C 56.895 0.400 1 279 33 33 GLN CB C 28.077 0.400 1 280 33 33 GLN CG C 34.078 0.400 1 281 33 33 GLN N N 124.330 0.300 1 282 34 34 GLY H H 8.759 0.030 1 283 34 34 GLY HA2 H 3.816 0.040 2 284 34 34 GLY HA3 H 4.289 0.040 2 285 34 34 GLY C C 173.911 0.300 1 286 34 34 GLY CA C 45.544 0.400 1 287 34 34 GLY N N 109.990 0.300 1 288 35 35 VAL H H 7.600 0.030 1 289 35 35 VAL HA H 3.850 0.040 1 290 35 35 VAL HB H 2.173 0.040 1 291 35 35 VAL HG1 H 0.810 0.040 2 292 35 35 VAL HG2 H 0.680 0.040 2 293 35 35 VAL C C 175.759 0.300 1 294 35 35 VAL CA C 63.803 0.400 1 295 35 35 VAL CB C 31.426 0.400 1 296 35 35 VAL CG1 C 24.448 0.400 2 297 35 35 VAL CG2 C 21.587 0.400 2 298 35 35 VAL N N 119.540 0.300 1 299 36 36 VAL H H 9.141 0.030 1 300 36 36 VAL HA H 3.912 0.040 1 301 36 36 VAL HB H 1.578 0.040 1 302 36 36 VAL HG1 H 0.981 0.040 2 303 36 36 VAL HG2 H 0.845 0.040 2 304 36 36 VAL C C 176.023 0.300 1 305 36 36 VAL CA C 64.200 0.400 1 306 36 36 VAL CB C 33.680 0.400 1 307 36 36 VAL CG1 C 22.006 0.400 2 308 36 36 VAL CG2 C 20.611 0.400 2 309 36 36 VAL N N 130.030 0.300 1 310 37 37 ARG H H 7.859 0.030 1 311 37 37 ARG HA H 4.641 0.040 1 312 37 37 ARG HB2 H 1.871 0.040 2 313 37 37 ARG HB3 H 1.744 0.040 2 314 37 37 ARG HG2 H 1.558 0.040 2 315 37 37 ARG HG3 H 1.558 0.040 2 316 37 37 ARG C C 173.230 0.300 1 317 37 37 ARG CA C 55.581 0.400 1 318 37 37 ARG CB C 33.937 0.400 1 319 37 37 ARG CG C 27.541 0.400 1 320 37 37 ARG CD C 43.033 0.400 1 321 37 37 ARG N N 116.750 0.300 1 322 38 38 VAL H H 8.785 0.030 1 323 38 38 VAL HA H 4.979 0.040 1 324 38 38 VAL HB H 1.890 0.040 1 325 38 38 VAL HG2 H 0.920 0.040 2 326 38 38 VAL C C 171.841 0.300 1 327 38 38 VAL CA C 59.637 0.400 1 328 38 38 VAL CB C 33.359 0.400 1 329 38 38 VAL CG1 C 22.076 0.400 2 330 38 38 VAL CG2 C 19.424 0.400 2 331 38 38 VAL N N 119.900 0.300 1 332 39 39 LYS H H 8.360 0.030 1 333 39 39 LYS HA H 4.810 0.040 1 334 39 39 LYS HB2 H 1.615 0.040 2 335 39 39 LYS HB3 H 1.767 0.040 2 336 39 39 LYS HG2 H 1.315 0.040 2 337 39 39 LYS HG3 H 1.315 0.040 2 338 39 39 LYS C C 175.634 0.300 1 339 39 39 LYS CA C 54.438 0.400 1 340 39 39 LYS CB C 35.357 0.400 1 341 39 39 LYS CG C 24.379 0.400 1 342 39 39 LYS CD C 28.635 0.400 1 343 39 39 LYS CE C 41.893 0.400 1 344 39 39 LYS N N 126.750 0.300 1 345 40 40 VAL H H 10.183 0.030 1 346 40 40 VAL HA H 4.787 0.040 1 347 