data_15732 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N backbone resonance assignments of the bright domain of the histone demethylase JARID 1B ; _BMRB_accession_number 15732 _BMRB_flat_file_name bmr15732.str _Entry_type original _Submission_date 2008-04-16 _Accession_date 2008-04-16 _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 Yao Wenming . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 452 "13C chemical shifts" 270 "15N chemical shifts" 92 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-08-21 update BMRB 'added PubMed ID' 2009-06-05 update BMRB 'completed entry citation' 2009-03-03 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 13C, 15N backbone and side-chain resonance assignments of the Bright/ARID domain from the human histone demethylase JARID1B' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19636953 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yao Wenming . . 2 Peng Yu . . 3 Chen Qun . . 4 Lin Donghai . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR Assignments' _Journal_volume 3 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 85 _Page_last 87 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name jarid1B-bright _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label jarid1B-bright $bright_domain 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_bright_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common bright_domain _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; MRLNELEAQTRVKLNFLDQI AKYWELQGSTLKIPHVERKI LDLFQLNKLVAEEGGFAVVC KDRKWTKIATKMGFAPGKAV GSHIRGHYERILNPYNLFLS GDSLRCLQKPNLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 LEU 4 ASN 5 GLU 6 LEU 7 GLU 8 ALA 9 GLN 10 THR 11 ARG 12 VAL 13 LYS 14 LEU 15 ASN 16 PHE 17 LEU 18 ASP 19 GLN 20 ILE 21 ALA 22 LYS 23 TYR 24 TRP 25 GLU 26 LEU 27 GLN 28 GLY 29 SER 30 THR 31 LEU 32 LYS 33 ILE 34 PRO 35 HIS 36 VAL 37 GLU 38 ARG 39 LYS 40 ILE 41 LEU 42 ASP 43 LEU 44 PHE 45 GLN 46 LEU 47 ASN 48 LYS 49 LEU 50 VAL 51 ALA 52 GLU 53 GLU 54 GLY 55 GLY 56 PHE 57 ALA 58 VAL 59 VAL 60 CYS 61 LYS 62 ASP 63 ARG 64 LYS 65 TRP 66 THR 67 LYS 68 ILE 69 ALA 70 THR 71 LYS 72 MET 73 GLY 74 PHE 75 ALA 76 PRO 77 GLY 78 LYS 79 ALA 80 VAL 81 GLY 82 SER 83 HIS 84 ILE 85 ARG 86 GLY 87 HIS 88 TYR 89 GLU 90 ARG 91 ILE 92 LEU 93 ASN 94 PRO 95 TYR 96 ASN 97 LEU 98 PHE 99 LEU 100 SER 101 GLY 102 ASP 103 SER 104 LEU 105 ARG 106 CYS 107 LEU 108 GLN 109 LYS 110 PRO 111 ASN 112 LEU 113 GLU 114 HIS 115 HIS 116 HIS 117 HIS 118 HIS 119 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 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 BMRB 11388 "ARID domain" 89.08 122 100.00 100.00 3.57e-72 PDB 2EQY "Solution Structure Of The Arid Domain Of Jarid1b Protein" 89.08 122 100.00 100.00 3.03e-72 DBJ BAC30898 "unnamed protein product [Mus musculus]" 93.28 1433 99.10 100.00 1.19e-67 DBJ BAD90482 "mKIAA4034 protein [Mus musculus]" 93.28 1554 100.00 100.00 3.95e-68 DBJ BAE37363 "unnamed protein product [Mus musculus]" 93.28 600 97.30 97.30 3.62e-65 EMBL CAB43532 "PLU-1 protein [Homo sapiens]" 93.28 1544 100.00 100.00 6.85e-68 EMBL CAB63108 "RB-binding protein [Homo sapiens]" 93.28 1681 100.00 100.00 1.03e-67 GB AAD16061 "retinoblastoma binding protein 2 homolog 1 [Homo sapiens]" 93.28 1580 100.00 100.00 7.31e-68 GB AAH48180 "Jumonji, AT rich interactive domain 1B (Rbp2 like) [Mus musculus]" 93.28 1544 100.00 100.00 4.92e-68 GB AAH57318 "Jumonji, AT rich interactive domain 1B (Rbp2 like) [Mus musculus]" 93.28 1544 100.00 100.00 4.92e-68 GB AAI56050 "Jumonji, AT rich interactive domain 1B, partial [synthetic construct]" 93.28 1544 100.00 100.00 6.85e-68 GB AAI57032 "Jumonji, AT rich interactive domain 1B [synthetic construct]" 93.28 1544 100.00 100.00 6.85e-68 REF NP_001100647 "lysine-specific demethylase 5B [Rattus norvegicus]" 93.28 1544 100.00 100.00 4.64e-68 REF NP_001300971 "lysine-specific demethylase 5B isoform 1 [Homo sapiens]" 93.28 1580 100.00 100.00 5.19e-68 REF NP_006609 "lysine-specific demethylase 5B isoform 2 [Homo sapiens]" 93.28 1544 100.00 100.00 6.85e-68 REF NP_690855 "lysine-specific demethylase 5B [Mus musculus]" 93.28 1544 100.00 