data_5748 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of 1H, 13C, and 15N Resonances of the ARID Domain of P270 ; _BMRB_accession_number 5748 _BMRB_flat_file_name bmr5748.str _Entry_type original _Submission_date 2003-03-19 _Accession_date 2003-03-19 _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 Kim Suhkmann . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 691 "13C chemical shifts" 374 "15N chemical shifts" 113 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-09-05 original author . stop_ _Original_release_date 2003-09-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Letter to the Editor: Assignment of 1H, 13C, and 15N Resonances of the ARID Domain of P270' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kim Suhkmann . . 2 Zhu Lingyang . . 3 Yu Bin . . 4 Chen Yuan . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 27 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 277 _Page_last 278 _Year 2003 _Details . save_ ################################## # Molecular system description # ################################## save_system_p270 _Saveframe_category molecular_system _Mol_system_name 'p270 or Human SWI1' _Abbreviation_common p270 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'p270, DNA-binding domain ARID' $ARID stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' loop_ _Biological_function 'DNA-binding protein' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ARID _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SWI1 _Abbreviation_common ARID _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 126 _Mol_residue_sequence ; SSTTTNEKITKLYELGGEPE RKMWVDRYLAFTEEKAMGMT NLPAVGRKPLDLYRLYVSVK EIGGLTQVNKNKKWRELATN LNVGTSSSAASSLKKQYIQC LYAFECKIERGEDPPPDIFA HHHHHH ; loop_ _Residue_seq_code _Residue_label 1 SER 2 SER 3 THR 4 THR 5 THR 6 ASN 7 GLU 8 LYS 9 ILE 10 THR 11 LYS 12 LEU 13 TYR 14 GLU 15 LEU 16 GLY 17 GLY 18 GLU 19 PRO 20 GLU 21 ARG 22 LYS 23 MET 24 TRP 25 VAL 26 ASP 27 ARG 28 TYR 29 LEU 30 ALA 31 PHE 32 THR 33 GLU 34 GLU 35 LYS 36 ALA 37 MET 38 GLY 39 MET 40 THR 41 ASN 42 LEU 43 PRO 44 ALA 45 VAL 46 GLY 47 ARG 48 LYS 49 PRO 50 LEU 51 ASP 52 LEU 53 TYR 54 ARG 55 LEU 56 TYR 57 VAL 58 SER 59 VAL 60 LYS 61 GLU 62 ILE 63 GLY 64 GLY 65 LEU 66 THR 67 GLN 68 VAL 69 ASN 70 LYS 71 ASN 72 LYS 73 LYS 74 TRP 75 ARG 76 GLU 77 LEU 78 ALA 79 THR 80 ASN 81 LEU 82 ASN 83 VAL 84 GLY 85 THR 86 SER 87 SER 88 SER 89 ALA 90 ALA 91 SER 92 SER 93 LEU 94 LYS 95 LYS 96 GLN 97 TYR 98 ILE 99 GLN 100 CYS 101 LEU 102 TYR 103 ALA 104 PHE 105 GLU 106 CYS 107 LYS 108 ILE 109 GLU 110 ARG 111 GLY 112 GLU 113 ASP 114 PRO 115 PRO 116 PRO 117 ASP 118 ILE 119 PHE 120 ALA 121 HIS 122 HIS 123 HIS 124 HIS 125 HIS 126 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1RYU "Solution Structure Of The Swi1 Arid" 95.24 120 100.00 100.00 4.50e-83 DBJ BAA23269 "B120 [Homo sapiens]" 95.24 1142 99.17 99.17 7.41e-70 DBJ BAA83073 "B120 [Homo sapiens]" 95.24 1119 100.00 100.00 8.51e-71 DBJ BAB55599 "SWI related protein [Homo sapiens]" 95.24 1208 100.00 100.00 3.17e-70 DBJ BAE06104 "ARID1A variant