40 40 VAL HB H 2.073 0.040 1 348 40 40 VAL HG1 H 1.310 0.040 2 349 40 40 VAL HG2 H 0.762 0.040 2 350 40 40 VAL C C 173.522 0.300 1 351 40 40 VAL CA C 60.968 0.400 1 352 40 40 VAL CB C 32.403 0.400 1 353 40 40 VAL CG1 C 23.820 0.400 2 354 40 40 VAL CG2 C 22.355 0.400 2 355 40 40 VAL N N 131.410 0.300 1 356 41 41 SER H H 8.868 0.030 1 357 41 41 SER HA H 4.852 0.040 1 358 41 41 SER HB2 H 3.930 0.040 2 359 41 41 SER HB3 H 3.720 0.040 2 360 41 41 SER C C 175.217 0.300 1 361 41 41 SER CA C 55.039 0.400 1 362 41 41 SER CB C 64.710 0.400 1 363 41 41 SER N N 120.470 0.300 1 364 42 42 LEU H H 8.998 0.030 1 365 42 42 LEU HA H 4.810 0.040 1 366 42 42 LEU HB2 H 1.767 0.040 2 367 42 42 LEU HB3 H 1.767 0.040 2 368 42 42 LEU C C 179.982 0.300 1 369 42 42 LEU CA C 57.875 0.400 1 370 42 42 LEU CB C 42.030 0.400 1 371 42 42 LEU N N 130.390 0.300 1 372 44 44 ASN H H 7.812 0.030 1 373 44 44 ASN HA H 4.844 0.040 1 374 44 44 ASN HB2 H 2.801 0.040 2 375 44 44 ASN HB3 H 2.503 0.040 2 376 44 44 ASN C C 173.786 0.300 1 377 44 44 ASN CA C 52.290 0.400 1 378 44 44 ASN CB C 38.180 0.400 1 379 44 44 ASN N N 116.079 0.300 1 380 45 45 GLN H H 7.679 0.030 1 381 45 45 GLN HA H 3.601 0.040 1 382 45 45 GLN HB2 H 2.307 0.040 2 383 45 45 GLN HB3 H 2.307 0.040 2 384 45 45 GLN HG2 H 2.383 0.040 2 385 45 45 GLN HG3 H 2.249 0.040 2 386 45 45 GLN C C 175.314 0.300 1 387 45 45 GLN CA C 56.930 0.400 1 388 45 45 GLN CB C 26.061 0.400 1 389 45 45 GLN CG C 34.937 0.400 1 390 45 45 GLN N N 117.658 0.300 1 391 46 46 GLU H H 7.780 0.030 1 392 46 46 GLU HA H 5.694 0.040 1 393 46 46 GLU HB2 H 1.740 0.040 2 394 46 46 GLU HB3 H 1.837 0.040 2 395 46 46 GLU HG2 H 2.040 0.040 2 396 46 46 GLU HG3 H 1.920 0.040 2 397 46 46 GLU C C 173.869 0.300 1 398 46 46 GLU CA C 54.395 0.400 1 399 46 46 GLU CB C 35.531 0.400 1 400 46 46 GLU CG C 37.418 0.400 1 401 46 46 GLU N N 116.510 0.300 1 402 47 47 ALA H H 9.170 0.030 1 403 47 47 ALA HA H 5.107 0.040 1 404 47 47 ALA HB H 1.071 0.040 1 405 47 47 ALA C C 174.758 0.300 1 406 47 47 ALA CA C 49.798 0.400 1 407 47 47 ALA CB C 22.076 0.400 1 408 47 47 ALA N N 124.870 0.300 1 409 48 48 VAL H H 8.930 0.030 1 410 48 48 VAL HA H 4.572 0.040 1 411 48 48 VAL HB H 2.034 0.040 1 412 48 48 VAL HG2 H 0.877 0.040 2 413 48 48 VAL C C 176.217 0.300 1 414 48 48 VAL CA C 62.644 0.400 1 415 48 48 VAL CB C 32.533 0.400 