100.00 4.92e-68 REF XP_002717636 "PREDICTED: lysine-specific demethylase 5B isoform X1 [Oryctolagus cuniculus]" 93.28 1537 100.00 100.00 6.26e-68 SP Q80Y84 "RecName: Full=Lysine-specific demethylase 5B; AltName: Full=Histone demethylase JARID1B; AltName: Full=Jumonji/ARID domain-cont" 93.28 1544 100.00 100.00 4.92e-68 SP Q9UGL1 "RecName: Full=Lysine-specific demethylase 5B; AltName: Full=Cancer/testis antigen 31; Short=CT31; AltName: Full=Histone demethy" 93.28 1544 100.00 100.00 6.85e-68 TPG DAA21261 "TPA: RB-binding protein-like [Bos taurus]" 93.28 1489 100.00 100.00 5.74e-69 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $bright_domain 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 $bright_domain 'recombinant technology' . Escherichia coli rosette pet-22b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20mM NaH2PO4,150mM NaCl, 1mM DTT' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $bright_domain 1 mM '[U-95% 15N]' NaH2PO4 20 mM . NaCl 150 mM . DTT 1 mM . stop_ save_ ############################ # Computer software used # ############################ save_sparky _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_HBHA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _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' 0.15 . M pH 6 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 DSS P 31 'methyl protons' ppm 0.00 . indirect . . . 0.404808636 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $sparky stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCA' '3D HNCACB' '3D HCCH-TOCSY' '3D HNHA' 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 jarid1B-bright _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ARG HA H 4.410 0.010 . 2 2 2 ARG HB2 H 1.890 0.015 . 3 2 2 ARG HB3 H 1.775 0.003 . 4 2 2 ARG HD2 H 3.221 0.008 . 5 2 2 ARG HD3 H 3.233 0.0012 . 6 2 2 ARG HG2 H 1.661 0.005 . 7 2 2 ARG CA C 55.820 0.272 . 8 2 2 ARG CB C 31.107 0.016 . 9 2 2 ARG CD C 43.386 0.052 . 10 2 2 ARG CG C 27.213 0.014 . 11 3 3 LEU H H 8.540 0.003 . 12 3 3 LEU HA H 4.303 0.007 . 13 3 3 LEU HB2 H 1.652 0.012 . 14 3 3 LEU HB3 H 1.647 0.021 . 15 3 3 LEU HD1 H 0.926 0.000 . 16 3 3 LEU HD2 H 0.876 0.000 . 17 3 3 LEU HG H 1.530 0.021 . 18 3 3 LEU CA C 55.477 0.232 . 19 3 3 LEU CB C 42.361 0.021 . 20 3 3 LEU CD1 C 24.882 0.012 . 21 3 3 LEU CD2 C 23.712 0.012 . 22 3 3 LEU CG C 27.121 0.005 . 23 3 3 LEU N N 124.420 0.020 . 24 4 4 ASN H H 8.604 0.007 . 25 4 4 ASN HA H 4.632 0.009 . 26 4 4 ASN HB2 H 2.869 0.002 . 27 4 4 ASN HB3 H 2.812 0.002 . 28 4 4 ASN CA C 53.588 0.353 . 29 4 4 ASN CB C 38.338 0.003 . 30 4 4 ASN N N 118.838 0.071 . 31 5 5 GLU H H 8.310 0.011 . 32 5 5 GLU HA H 4.192 0.012 . 33 5 5 GLU HB2 H 2.068 0.003 . 34 5 5 GLU HB3 H 2.068 0.003 . 35 5 5 GLU HG2 H 2.292 0.005 . 36 5 5 GLU HG3 H 2.292 0.005 . 37 5 5 GLU CA C 58.006 0.216 . 38 5 5 GLU CB C 30.202 0.021 . 39 5 5 GLU CG C 36.527 0.031 . 40 5 5 GLU N N 121.516 0.036 . 41 6 6 LEU H H 8.130 0.011 . 42 6 6 LEU HA H 4.248 0.007 . 43 6 6 LEU HB2 H 1.725 0.004 . 44 6 6 LEU HB3 H 1.659 0.004 . 45 6 6 LEU HD1 H 0.934 0.000 . 46 6 6 LEU HD2 H 0.893 0.004 . 47 6 6 LEU HG H 1.618 0.005 . 48 6 6 LEU CA C 56.425 0.196 . 49 6 6 LEU CB C 41.968 0.005 . 50 6 6 LEU CD1 C 24.405 0.000 . 51 6 6 LEU CD2 C 23.850 0.000 . 52 6 6 LEU CG C 27.164 0.015 . 53 6 6 LEU N N 121.636 0.029 . 54 7 7 GLU H H 8.342 0.005 . 55 7 7 GLU HA H 4.127 0.010 . 56 7 7 GLU HB2 H 2.075 0.005 . 57 7 7 GLU HB3 H 2.075 0.005 . 58 7 7 GLU HG2 H 2.372 0.003 . 59 7 7 GLU HG3 H 2.323 0.003 . 60 7 7 GLU CA C 58.121 0.251 . 61 7 7 GLU CB C 29.861 0.006 . 62 7 7 GLU CG C 36.425 0.000 . 63 7 7 GLU N N 121.365 0.032 . 64 8 8 ALA H H 8.245 0.005 . 65 8 8 ALA CA C 54.755 0.035 . 66 8 8 ALA CB C 18.761 0.067 . 67 8 8 ALA N N 123.066 0.010 . 68 9 9 GLN H H 8.258 0.002 . 69 9 9 GLN HA H 4.169 0.011 . 70 9 9 GLN HB2 H 2.175 0.000 . 71 9 9 GLN HB3 H 2.175 0.000 . 72 9 9 GLN HG2 H 2.490 0.000 . 73 9 9 GLN HG3 H 2.490 0.000 . 74 9 9 GLN CA C 58.029 0.090 . 75 9 9 GLN CB C 28.826 0.004 . 76 9 9 GLN CG C 34.141 0.000 . 77 9 9 GLN N N 117.326 0.023 . 78 10 10 THR H H 8.068 0.004 . 79 10 10 THR HA H 3.947 0.009 . 80 10 10 THR HG2 H 1.257 0.000 . 