protein [Homo sapiens]" 95.24 1374 100.00 100.00 2.43e-70 DBJ BAG10234 "AT-rich interactive domain-containing protein 1A [synthetic construct]" 95.24 1359 100.00 100.00 2.26e-70 GB AAF75765 "SWI-SNF complex protein p270 [Homo sapiens]" 95.24 1927 100.00 100.00 7.14e-71 GB AAG17549 "chromatin remodelling factor p250 [Homo sapiens]" 95.24 1939 99.17 99.17 5.22e-70 GB AAG33967 "BRG1-Associated Factor 250a [Homo sapiens]" 95.24 2285 99.17 99.17 4.48e-70 GB AAH82554 "AT rich interactive domain 1A (SWI-like) [Mus musculus]" 95.24 1902 100.00 100.00 7.00e-71 GB AAK54504 "Osa1 nuclear protein [Mus musculus]" 95.24 1902 99.17 100.00 1.52e-70 REF NP_001074288 "AT-rich interactive domain-containing protein 1A [Mus musculus]" 95.24 2283 100.00 100.00 5.64e-71 REF NP_001100105 "AT-rich interactive domain-containing protein 1A [Rattus norvegicus]" 95.24 1911 100.00 100.00 7.77e-71 REF NP_001192714 "AT-rich interactive domain-containing protein 1A [Bos taurus]" 95.24 2286 100.00 100.00 4.83e-71 REF NP_006006 "AT-rich interactive domain-containing protein 1A isoform a [Homo sapiens]" 95.24 2285 100.00 100.00 5.64e-71 REF NP_624361 "AT-rich interactive domain-containing protein 1A isoform b [Homo sapiens]" 95.24 2068 100.00 100.00 2.60e-71 SP A2BH40 "RecName: Full=AT-rich interactive domain-containing protein 1A; Short=ARID domain-containing protein 1A; AltName: Full=BRG1-ass" 95.24 2283 100.00 100.00 5.64e-71 SP O14497 "RecName: Full=AT-rich interactive domain-containing protein 1A; Short=ARID domain-containing protein 1A; AltName: Full=B120; Al" 95.24 2285 100.00 100.00 5.64e-71 TPG DAA32224 "TPA: AT rich interactive domain 1A-like [Bos taurus]" 95.24 2092 100.00 100.00 6.20e-71 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ARID 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 $ARID 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $ARID . mM 0.5 1.0 . stop_ save_ ############################ # Computer software used # ############################ save_Felix _Saveframe_category software _Name FELIX _Version 98 loop_ _Task 'FT NMR spectrum' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_C(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _Sample_label . save_ save_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_15N-edited_5 _Saveframe_category NMR_applied_experiment _Experiment_name 15N-edited _Sample_label . save_ save_TOCSY-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY-HSQC _Sample_label . save_ save_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH _Sample_label . save_ save_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CO)NH _Sample_label . save_ ####################### # Sample conditions # ####################### save_ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.2 n/a temperature 293 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.0 . 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'p270, DNA-binding domain ARID' _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 SER CA C 58.550 0.5 1 2 . 2 SER HA H 4.540 0.02 1 3 . 2 SER CB C 63.560 0.5 1 4 . 