1 416 48 48 VAL CG1 C 21.378 0.400 2 417 48 48 VAL CG2 C 23.123 0.400 2 418 48 48 VAL N N 123.890 0.300 1 419 49 49 ILE H H 9.340 0.030 1 420 49 49 ILE HA H 4.840 0.040 1 421 49 49 ILE HB H 1.742 0.040 1 422 49 49 ILE HG12 H 1.425 0.040 2 423 49 49 ILE HG13 H 1.425 0.040 2 424 49 49 ILE HG2 H 0.931 0.040 1 425 49 49 ILE HD1 H 0.630 0.040 1 426 49 49 ILE C C 174.619 0.300 1 427 49 49 ILE CA C 60.410 0.400 1 428 49 49 ILE CB C 40.917 0.400 1 429 49 49 ILE CG1 C 27.519 0.400 1 430 49 49 ILE CG2 C 19.424 0.400 1 431 49 49 ILE CD1 C 15.028 0.400 1 432 49 49 ILE N N 129.890 0.300 1 433 50 50 THR H H 9.225 0.030 1 434 50 50 THR HA H 5.486 0.040 1 435 50 50 THR HB H 3.916 0.040 1 436 50 50 THR HG2 H 1.131 0.040 1 437 50 50 THR C C 174.286 0.300 1 438 50 50 THR CA C 61.871 0.400 1 439 50 50 THR CB C 68.762 0.400 1 440 50 50 THR CG2 C 20.820 0.400 1 441 50 50 THR N N 125.910 0.300 1 442 51 51 TYR H H 9.846 0.030 1 443 51 51 TYR HA H 5.665 0.040 1 444 51 51 TYR HB2 H 2.520 0.040 2 445 51 51 TYR HB3 H 2.740 0.040 2 446 51 51 TYR HD1 H 6.920 0.040 3 447 51 51 TYR HD2 H 6.920 0.040 3 448 51 51 TYR HE1 H 6.530 0.040 3 449 51 51 TYR HE2 H 6.530 0.040 3 450 51 51 TYR C C 171.758 0.300 1 451 51 51 TYR CA C 55.125 0.400 1 452 51 51 TYR CB C 41.544 0.400 1 453 51 51 TYR N N 127.720 0.300 1 454 52 52 GLN H H 9.072 0.030 1 455 52 52 GLN HA H 5.023 0.040 1 456 52 52 GLN HB2 H 2.204 0.040 2 457 52 52 GLN HB3 H 2.204 0.040 2 458 52 52 GLN HG2 H 2.503 0.040 2 459 52 52 GLN HG3 H 2.503 0.040 2 460 52 52 GLN C C 175.286 0.300 1 461 52 52 GLN CA C 51.989 0.400 1 462 52 52 GLN N N 120.470 0.300 1 463 53 53 PRO CA C 63.718 0.400 1 464 53 53 PRO CB C 32.403 0.400 1 465 54 54 TYR H H 8.158 0.030 1 466 54 54 TYR HA H 4.401 0.040 1 467 54 54 TYR HB2 H 3.184 0.040 2 468 54 54 TYR HB3 H 2.863 0.040 2 469 54 54 TYR HD1 H 7.110 0.040 3 470 54 54 TYR HD2 H 7.110 0.040 3 471 54 54 TYR C C 175.689 0.300 1 472 54 54 TYR CA C 58.734 0.400 1 473 54 54 TYR CB C 37.572 0.400 1 474 54 54 TYR N N 114.650 0.300 1 475 55 55 LEU H H 7.968 0.030 1 476 55 55 LEU HA H 4.412 0.040 1 477 55 55 LEU HB2 H 1.698 0.040 2 478 55 55 LEU HB3 H 1.256 0.040 2 479 55 55 LEU HG H 1.221 0.040 1 480 55 55 LEU HD2 H 0.834 0.040 2 481 55 55 LEU C C 175.786 0.300 1 482 55 55 LEU CA C 55.039 0.400 1 483 55 55 LEU CB C 45.869 0.400 1 484 55 55 LEU