81 10 10 THR CA C 65.668 0.022 . 82 10 10 THR CB C 68.752 0.031 . 83 10 10 THR N N 116.250 0.043 . 84 11 11 ARG H H 8.018 0.004 . 85 11 11 ARG HA H 4.019 0.003 . 86 11 11 ARG HB2 H 1.949 0.000 . 87 11 11 ARG HB3 H 1.949 0.000 . 88 11 11 ARG HD2 H 3.239 0.000 . 89 11 11 ARG HD3 H 3.239 0.000 . 90 11 11 ARG HG2 H 1.712 0.000 . 91 11 11 ARG HG3 H 1.712 0.000 . 92 11 11 ARG CA C 59.122 0.046 . 93 11 11 ARG CB C 30.026 0.046 . 94 11 11 ARG CG C 27.21 0.008 . 95 11 11 ARG CD C 43.240 0.017 . 96 11 11 ARG N N 121.122 0.023 . 97 12 12 VAL H H 7.663 0.004 . 98 12 12 VAL HA H 3.809 0.007 . 99 12 12 VAL HB H 2.124 0.017 . 100 12 12 VAL HG1 H 1.065 0.000 . 101 12 12 VAL HG2 H 1.065 0.000 . 102 12 12 VAL CA C 65.934 0.084 . 103 12 12 VAL CB C 31.961 0.055 . 104 12 12 VAL CG1 C 22.059 0.000 . 105 12 12 VAL CG2 C 21.555 0.000 . 106 12 12 VAL N N 118.778 0.016 . 107 13 13 LYS H H 7.538 0.012 . 108 13 13 LYS HA H 3.299 0.000 . 109 13 13 LYS HB2 H 1.689 0.000 . 110 13 13 LYS HB3 H 1.689 0.000 . 111 13 13 LYS HE2 H 2.998 0.012 . 112 13 13 LYS HE3 H 2.974 0.012 . 113 13 13 LYS HG2 H 1.376 0.000 . 114 13 13 LYS HG3 H 1.376 0.000 . 115 13 13 LYS CA C 59.619 0.048 . 116 13 13 LYS CB C 32.117 0.034 . 117 13 13 LYS CD C 29.855 0.012 . 118 13 13 LYS CE C 42.279 0.019 . 119 13 13 LYS CG C 24.998 0.020 . 120 13 13 LYS N N 122.148 0.021 . 121 14 14 LEU H H 8.190 0.004 . 122 14 14 LEU HA H 4.082 0.008 . 123 14 14 LEU HB2 H 1.811 0.005 . 124 14 14 LEU HB3 H 1.578 0.005 . 125 14 14 LEU HD1 H 0.879 0.000 . 126 14 14 LEU HD2 H 0.879 0.000 . 127 14 14 LEU CA C 57.876 0.041 . 128 14 14 LEU CB C 41.360 0.025 . 129 14 14 LEU CD1 C 25.405 0.003 . 130 14 14 LEU CD2 C 22.672 0.003 . 131 14 14 LEU CG C 26.903 0.028 . 132 14 14 LEU N N 118.958 0.033 . 133 15 15 ASN H H 8.395 0.004 . 134 15 15 ASN HA H 4.568 0.003 . 135 15 15 ASN HB2 H 2.939 0.011 . 136 15 15 ASN HB3 H 2.939 0.011 . 137 15 15 ASN CA C 56.073 0.040 . 138 15 15 ASN CB C 38.492 0.016 . 139 15 15 ASN N N 118.325 0.019 . 140 16 16 PHE H H 8.052 0.004 . 141 16 16 PHE HA H 4.413 0.001 . 142 16 16 PHE HB2 H 3.510 0.000 . 143 16 16 PHE HB3 H 3.510 0.000 . 144 16 16 PHE CA C 61.629 0.037 . 145 16 16 PHE CB C 39.392 0.041 . 146 16 16 PHE N N 121.575 0.012 . 147 17 17 LEU H H 8.321 0.003 . 148 17 17 LEU HA H 3.904 0.000 . 149 17 17 LEU HB2 H 1.999 0.000 . 150 17 17 LEU HB3 H 1.606 0.000 . 151 17 17 LEU HD1 H 1.070 0.000 . 152 17 17 LEU HD2 H 1.070 0.000 . 153 17 17 LEU HG H 2.097 0.000 . 154 17 17 LEU CA C 57.427 0.034 . 155 17 17 LEU CB C 41.318 0.000 . 156 17 17 LEU CD1 C 25.570 0.000 . 157 17 17 LEU CD2 C 22.680 0.000 . 158 17 17 LEU CG C 27.471 0.000 . 159 17 17 LEU N N 118.809 0.022 . 160 18 18 ASP H H 8.028 0.003 . 161 18 18 ASP HA H 4.450 0.003 . 162 18 18 ASP HB2 H 2.830 0.000 . 163 18 18 ASP HB3 H 2.830 0.000 . 164 18 18 ASP CA C 57.463 0.068 . 165 18 18 ASP CB C 41.409 0.003 . 166 18 18 ASP N N 119.678 0.031 . 167 19 19 GLN H H 8.108 0.005 . 168 19 19 GLN CA C 59.190 0.000 . 169 19 19 GLN CB C 28.606 0.000 . 170 19 19 GLN N N 118.959 0.020 . 171 20 20 ILE HA H 3.491 0.000 . 172 20 20 ILE CA C 65.069 0.000 . 173 20 20 ILE CB C 37.453 0.000 . 174 21 21 ALA H H 8.433 0.003 . 175 21 21 ALA HA H 4.209 0.000 . 176 21 21 ALA HB H 1.640 0.000 . 177 21 21 ALA CA C 55.829 0.021 . 178 21 21 ALA CB C 19.158 0.013 . 179 21 21 ALA N N 120.942 0.009 . 180 22 22 LYS H H 8.125 0.004 . 181 22 22 LYS HA H 4.120 0.000 . 182 22 22 LYS HB2 H 1.848 0.003 . 183 22 22 LYS HB3 H 1.848 0.003 . 184 22 22 LYS HD2 H 1.491 0.011 . 185 22 22 LYS HD3 H 1.427 0.009 . 186 22 22 LYS HE2 H 3.001 0.008 . 187 22 22 LYS HE3 H 2.949 0.008 . 188 22 22 LYS HG2 H 1.491 0.017 . 189 22 22 LYS HG3 H 1.427 0.017 . 190 22 22 LYS CA C 58.843 0.000 . 191 22 22 LYS CB C 32.051 0.002 . 192 22 22 LYS N N 119.815 0.009 . 193 23 23 TYR HA H 3.780 0.005 . 194 23 23 TYR HB2 H 2.975 0.044 . 195 23 23 TYR HB3 H 2.975 0.044 . 196 23 23 TYR CA C 61.642 0.057 . 197 23 23 TYR CB C 38.090 0.107 . 198 24 24 TRP H H 7.840 0.004 . 199 24 24 TRP HA H 4.086 0.012 . 200 24 24 TRP HB2 H 3.451 0.000 . 201 24 24 TRP HB3 H 3.451 0.000 . 202 24 24 TRP CA C 60.861 0.028 . 203 24 24 TRP CB C 28.434 0.056 . 