2 SER HB3 H 3.880 0.02 1 5 . 2 SER HB2 H 3.880 0.02 1 6 . 3 THR N N 113.920 0.5 1 7 . 3 THR H H 8.240 0.02 1 8 . 3 THR CA C 61.700 0.5 1 9 . 3 THR HA H 4.470 0.02 1 10 . 3 THR CB C 69.360 0.5 1 11 . 3 THR HB H 4.310 0.02 1 12 . 3 THR CG2 C 21.440 0.5 1 13 . 3 THR HG2 H 1.160 0.02 1 14 . 4 THR N N 115.570 0.5 1 15 . 4 THR H H 8.010 0.02 1 16 . 4 THR CA C 61.330 0.5 1 17 . 4 THR HA H 4.600 0.02 1 18 . 4 THR CB C 70.710 0.5 1 19 . 4 THR HB H 4.170 0.02 1 20 . 4 THR CG2 C 21.140 0.5 1 21 . 4 THR HG2 H 1.140 0.02 1 22 . 5 THR N N 113.030 0.5 1 23 . 5 THR H H 8.140 0.02 1 24 . 5 THR CA C 61.350 0.5 1 25 . 5 THR HA H 4.500 0.02 1 26 . 5 THR CB C 70.520 0.5 1 27 . 5 THR HB H 4.320 0.02 1 28 . 5 THR CG2 C 21.680 0.5 1 29 . 5 THR HG2 H 1.060 0.02 1 30 . 6 ASN N N 117.530 0.5 1 31 . 6 ASN H H 8.470 0.02 1 32 . 6 ASN CA C 53.020 0.5 1 33 . 6 ASN HA H 4.710 0.02 1 34 . 6 ASN CB C 38.980 0.5 1 35 . 6 ASN HB3 H 2.660 0.02 1 36 . 6 ASN HB2 H 2.820 0.02 1 37 . 7 GLU N N 119.790 0.5 1 38 . 7 GLU H H 8.380 0.02 1 39 . 7 GLU CA C 55.130 0.5 1 40 . 7 GLU HA H 4.460 0.02 1 41 . 7 GLU CB C 30.800 0.5 1 42 . 7 GLU HB3 H 1.820 0.02 1 43 . 7 GLU HB2 H 2.040 0.02 1 44 . 7 GLU CG C 35.410 0.5 1 45 . 7 GLU HG3 H 2.250 0.02 1 46 . 7 GLU HG2 H 2.250 0.02 1 47 . 8 LYS N N 122.530 0.5 1 48 . 8 LYS H H 8.980 0.02 1 49 . 8 LYS CA C 56.660 0.5 1 50 . 8 LYS HA H 4.530 0.02 1 51 . 8 LYS CB C 34.000 0.5 1 52 . 8 LYS HB3 H 1.820 0.02 1 53 . 8 LYS HB2 H 2.040 0.02 1 54 . 8 LYS CG C 25.390 0.5 1 55 . 8 LYS HG3 H 1.560 0.02 1 56 . 8 LYS HG2 H 1.660 0.02 1 57 . 8 LYS CD C 28.800 0.5 1 58 . 8 LYS HD3 H 1.710 0.02 1 59 . 8 LYS HD2 H 1.710 0.02 1 60 . 8 LYS CE C 42.040 0.5 1 61 . 8 LYS HE3 H 3.010 0.02 1 62 . 8 LYS HE2 H 3.010 0.02 1 63 . 9 ILE N N 120.670 0.5 1 64 . 9 ILE H H 8.240 0.02 1 65 . 9 ILE CA C 61.740 0.5 1 66 . 9 ILE HA H 3.950 0.02 1 67 . 9 ILE CB C 39.270 0.5 1 68 . 9 ILE HB H 1.360 0.02 1 69 . 9 ILE CG1 C 29.500 0.5 1 70 . 9 ILE HG12 H 1.450 0.02 2 71 . 9 ILE CD1 C 14.870 0.5 1 72 . 9 ILE HD1 H 1.020 0.02 1 73 . 9 ILE CG2 C 17.760 0.5 1 74 . 9 ILE HG2 H 0.980 0.02 1 75 . 10 THR N N 108.310 0.5 1 76 . 10 THR H H 7.040 0.02 1 77 . 10 THR CA C 63.580 0.5 1 78 . 10 THR HA H 3.910 0.02 1 79 . 10 THR CB C 67.810 0.5 1 80 . 10 THR HB H 4.660 0.02 1 81 . 10 THR CG2 C 23.530 0.5 1 82 . 10 THR HG2 H 1.410 0.02 1 83 . 11 LYS N N 125.340 0.5 1 84 . 11 LYS H H 8.470 0.02 1 85 . 11 LYS CA C 57.460 0.5 1 86 . 11 LYS HA H 4.230 0.02 1 87 . 11 LYS CB C 32.390 0.5 1 88 . 11 LYS HB3 H 2.140 0.02 1 89 . 11 LYS HB2 H 2.140 0.02 1 90 . 11 LYS CG C 24.880 0.5 1 91 . 11 LYS HG3 H 1.550 0.02 1 92 . 11 LYS HG2 H 1.550 0.02 1 93 . 11 LYS CD C 28.810 0.5 1 94 . 11 LYS HD3 H 1.840 0.02 1 95 . 11 LYS HD2 H 1.840 0.02 1 96 . 11 LYS CE C 41.920 0.5 1 97 . 11 LYS HE3 H 2.860 0.02 1 98 . 11 LYS HE2 H 2.860 0.02 1 99 . 12 LEU N N 116.280 0.5 1 100 . 12 LEU H H 8.170 0.02 1 101 . 12 LEU CA C 58.010 0.5 1 102 . 12 LEU HA H 3.890 0.02 1 103 . 12 LEU CB C 44.800 0.5 1 104 . 12 LEU HB3 H 1.740 0.02 1 105 . 12 LEU HB2 H 1.410 0.02 1 106 . 12 LEU CG C 26.140 0.5 1 107 . 12 LEU HG H 2.210 0.02 1 108 . 