CG C 26.681 0.400 1 485 55 55 LEU CD1 C 25.425 0.400 2 486 55 55 LEU CD2 C 22.983 0.400 2 487 55 55 LEU N N 117.788 0.300 1 488 56 56 ILE H H 8.211 0.030 1 489 56 56 ILE HA H 4.421 0.040 1 490 56 56 ILE HB H 1.976 0.040 1 491 56 56 ILE HG12 H 1.220 0.040 2 492 56 56 ILE HG13 H 1.220 0.040 2 493 56 56 ILE HG2 H 0.760 0.040 1 494 56 56 ILE HD1 H 0.830 0.040 1 495 56 56 ILE C C 170.396 0.300 1 496 56 56 ILE CA C 61.355 0.400 1 497 56 56 ILE CB C 40.787 0.400 1 498 56 56 ILE CG1 C 31.000 0.400 1 499 56 56 ILE CG2 C 16.494 0.400 1 500 56 56 ILE CD1 C 14.958 0.400 1 501 56 56 ILE N N 121.565 0.300 1 502 57 57 GLN H H 7.953 0.030 1 503 57 57 GLN HA H 4.993 0.040 1 504 57 57 GLN HB2 H 1.860 0.040 2 505 57 57 GLN HB3 H 2.428 0.040 2 506 57 57 GLN C C 175.911 0.300 1 507 57 57 GLN CA C 52.247 0.400 1 508 57 57 GLN CB C 29.884 0.400 1 509 57 57 GLN N N 119.400 0.300 1 510 58 58 PRO HD2 H 3.920 0.040 2 511 58 58 PRO HD3 H 3.710 0.040 2 512 58 58 PRO CA C 66.080 0.400 1 513 58 58 PRO CB C 31.800 0.400 1 514 58 58 PRO CG C 28.100 0.400 1 515 58 58 PRO CD C 49.990 0.300 1 516 59 59 GLU H H 9.588 0.030 1 517 59 59 GLU HA H 3.577 0.040 1 518 59 59 GLU HB2 H 1.960 0.040 2 519 59 59 GLU HB3 H 1.900 0.040 2 520 59 59 GLU HG2 H 2.510 0.040 2 521 59 59 GLU HG3 H 2.100 0.040 2 522 59 59 GLU C C 177.634 0.300 1 523 59 59 GLU CA C 61.355 0.400 1 524 59 59 GLU CB C 28.407 0.400 1 525 59 59 GLU CG C 37.427 0.400 1 526 59 59 GLU N N 116.700 0.300 1 527 60 60 ASP H H 6.994 0.030 1 528 60 60 ASP HA H 4.271 0.040 1 529 60 60 ASP HB2 H 2.670 0.040 2 530 60 60 ASP HB3 H 2.980 0.040 2 531 60 60 ASP C C 178.898 0.300 1 532 60 60 ASP CA C 56.887 0.400 1 533 60 60 ASP CB C 40.726 0.400 1 534 60 60 ASP N N 116.670 0.300 1 535 61 61 LEU H H 7.220 0.030 1 536 61 61 LEU HA H 3.759 0.040 1 537 61 61 LEU HB2 H 1.906 0.040 2 538 61 61 LEU HB3 H 0.925 0.040 2 539 61 61 LEU HG H 1.370 0.040 1 540 61 61 LEU HD1 H 0.158 0.040 2 541 61 61 LEU HD2 H 0.641 0.040 2 542 61 61 LEU C C 177.009 0.300 1 543 61 61 LEU CA C 58.219 0.400 1 544 61 61 LEU CB C 41.565 0.400 1 545 61 61 LEU CG C 26.742 0.400 1 546 61 61 LEU CD1 C 25.355 0.400 2 547 61 61 LEU CD2 C 24.518 0.400 2 548 61 61 LEU N N 120.023 0.300 1 549 62 62 ARG H H 8.034 0.030 1 550 62 62 ARG HA H 4.710 0.030 1 551 62 62 ARG HB2 H 2.100 0.040 2 552 62 62 ARG HB3 H 2.100 0.040 