204 24 24 TRP N N 119.271 0.045 . 205 25 25 GLU H H 8.367 0.004 . 206 25 25 GLU HA H 4.220 0.000 . 207 25 25 GLU HB2 H 2.186 0.000 . 208 25 25 GLU HB3 H 2.186 0.000 . 209 25 25 GLU HG2 H 2.426 0.000 . 210 25 25 GLU HG3 H 2.426 0.000 . 211 25 25 GLU CA C 59.473 0.038 . 212 25 25 GLU CB C 29.780 0.116 . 213 25 25 GLU N N 122.230 0.006 . 214 26 26 LEU H H 7.964 0.005 . 215 26 26 LEU HA H 4.061 0.003 . 216 26 26 LEU HB2 H 1.703 0.032 . 217 26 26 LEU HB3 H 1.491 0.032 . 218 26 26 LEU HD1 H 0.813 0.000 . 219 26 26 LEU HD2 H 0.808 0.000 . 220 26 26 LEU HG H 1.710 0.000 . 221 26 26 LEU CA C 57.376 0.057 . 222 26 26 LEU CB C 41.321 0.042 . 223 26 26 LEU CD1 C 25.004 0.000 . 224 26 26 LEU CD2 C 23.356 0.000 . 225 26 26 LEU CG C 26.774 0.000 . 226 26 26 LEU N N 121.887 0.025 . 227 27 27 GLN H H 7.289 0.005 . 228 27 27 GLN HA H 4.170 0.000 . 229 27 27 GLN HB2 H 1.933 0.000 . 230 27 27 GLN HB3 H 1.933 0.000 . 231 27 27 GLN HG2 H 2.375 0.000 . 232 27 27 GLN HG3 H 2.375 0.000 . 233 27 27 GLN CA C 54.374 0.050 . 234 27 27 GLN CB C 28.272 0.093 . 235 27 27 GLN CG C 32.298 0.000 . 236 27 27 GLN N N 114.941 0.048 . 237 28 28 GLY H H 7.913 0.003 . 238 28 28 GLY HA2 H 4.255 0.003 . 239 28 28 GLY HA3 H 3.825 0.003 . 240 28 28 GLY CA C 45.569 0.017 . 241 28 28 GLY N N 107.341 0.024 . 242 29 29 SER H H 8.071 0.009 . 243 29 29 SER HA H 4.798 0.006 . 244 29 29 SER HB2 H 3.796 0.000 . 245 29 29 SER HB3 H 3.796 0.000 . 246 29 29 SER CA C 55.933 0.060 . 247 29 29 SER CB C 64.936 0.030 . 248 29 29 SER N N 115.745 0.018 . 249 30 30 THR H H 8.255 0.004 . 250 30 30 THR HA H 4.255 0.000 . 251 30 30 THR HB H 3.894 0.000 . 252 30 30 THR HG2 H 1.157 0.000 . 253 30 30 THR CA C 61.802 0.104 . 254 30 30 THR CB C 70.261 0.012 . 255 30 30 THR N N 117.026 0.014 . 256 31 31 LEU H H 8.992 0.003 . 257 31 31 LEU HA H 3.969 0.006 . 258 31 31 LEU HB2 H 1.917 0.000 . 259 31 31 LEU HB3 H 1.254 0.000 . 260 31 31 LEU HD1 H 0.806 0.000 . 261 31 31 LEU HD2 H 0.587 0.000 . 262 31 31 LEU CA C 55.556 0.042 . 263 31 31 LEU CB C 42.662 0.015 . 264 31 31 LEU CD1 C 23.636 0.013 . 265 31 31 LEU CD2 C 23.636 0.013 . 266 31 31 LEU CG C 26.868 0.017 . 267 31 31 LEU N N 127.779 0.029 . 268 32 32 LYS H H 8.186 0.007 . 269 32 32 LYS HA H 4.489 0.001 . 270 32 32 LYS HB2 H 1.583 0.006 . 271 32 32 LYS HB3 H 1.583 0.006 . 272 32 32 LYS HD2 H 1.302 0.000 . 273 32 32 LYS HD3 H 1.302 0.000 . 274 32 32 LYS HE2 H 2.905 0.009 . 275 32 32 LYS HE3 H 2.905 0.009 . 276 32 32 LYS HG2 H 1.212 0.000 . 277 32 32 LYS HG3 H 1.212 0.000 . 278 32 32 LYS CA C 54.151 0.031 . 279 32 32 LYS CB C 32.536 0.272 . 280 32 32 LYS CD C 28.924 0.000 . 281 32 32 LYS CE C 42.085 0.000 . 282 32 32 LYS CG C 24.506 0.000 . 283 32 32 LYS N N 129.756 0.031 . 284 33 33 ILE H H 8.660 0.004 . 285 33 33 ILE HB H 1.819 0.004 . 286 33 33 ILE HD1 H 0.926 0.000 . 287 33 33 ILE HG12 H 1.085 0.000 . 288 33 33 ILE HG2 H 0.937 0.000 . 289 33 33 ILE CA C 59.494 0.021 . 290 33 33 ILE CB C 37.270 0.198 . 291 33 33 ILE N N 127.011 0.012 . 292 34 34 PRO HA H 4.425 0.001 . 293 34 34 PRO HB2 H 1.733 0.000 . 294 34 34 PRO HB3 H 1.200 0.000 . 295 34 34 PRO HD2 H 3.915 0.000 . 296 34 34 PRO HD3 H 3.355 0.000 . 297 34 34 PRO CA C 62.544 0.073 . 298 34 34 PRO CB C 32.466 0.014 . 299 34 34 PRO CD C 50.429 0.000 . 300 34 34 PRO CG C 26.652 0.000 . 301 35 35 HIS H H 8.212 0.005 . 302 35 35 HIS HA H 5.162 0.015 . 303 35 35 HIS HB2 H 2.839 0.065 . 304 35 35 HIS HB3 H 2.720 0.092 . 305 35 35 HIS CA C 54.889 0.164 . 306 35 35 HIS CB C 32.573 0.013 . 307 35 35 HIS N N 116.315 0.036 . 308 36 36 VAL H H 9.177 0.005 . 309 36 36 VAL HA H 4.067 0.014 . 310 36 36 VAL HB H 1.784 0.001 . 311 36 36 VAL HG1 H 0.772 0.006 . 312 36 36 VAL HG2 H 0.479 0.004 . 313 36 36 VAL CA C 61.499 0.221 . 314 36 36 VAL CB C 34.400 0.046 . 315 36 36 VAL CG1 C 21.034 0.071 . 316 36 36 VAL CG2 C 22.012 0.071 . 317 36 36 VAL N N 123.252 0.029 . 318 37 37 GLU H H 9.286 0.004 . 319 37 37 GLU HA H 3.798 0.006 . 320 37 37 GLU HB2 H 2.222 0.016 . 321 37 37 GLU HB3 H 2.222 0.016 . 322 37 37 GLU HG2 H 2.372 0.008 . 323 37 37 GLU HG3 H 2.372 0.008 . 324 37 37 GLU CA C 57.410 0.233 . 325 37 37 GLU CB C 27.769 0.249 . 326 37 37 GLU CG C 36.916 0.000 . 327 37 37 GLU N N 125.448 0.028 . 328 38 38 ARG H H 8.673 0.003 . 329 38 38 ARG HA H 3.790 0.015 . 330 38 38 ARG HB2 H 2.068 0.027 . 331 38 38 ARG HB3 H 2.022 0.018 . 332 38 38 ARG HD2 H 3.210 0.004 . 333 38 38 ARG HD3 H 3.210 0.004 . 334 38 38 ARG HG2 H 1.579 0.000 . 335 38 38 ARG HG3 H 1.579 0.000 . 336 38 38 ARG CA C 57.542 0.102 . 337 38 38 ARG CB C 28.005 0.026 . 338 38 38 ARG CD C 43.359 0.020 . 339 38 38 ARG N N 109.122 0.014 . 340 39 39 LYS H H 8.187 0.003 . 341 39 39 LYS HA H 4.680 0.005 . 342 39 39 LYS HB2 H 1.920 0.002 . 343 39 39 LYS HB3 H 1.920 0.002 . 344 39 39 LYS HE2 H 2.815 0.009 . 345 39 39 LYS HE3 H 2.815 0.009 . 346 39 39 LYS HG2 H 1.496 0.010 . 347 39 39 LYS HG3 H 1.496 0.010 . 348 39 39 LYS CA C 54.601 0.282 . 349 39 39 LYS CB C 34.803 0.274 . 350 39 39 LYS CD C 29.163 0.000 . 351 39 39 LYS CE C 42.116 0.000 . 352 39 39 LYS CG C 24.498 0.000 . 353 39 39 LYS N N 121.367 0.005 . 354 40 40 ILE H H 8.407 0.005 . 355 40 40 ILE HA H 3.536 0.007 . 356 40 40 ILE HB H 1.566 0.008 . 357 40 40 ILE HD1 H 0.694 0.000 . 358 40 40 ILE HG12 H 1.286 0.000 . 359 40 40 ILE HG13 H 0.834 0.000 . 360 40 40 ILE HG2 H 0.737 0.000 . 361 40 40 ILE CA C 61.600 0.189 . 362 40 40 ILE CB C 38.371 0.069 . 363 40 40 ILE CD1 C 12.883 0.021 . 364 40 40 ILE CG1 C 28.846 0.000 . 365 40 40 ILE CG2 C 17.387 0.000 . 366 40 40 ILE N N 123.850 0.017 . 367 41 41 LEU H H 8.269 0.005 . 368 41 41 LEU HA H 4.340 0.006 . 369 41 41 LEU HB2 H 1.702 0.022 . 370 41 41 LEU HB3 H 1.702 0.022 . 371 41 41 LEU HD1 H 1.004 0.066 . 372 41 41 LEU HD2 H 0.876 0.000 . 373 41 41 LEU HG H 1.642 0.000 . 374 41 41 LEU CA C 54.597 0.018 . 375 41 41 LEU CB C 42.967 0.283 . 376 41 41 LEU CD1 C 24.034 0.000 . 377 41 41 LEU CD2 C 24.034 0.000 . 378 41 41 LEU CG C 26.743 0.000 . 379 41 41 LEU N N 130.061 0.034 . 380 42 42 ASP H H 9.038 0.005 . 381 42 42 ASP HA H 4.681 0.022 . 382 42 42 ASP HB2 H 2.815 0.000 . 383 42 42 ASP HB3 H 2.753 0.000 . 384 42 42 ASP CA C 52.679 0.247 . 385 42 42 ASP CB C 40.332 0.060 . 386 42 42 ASP N N 127.447 0.032 . 387 43 43 LEU H H 8.249 0.004 . 388 43 43 LEU HA H 4.060 0.009 . 389 43 43 LEU HB2 H 1.702 0.000 . 390 43 43 LEU HB3 H 1.702 0.000 . 391 43 43 LEU HD1 H 0.885 0.000 . 392 43 43 LEU HD2 H 0.830 0.000 . 393 43 43 LEU HG H 1.600 0.000 . 394 43 43 LEU CA C 57.333 0.230 . 395 43 43 LEU CB C 43.212 0.075 . 396 43 43 LEU CD1 C 22.394 0.000 . 397 43 43 LEU CD2 C 22.394 0.000 . 398 43 43 LEU CG C 26.902 0.000 . 399 43 43 LEU N N 125.803 0.018 . 400 44 44 PHE H H 8.618 0.003 . 401 44 44 PHE HA H 3.605 0.017 . 402 44 44 PHE HB2 H 3.258 0.012 . 403 44 44 PHE HB3 H 3.076 0.012 . 404 44 44 PHE CA C 61.225 0.008 . 405 44 44 PHE CB C 39.342 0.042 . 406 44 44 PHE N N 119.138 0.037 . 407 45 45 GLN H H 8.143 0.003 . 408 45 45 GLN HA H 3.790 0.004 . 409 45 45 GLN HB2 H 2.059 0.017 . 410 45 45 GLN HB3 H 2.059 0.017 . 411 45 45 GLN HG2 H 2.408 0.009 . 412 45 45 GLN HG3 H 2.408 0.009 . 413 45 45 GLN CA C 58.099 0.038 . 414 45 45 GLN CB C 28.807 0.055 . 415 45 45 GLN CG C 33.430 0.000 . 416 45 45 GLN N N 121.173 0.021 . 417 46 46 LEU H H 8.533 0.004 . 418 46 46 LEU HA H 4.181 0.013 . 419 46 46 LEU HB2 H 2.182 0.006 . 420 46 46 LEU HB3 H 2.182 0.006 . 421 46 46 LEU HD1 H 1.263 0.000 . 422 46 46 LEU CA C 57.911 0.142 . 423 46 46 LEU CB C 42.270 0.035 . 424 46 46 LEU CD1 C 24.151 0.000 . 425 46 46 LEU CD2 C 24.151 0.000 . 426 46 46 LEU CG C 27.176 0.000 . 427 46 46 LEU N N 118.827 0.022 . 428 47 47 ASN H H 8.078 0.010 . 429 47 47 ASN HA H 4.615 0.012 . 430 47 47 ASN HB2 H 2.865 0.011 . 431 47 47 ASN HB3 H 2.702 0.005 . 432 47 47 ASN CA C 56.936 0.246 . 433 47 47 ASN CB C 39.758 0.037 . 434 47 47 ASN N N 116.329 0.041 . 435 48 48 LYS H H 7.711 0.005 . 436 48 48 LYS HA H 3.865 0.005 . 437 48 48 LYS HB2 H 1.649 0.000 . 438 48 48 LYS HB3 H 1.432 0.000 . 439 48 48 LYS HD2 H 1.428 0.000 . 440 48 48 LYS HD3 H 1.428 0.000 . 441 48 48 LYS HE2 H 2.824 0.000 . 442 48 48 LYS HE3 H 2.824 0.000 . 443 48 48 LYS HG2 H 1.169 0.000 . 444 48 48 LYS HG3 H 1.169 0.000 . 445 48 48 LYS CA C 59.004 0.080 . 446 48 48 LYS CB C 32.650 0.019 . 447 48 48 LYS N N 119.390 0.013 . 448 49 49 LEU H H 8.662 0.005 . 