2 553 62 62 ARG HG2 H 1.890 0.040 2 554 62 62 ARG HG3 H 1.890 0.040 2 555 62 62 ARG HD2 H 3.447 0.040 2 556 62 62 ARG HD3 H 3.447 0.040 2 557 62 62 ARG C C 177.676 0.300 1 558 62 62 ARG CA C 59.422 0.300 1 559 62 62 ARG CB C 28.971 0.400 1 560 62 62 ARG CG C 25.495 0.400 1 561 62 62 ARG CD C 42.970 0.400 1 562 62 62 ARG N N 117.758 0.300 1 563 63 63 ASP H H 8.187 0.030 1 564 63 63 ASP HA H 4.388 0.040 1 565 63 63 ASP HB2 H 2.734 0.040 2 566 63 63 ASP HB3 H 2.734 0.040 2 567 63 63 ASP C C 178.190 0.300 1 568 63 63 ASP CA C 57.660 0.400 1 569 63 63 ASP CB C 39.093 0.400 1 570 63 63 ASP N N 119.490 0.300 1 571 64 64 HIS H H 8.250 0.030 1 572 64 64 HIS HA H 4.359 0.040 1 573 64 64 HIS HB2 H 2.810 0.040 2 574 64 64 HIS HB3 H 3.180 0.040 2 575 64 64 HIS C C 178.607 0.300 1 576 64 64 HIS CA C 60.324 0.400 1 577 64 64 HIS CB C 30.400 0.400 1 578 64 64 HIS N N 119.289 0.300 1 579 65 65 VAL H H 7.638 0.030 1 580 65 65 VAL HA H 3.722 0.040 1 581 65 65 VAL HB H 2.011 0.040 1 582 65 65 VAL HG2 H 0.760 0.040 2 583 65 65 VAL CA C 66.940 0.400 1 584 65 65 VAL CB C 31.813 0.400 1 585 65 65 VAL CG1 C 24.658 0.400 2 586 65 65 VAL CG2 C 22.355 0.400 2 587 65 65 VAL N N 119.590 0.300 1 588 66 66 ASN H H 8.461 0.030 1 589 66 66 ASN HA H 5.150 0.040 1 590 66 66 ASN HB2 H 3.020 0.040 2 591 66 66 ASN HB3 H 2.910 0.040 2 592 66 66 ASN C C 180.454 0.300 1 593 66 66 ASN CA C 55.683 0.400 1 594 66 66 ASN CB C 37.986 0.400 1 595 66 66 ASN N N 121.680 0.300 1 596 67 67 ASP H H 8.385 0.030 1 597 67 67 ASP HA H 4.440 0.040 1 598 67 67 ASP HB2 H 2.810 0.040 2 599 67 67 ASP HB3 H 2.685 0.040 2 600 67 67 ASP C C 177.537 0.300 1 601 67 67 ASP CA C 56.628 0.400 1 602 67 67 ASP CB C 40.483 0.400 1 603 67 67 ASP N N 120.750 0.300 1 604 68 68 MET H H 7.680 0.030 1 605 68 68 MET HA H 4.287 0.040 1 606 68 68 MET HB2 H 2.354 0.040 2 607 68 68 MET HB3 H 2.354 0.040 2 608 68 68 MET HG2 H 2.620 0.040 2 609 68 68 MET HG3 H 3.020 0.040 2 610 68 68 MET C C 176.064 0.300 1 611 68 68 MET CA C 56.672 0.400 1 612 68 68 MET CB C 33.933 0.400 1 613 68 68 MET CG C 32.543 0.400 1 614 68 68 MET N N 116.510 0.300 1 615 69 69 GLY H H 8.049 0.030 1 616 69 69 GLY HA2 H 4.036 0.040 2 617 69 69 GLY HA3 H 3.582 0.040 2 618 69 69 GLY C C 173.640 0.300 1 619 69 69 GLY CA C 44.756 0.400 1 620 69 69 GLY N N 105.290 0.300 1 621 70 70 PHE H H 