449 49 49 LEU HA H 4.026 0.002 . 450 49 49 LEU HB2 H 1.958 0.020 . 451 49 49 LEU HB3 H 1.273 0.000 . 452 49 49 LEU HD1 H 0.911 0.000 . 453 49 49 LEU HD2 H 0.913 0.000 . 454 49 49 LEU HG H 1.952 0.000 . 455 49 49 LEU CA C 57.763 0.076 . 456 49 49 LEU CB C 42.922 0.013 . 457 49 49 LEU CD1 C 23.121 0.000 . 458 49 49 LEU CG C 27.383 0.000 . 459 49 49 LEU N N 119.863 0.018 . 460 50 50 VAL H H 8.119 0.004 . 461 50 50 VAL HA H 3.152 0.012 . 462 50 50 VAL HB H 2.059 0.005 . 463 50 50 VAL HG1 H 0.795 0.005 . 464 50 50 VAL HG2 H 0.463 0.006 . 465 50 50 VAL CA C 66.605 0.245 . 466 50 50 VAL CB C 31.356 0.009 . 467 50 50 VAL CG1 C 25.272 0.000 . 468 50 50 VAL CG2 C 25.272 0.000 . 469 50 50 VAL N N 117.869 0.022 . 470 51 51 ALA H H 7.379 0.005 . 471 51 51 ALA HA H 3.985 0.020 . 472 51 51 ALA HB H 1.484 0.000 . 473 51 51 ALA CA C 55.612 0.061 . 474 51 51 ALA CB C 18.194 0.000 . 475 51 51 ALA N N 121.745 0.044 . 476 52 52 GLU H H 8.462 0.003 . 477 52 52 GLU HA H 3.947 0.004 . 478 52 52 GLU HB2 H 2.100 0.000 . 479 52 52 GLU HB3 H 2.100 0.000 . 480 52 52 GLU HG2 H 2.464 0.000 . 481 52 52 GLU HG3 H 2.223 0.000 . 482 52 52 GLU CA C 59.066 0.048 . 483 52 52 GLU CB C 29.822 0.063 . 484 52 52 GLU CG C 36.783 0.000 . 485 52 52 GLU N N 120.455 0.033 . 486 53 53 GLU H H 7.464 0.003 . 487 53 53 GLU HA H 4.205 0.000 . 488 53 53 GLU HB2 H 2.010 0.000 . 489 53 53 GLU HB3 H 1.480 0.000 . 490 53 53 GLU HG2 H 2.303 0.000 . 491 53 53 GLU HG3 H 1.901 0.000 . 492 53 53 GLU CA C 55.493 0.038 . 493 53 53 GLU CB C 30.133 0.035 . 494 53 53 GLU CG C 35.408 0.000 . 495 53 53 GLU N N 116.021 0.031 . 496 54 54 GLY H H 7.422 0.005 . 497 54 54 GLY HA2 H 4.473 0.000 . 498 54 54 GLY HA3 H 3.643 0.000 . 499 54 54 GLY CA C 44.790 0.077 . 500 54 54 GLY N N 105.101 0.019 . 501 55 55 GLY H H 8.462 0.004 . 502 55 55 GLY HA2 H 4.579 0.000 . 503 55 55 GLY HA3 H 3.675 0.000 . 504 55 55 GLY CA C 43.653 0.056 . 505 55 55 GLY N N 110.214 0.006 . 506 56 56 PHE H H 8.793 0.004 . 507 56 56 PHE HA H 4.721 0.000 . 508 56 56 PHE HB2 H 3.619 0.000 . 509 56 56 PHE HB3 H 3.208 0.000 . 510 56 56 PHE CA C 62.256 0.086 . 511 56 56 PHE CB C 40.259 0.031 . 512 56 56 PHE N N 119.257 0.034 . 513 57 57 ALA H H 8.761 0.003 . 514 57 57 ALA HA H 3.884 0.000 . 515 57 57 ALA HB H 1.502 0.004 . 516 57 57 ALA CA C 55.713 0.059 . 517 57 57 ALA CB C 17.702 0.009 . 518 57 57 ALA N N 120.642 0.027 . 519 58 58 VAL H H 7.626 0.003 . 520 58 58 VAL HA H 3.474 0.001 . 521 58 58 VAL HB H 1.710 0.000 . 522 58 58 VAL HG1 H 0.968 0.000 . 523 58 58 VAL CA C 66.317 0.130 . 524 58 58 VAL CB C 31.721 0.059 . 525 58 58 VAL CG1 C 23.245 0.000 . 526 58 58 VAL CG2 C 21.562 0.000 . 527 58 58 VAL N N 120.629 0.018 . 528 59 59 VAL H H 8.137 0.005 . 529 59 59 VAL HA H 2.930 0.011 . 530 59 59 VAL HB H 1.284 0.002 . 531 59 59 VAL HG1 H 0.496 0.002 . 532 59 59 VAL CA C 66.532 0.166 . 533 59 59 VAL CB C 30.825 0.107 . 534 59 59 VAL CG1 C 25.462 0.000 . 535 59 59 VAL CG2 C 19.017 0.000 . 536 59 59 VAL N N 120.046 0.033 . 537 60 60 CYS H H 7.709 0.005 . 538 60 60 CYS HA H 4.247 0.000 . 539 60 60 CYS CA C 63.528 0.050 . 540 60 60 CYS CB C 27.419 0.105 . 541 60 60 CYS N N 113.502 0.016 . 542 61 61 LYS H H 8.331 0.003 . 543 61 61 LYS HA H 3.961 0.000 . 544 61 61 LYS HB2 H 1.808 0.000 . 545 61 61 LYS HB3 H 1.808 0.000 . 546 61 61 LYS HD2 H 1.654 0.000 . 547 61 61 LYS HD3 H 1.654 0.000 . 548 61 61 LYS HE2 H 2.957 0.000 . 549 61 61 LYS HE3 H 2.957 0.000 . 550 61 61 LYS HG2 H 1.654 0.000 . 551 61 61 LYS HG3 H 1.472 0.000 . 552 61 61 LYS CA C 59.660 0.054 . 553 61 61 LYS CB C 32.596 0.039 . 554 61 61 LYS CD C 29.241 0.000 . 555 61 61 LYS CE C 41.921 0.000 . 556 61 61 LYS CG C 24.198 0.000 . 557 61 61 LYS N N 123.310 0.004 . 558 62 62 ASP H H 8.541 0.004 . 559 62 62 ASP HA H 4.715 0.005 . 560 62 62 ASP HB2 H 2.755 0.000 . 561 62 62 ASP HB3 H 2.434 0.000 . 562 62 62 ASP CA C 54.218 0.051 . 563 62 62 ASP CB C 40.040 0.014 . 564 62 62 ASP N N 116.468 0.037 . 565 63 63 ARG H H 7.577 0.004 . 566 63 63 ARG HA H 4.071 0.005 . 567 63 63 ARG HB2 H 2.186 0.000 . 568 63 63 ARG HB3 H 1.916 0.000 . 569 63 63 ARG HD2 H 3.311 0.000 . 570 63 63 ARG HD3 H 3.311 0.000 . 571 63 63 ARG CA C 57.214 0.000 . 572 63 63 ARG CB C 26.775 0.000 . 573 63 63 ARG N N 117.265 0.029 . 574 64 64 LYS H H 8.499 0.006 . 575 64 64 LYS HA H 4.639 0.000 . 576 64 64 LYS HB2 H 1.922 0.000 . 577 64 64 LYS HD2 H 1.495 0.000 . 578 64 64 LYS HD3 H 1.495 0.000 . 579 64 64 LYS HE2 H 2.870 0.000 . 580 64 64 LYS HE3 H 2.870 0.000 . 581 64 64 LYS HG2 H 1.290 0.000 . 582 64 64 LYS HG3 H 1.290 0.000 . 583 64 64 LYS CA C 56.139 0.037 . 584 64 64 LYS CB C 33.747 0.082 . 585 64 64 LYS CD C 30.214 0.013 . 586 64 64 LYS CE C 42.052 0.005 . 587 64 64 LYS CG C 25.864 0.004 . 588 64 64 LYS N N 115.247 0.013 . 589 65 65 TRP H H 7.776 0.005 . 590 65 65 TRP CA C 60.923 0.016 . 591 65 65 TRP CB C 28.436 0.016 . 592 65 65 TRP N N 119.959 0.049 . 593 67 67 LYS H H 7.784 0.003 . 594 67 67 LYS CA C 59.109 0.003 . 595 67 67 LYS N N 125.347 0.012 . 596 68 68 ILE H H 8.204 0.198 . 597 68 68 ILE CA C 63.684 0.074 . 598 68 68 ILE CB C 37.212 0.002 . 599 68 68 ILE N N 119.511 0.046 . 600 69 69 ALA H H 7.885 0.003 . 601 69 69 ALA HA H 4.085 0.000 . 602 69 69 ALA HB H 1.590 0.007 . 603 69 69 ALA CA C 55.862 0.033 . 604 69 69 ALA CB C 18.851 0.023 . 605 69 69 ALA N N 124.877 0.044 . 606 70 70 THR H H 8.447 0.003 . 607 70 70 THR CA C 65.815 0.000 . 608 70 70 THR CB C 68.650 0.000 . 609 70 70 THR N N 113.224 0.014 . 610 71 71 LYS H H 8.216 0.004 . 611 71 71 LYS HA H 4.092 0.016 . 612 71 71 LYS HB2 H 1.954 0.010 . 613 71 71 LYS HB3 H 1.954 0.010 . 614 71 71 LYS HD2 H 1.692 0.000 . 615 71 71 LYS HD3 H 1.626 0.000 . 616 71 71 LYS HE2 H 2.945 0.029 . 617 71 71 LYS HE3 H 2.945 0.029 . 618 71 71 LYS HG2 H 1.486 0.000 . 619 71 71 LYS HG3 H 1.443 0.000 . 620 71 71 LYS CA C 59.110 0.245 . 621 71 71 LYS CB C 32.447 0.028 . 622 71 71 LYS CD C 29.432 0.000 . 623 71 71 LYS CE C 41.984 0.000 . 624 71 71 LYS CG C 26.006 0.000 . 625 71 71 LYS N N 125.430 0.027 . 626 72 72 MET H H 7.814 0.005 . 627 72 72 MET HA H 4.218 0.002 . 628 72 72 MET HB2 H 2.489 0.003 . 629 72 72 MET HE H 2.248 0.000 . 630 72 72 MET HG2 H 2.915 0.000 . 631 72 72 MET HG3 H 2.915 0.000 . 632 72 72 MET CA C 56.846 0.107 . 633 72 72 MET CB C 33.983 0.028 . 634 72 72 MET N N 116.133 0.017 . 635 73 73 GLY H H 7.799 0.005 . 636 73 73 GLY HA2 H 4.076 0.000 . 637 73 73 GLY HA3 H 3.699 0.000 . 638 73 73 GLY CA C 45.230 0.009 . 639 73 73 GLY N N 106.512 0.025 . 640 74 74 PHE H H 7.853 0.004 . 641 74 74 PHE HA H 4.631 0.001 . 642 74 74 PHE HB2 H 3.229 0.004 . 643 74 74 PHE HB3 H 2.626 0.000 . 644 74 74 PHE CA C 57.767 0.023 . 645 74 74 PHE CB C 39.591 0.018 . 646 74 74 PHE N N 119.780 0.018 . 647 75 75 ALA H H 9.170 0.004 . 648 75 75 ALA CA C 50.596 0.000 . 649 75 75 ALA CB C 17.851 0.000 . 650 75 75 ALA N N 126.821 0.010 . 651 76 76 PRO HA H 4.406 0.005 . 652 76 76 PRO HB2 H 1.994 0.000 . 653 76 76 PRO HB3 H 2.064 0.005 . 654 76 76 PRO HD2 H 3.797 0.000 . 655 76 76 PRO HD3 H 3.646 0.000 . 656 76 76 PRO HG2 H 1.994 0.000 . 657 76 76 PRO HG3 H 1.861 0.000 . 658 76 76 PRO CA C 62.916 0.065 . 659 76 76 PRO CB C 31.087 0.056 . 660 76 76 PRO CD C 50.237 0.000 . 661 76 76 PRO CG C 27.505 0.000 . 662 77 77 GLY H H 7.878 0.003 . 663 77 77 GLY HA2 H 4.775 0.000 . 664 77 77 GLY HA3 H 4.093 0.000 . 665 77 77 GLY CA C 45.294 0.003 . 666 77 77 GLY N N 108.344 0.037 . 667 79 79 ALA HA H 4.282 0.000 . 668 79 79 ALA HB H 1.293 0.000 . 669 79 79 ALA CA C 53.327 0.053 . 670 79 79 ALA CB C 18.898 0.045 . 671 80 80 VAL H H 7.743 0.002 . 672 80 80 VAL HA H 3.752 0.000 . 673 80 80 VAL HB H 2.094 0.000 . 674 80 80 VAL HG1 H 0.835 0.000 . 675 80 80 VAL HG2 H 0.835 0.000 . 676 80 80 VAL CA C 65.623 0.061 . 677 80 80 VAL CB C 31.465 0.024 . 678 80 80 VAL N N 118.391 0.021 . 679 81 81 GLY H H 8.431 0.004 . 680 81 81 GLY HA2 H 3.731 0.000 . 681 81 81 GLY HA3 H 3.565 0.000 . 682 81 81 GLY CA C 47.366 0.003 . 683 81 81 GLY N N 108.744 0.015 . 684 82 82 SER H H 7.762 0.004 . 685 82 82 SER HA H 3.926 0.000 . 686 82 82 SER HB2 H 3.792 0.000 . 687 82 82 SER HB3 H 3.792 0.000 . 688 82 82 SER HG H 5.005 0.000 . 689 82 82 SER CA C 61.157 0.000 . 690 82 82 SER CB C 62.103 0.000 . 691 82 82 SER N N 116.140 0.023 . 692 83 83 HIS H H 7.999 0.006 . 693 83 83 HIS HA H 4.335 0.000 . 