6.689 0.030 1 622 70 70 PHE HA H 4.736 0.040 1 623 70 70 PHE HB2 H 3.281 0.040 2 624 70 70 PHE HB3 H 2.342 0.040 2 625 70 70 PHE HD1 H 7.060 0.040 3 626 70 70 PHE HD2 H 7.060 0.040 3 627 70 70 PHE C C 172.772 0.300 1 628 70 70 PHE CA C 56.859 0.400 1 629 70 70 PHE CB C 40.570 0.400 1 630 70 70 PHE N N 118.850 0.300 1 631 71 71 GLU H H 8.030 0.030 1 632 71 71 GLU HA H 4.710 0.040 1 633 71 71 GLU HB2 H 1.914 0.040 2 634 71 71 GLU HB3 H 1.867 0.040 2 635 71 71 GLU HG2 H 2.187 0.040 2 636 71 71 GLU HG3 H 2.138 0.040 2 637 71 71 GLU C C 175.370 0.300 1 638 71 71 GLU CA C 55.899 0.400 1 639 71 71 GLU CB C 30.709 0.400 1 640 71 71 GLU CG C 35.670 0.400 1 641 71 71 GLU N N 118.550 0.300 1 642 72 72 ALA H H 9.580 0.030 1 643 72 72 ALA HA H 5.916 0.040 1 644 72 72 ALA HB H 1.284 0.040 1 645 72 72 ALA C C 176.245 0.300 1 646 72 72 ALA CA C 49.669 0.400 1 647 72 72 ALA CB C 22.495 0.400 1 648 72 72 ALA N N 129.745 0.300 1 649 73 73 ALA H H 8.633 0.030 1 650 73 73 ALA HA H 4.521 0.040 1 651 73 73 ALA HB H 1.324 0.040 1 652 73 73 ALA C C 176.162 0.300 1 653 73 73 ALA CA C 50.743 0.400 1 654 73 73 ALA CB C 22.629 0.400 1 655 73 73 ALA N N 121.581 0.300 1 656 74 74 ILE H H 8.962 0.030 1 657 74 74 ILE HA H 3.994 0.040 1 658 74 74 ILE HB H 1.680 0.040 1 659 74 74 ILE HG12 H 1.480 0.040 2 660 74 74 ILE HG13 H 1.480 0.040 2 661 74 74 ILE HG2 H 0.922 0.040 1 662 74 74 ILE C C 176.217 0.300 1 663 74 74 ILE CA C 63.331 0.400 1 664 74 74 ILE CB C 38.311 0.400 1 665 74 74 ILE CG1 C 29.821 0.400 1 666 74 74 ILE CG2 C 17.540 0.300 1 667 74 74 ILE CD1 C 13.772 0.400 1 668 74 74 ILE N N 123.360 0.300 1 669 75 75 LYS H H 8.842 0.030 1 670 75 75 LYS HA H 4.553 0.040 1 671 75 75 LYS HB2 H 1.737 0.040 2 672 75 75 LYS HB3 H 1.850 0.040 2 673 75 75 LYS HD2 H 1.487 0.040 2 674 75 75 LYS HD3 H 1.392 0.040 2 675 75 75 LYS C C 175.217 0.300 1 676 75 75 LYS CA C 56.457 0.400 1 677 75 75 LYS CB C 33.272 0.400 1 678 75 75 LYS CG C 25.425 0.400 1 679 75 75 LYS CD C 29.751 0.400 1 680 75 75 LYS CE C 41.684 0.400 1 681 75 75 LYS N N 130.310 0.300 1 682 76 76 SER H H 8.150 0.030 1 683 76 76 SER HA H 4.317 0.040 1 684 76 76 SER HB2 H 3.860 0.040 2 685 76 76 SER HB3 H 3.860 0.040 2 686 76 76 SER C C 178.759 0.300 1 687 76 76 SER CA C 60.066 0.400 1 688 76 76 SER CB C 64.591 0.400 1 689 76 76 SER N N 123.550 0.300 1 stop_ save_