694 83 83 HIS HB2 H 3.229 0.000 . 695 83 83 HIS HB3 H 2.968 0.000 . 696 83 83 HIS CA C 58.245 0.173 . 697 83 83 HIS CB C 30.704 0.049 . 698 83 83 HIS N N 122.909 0.004 . 699 84 84 ILE H H 8.270 0.004 . 700 84 84 ILE HA H 3.718 0.000 . 701 84 84 ILE HB H 2.115 0.000 . 702 84 84 ILE HD1 H -0.130 0.000 . 703 84 84 ILE HG12 H 1.197 0.000 . 704 84 84 ILE HG13 H 1.197 0.000 . 705 84 84 ILE CA C 65.983 0.070 . 706 84 84 ILE CB C 37.298 0.092 . 707 84 84 ILE N N 117.758 0.039 . 708 85 85 ARG H H 7.796 0.005 . 709 85 85 ARG CA C 59.050 0.039 . 710 85 85 ARG CB C 28.561 0.056 . 711 85 85 ARG N N 122.061 0.023 . 712 86 86 GLY H H 7.577 0.008 . 713 86 86 GLY HA2 H 3.755 0.000 . 714 86 86 GLY CA C 47.191 0.028 . 715 86 86 GLY N N 105.202 0.032 . 716 87 87 HIS H H 7.571 0.005 . 717 87 87 HIS HA H 4.698 0.001 . 718 87 87 HIS HB2 H 2.884 0.000 . 719 87 87 HIS HB3 H 2.666 0.000 . 720 87 87 HIS CA C 59.088 0.006 . 721 87 87 HIS CB C 31.342 0.045 . 722 87 87 HIS N N 119.411 0.007 . 723 88 88 TYR H H 8.843 0.005 . 724 88 88 TYR CA C 63.140 0.022 . 725 88 88 TYR CB C 39.626 0.032 . 726 88 88 TYR N N 120.650 0.031 . 727 89 89 GLU H H 9.240 0.001 . 728 89 89 GLU HA H 3.588 0.003 . 729 89 89 GLU HB2 H 2.340 0.000 . 730 89 89 GLU HB3 H 2.340 0.000 . 731 89 89 GLU HG2 H 2.495 0.000 . 732 89 89 GLU HG3 H 2.495 0.000 . 733 89 89 GLU CA C 60.388 0.056 . 734 89 89 GLU CB C 30.474 0.058 . 735 89 89 GLU CG C 37.753 0.000 . 736 89 89 GLU N N 120.207 0.034 . 737 90 90 ARG H H 8.017 0.005 . 738 90 90 ARG CA C 58.594 0.033 . 739 90 90 ARG CB C 32.044 0.023 . 740 90 90 ARG CD C 43.046 0.000 . 741 90 90 ARG CG C 28.417 0.000 . 742 90 90 ARG N N 114.818 0.011 . 743 91 91 ILE H H 8.103 0.007 . 744 91 91 ILE CA C 63.654 0.013 . 745 91 91 ILE CB C 40.568 0.050 . 746 91 91 ILE N N 113.699 0.019 . 747 92 92 LEU H H 7.343 0.003 . 748 92 92 LEU HA H 4.517 0.000 . 749 92 92 LEU HB2 H 1.127 0.000 . 750 92 92 LEU HB3 H 1.127 0.000 . 751 92 92 LEU HD1 H 0.883 0.000 . 752 92 92 LEU HD2 H 0.883 0.000 . 753 92 92 LEU CA C 56.101 0.021 . 754 92 92 LEU CB C 42.492 0.011 . 755 92 92 LEU N N 117.070 0.020 . 756 93 93 ASN H H 8.202 0.004 . 757 93 93 ASN N N 118.972 0.030 . 758 95 95 TYR CA C 59.805 0.007 . 759 95 95 TYR CB C 38.361 0.000 . 760 96 96 ASN H H 8.328 0.003 . 761 96 96 ASN HA H 4.181 0.002 . 762 96 96 ASN HB2 H 2.872 0.000 . 763 96 96 ASN HB3 H 2.872 0.000 . 764 96 96 ASN CA C 56.076 0.031 . 765 96 96 ASN CB C 38.174 0.023 . 766 96 96 ASN N N 118.118 0.017 . 767 97 97 LEU H H 8.241 0.003 . 768 97 97 LEU HA H 4.083 0.007 . 769 97 97 LEU HB2 H 1.747 0.003 . 770 97 97 LEU HB3 H 1.451 0.003 . 771 97 97 LEU HD1 H 0.868 0.000 . 772 97 97 LEU HD2 H 0.885 0.000 . 773 97 97 LEU HG H 1.754 0.000 . 774 97 97 LEU CA C 57.682 0.000 . 775 97 97 LEU CB C 46.877 7.544 . 776 97 97 LEU CD1 C 25.387 0.000 . 777 97 97 LEU CD2 C 23.067 0.000 . 778 97 97 LEU CG C 27.160 0.024 . 779 97 97 LEU N N 121.077 0.024 . 780 98 98 PHE H H 7.652 0.007 . 781 98 98 PHE CA C 60.135 0.006 . 782 98 98 PHE CB C 38.689 0.016 . 783 98 98 PHE N N 123.109 0.016 . 784 100 100 SER HA H 4.293 0.006 . 785 100 100 SER HB2 H 3.916 0.000 . 786 100 100 SER HB3 H 3.916 0.000 . 787 100 100 SER CA C 59.587 0.034 . 788 100 100 SER CB C 63.633 0.020 . 789 101 101 GLY H H 7.667 0.002 . 790 101 101 GLY HA2 H 3.960 0.000 . 791 101 101 GLY HA3 H 3.960 0.000 . 792 101 101 GLY CA C 45.791 0.019 . 793 101 101 GLY N N 109.331 0.005 . 794 102 102 ASP H H 8.068 0.002 . 795 102 102 ASP HA H 4.573 0.000 . 796 102 102 ASP HB2 H 2.621 0.000 . 797 102 102 ASP HB3 H 2.621 0.000 . 798 102 102 ASP CA C 54.924 0.129 . 799 102 102 ASP CB C 41.672 0.041 . 800 102 102 ASP N N 121.093 0.039 . 801 103 103 SER H H 8.210 0.004 . 802 103 103 SER HA H 4.316 0.002 . 803 103 103 SER HB2 H 3.863 0.002 . 804 103 103 SER HB3 H 3.863 0.002 . 805 103 103 SER HG H 4.789 0.009 . 806 103 103 SER CA C 59.625 0.065 . 807 103 103 SER CB C 63.398 0.001 . 808 103 103 SER N N 115.672 0.025 . 809 104 104 LEU H H 8.041 0.004 . 810 104 104 LEU CA C 55.831 0.029 . 811 104 104 LEU CB C 41.894 0.021 . 812 104 104 LEU N N 122.221 0.025 . 813 105 105 ARG H H 7.965 0.013 . 814 105 105 ARG N N 120.104 0.004 . stop_ save_