12 LEU CD1 C 26.600 0.5 1 109 . 12 LEU HD1 H 1.120 0.02 1 110 . 12 LEU CD2 C 25.800 0.5 1 111 . 12 LEU HD2 H 1.120 0.02 1 112 . 13 TYR N N 113.080 0.5 1 113 . 13 TYR H H 7.480 0.02 1 114 . 13 TYR CA C 62.770 0.5 1 115 . 13 TYR HA H 4.010 0.02 1 116 . 13 TYR CB C 39.280 0.5 1 117 . 13 TYR HB3 H 2.920 0.02 1 118 . 13 TYR HB2 H 3.250 0.02 1 119 . 13 TYR HD1 H 7.500 0.02 1 120 . 14 GLU N N 111.980 0.5 1 121 . 14 GLU H H 7.770 0.02 1 122 . 14 GLU CA C 55.880 0.5 1 123 . 14 GLU HA H 4.580 0.02 1 124 . 14 GLU CB C 31.570 0.5 1 125 . 14 GLU HB3 H 1.960 0.02 1 126 . 14 GLU HB2 H 2.250 0.02 1 127 . 14 GLU CG C 36.210 0.5 1 128 . 14 GLU HG3 H 2.360 0.02 1 129 . 14 GLU HG2 H 2.360 0.02 1 130 . 15 LEU N N 116.100 0.5 1 131 . 15 LEU H H 6.810 0.02 1 132 . 15 LEU CA C 56.420 0.5 1 133 . 15 LEU HA H 4.170 0.02 1 134 . 15 LEU CB C 42.150 0.5 1 135 . 15 LEU HB3 H 1.730 0.02 1 136 . 15 LEU HB2 H 1.730 0.02 1 137 . 15 LEU CG C 25.660 0.5 1 138 . 15 LEU HG H 1.920 0.02 1 139 . 15 LEU CD1 C 21.690 0.5 1 140 . 15 LEU HD1 H 0.760 0.02 2 141 . 15 LEU CD2 C 25.770 0.5 1 142 . 15 LEU HD2 H 0.830 0.02 2 143 . 16 GLY N N 102.420 0.5 1 144 . 16 GLY H H 6.930 0.02 1 145 . 16 GLY CA C 45.340 0.5 1 146 . 16 GLY HA3 H 4.150 0.02 1 147 . 16 GLY HA2 H 4.150 0.02 1 148 . 17 GLY N N 107.260 0.5 1 149 . 17 GLY H H 8.470 0.02 1 150 . 17 GLY CA C 45.070 0.5 1 151 . 17 GLY HA3 H 3.540 0.02 1 152 . 17 GLY HA2 H 4.480 0.02 1 153 . 18 GLU N N 125.910 0.5 1 154 . 18 GLU H H 10.640 0.02 1 155 . 18 GLU CA C 56.170 0.5 1 156 . 18 GLU HA H 4.400 0.02 1 157 . 18 GLU CB C 27.620 0.5 1 158 . 18 GLU HB3 H 3.010 0.02 1 159 . 18 GLU HB2 H 3.010 0.02 1 160 . 18 GLU CG C 29.700 0.5 1 161 . 18 GLU HG3 H 3.160 0.02 1 162 . 18 GLU HG2 H 3.160 0.02 1 163 . 19 PRO CA C 65.430 0.5 1 164 . 19 PRO HA H 4.300 0.02 1 165 . 19 PRO CB C 32.120 0.5 1 166 . 19 PRO HB3 H 2.410 0.02 1 167 . 19 PRO HB2 H 2.410 0.02 1 168 . 19 PRO CG C 27.520 0.5 1 169 . 19 PRO HG3 H 1.980 0.02 1 170 . 19 PRO HG2 H 2.140 0.02 1 171 . 19 PRO CD C 50.790 0.5 1 172 . 19 PRO HD3 H 3.930 0.02 1 173 . 19 PRO HD2 H 4.010 0.02 1 174 . 20 GLU N N 113.910 0.5 1 175 . 20 GLU H H 8.840 0.02 1 176 . 20 GLU CA C 57.780 0.5 1 177 . 20 GLU HA H 4.230 0.02 1 178 . 20 GLU CB C 29.470 0.5 1 179 . 20 GLU HB3 H 2.120 0.02 1 180 . 20 GLU HB2 H 2.290 0.02 1 181 . 20 GLU CG C 36.690 0.5 1 182 . 20 GLU HG3 H 2.470 0.02 1 183 . 20 GLU HG2 H 2.470 0.02 1 184 . 21 ARG N N 118.920 0.5 1 185 . 21 ARG H H 7.350 0.02 1 186 . 21 ARG CA C 59.830 0.5 1 187 . 21 ARG HA H 3.890 0.02 1 188 . 21 ARG CB C 31.310 0.5 1 189 . 21 ARG HB3 H 1.300 0.02 1 190 . 21 ARG HB2 H 1.610 0.02 1 191 . 21 ARG CD C 42.060 0.5 1 192 . 21 ARG HG3 H 0.630 0.02 1 193 . 21 ARG HG2 H 1.060 0.02 1 194 . 21 ARG CG C 28.350 0.5 1 195 . 21 ARG HD3 H 2.840 0.02 1 196 . 21 ARG HD2 H 2.840 0.02 1 197 . 22 LYS N N 118.680 0.5 1 198 . 22 LYS H H 8.010 0.02 1 199 . 22 LYS CA C 61.480 0.5 1 200 . 22 LYS HA H 3.950 0.02 1 201 . 22 LYS CB C 31.120 0.5 1 202 . 22 LYS HB3 H 2.080 0.02 1 203 . 22 LYS HB2 H 2.080 0.02 1 204 . 22 LYS CG C 25.260 0.5 1 205 . 22 LYS HG3 H 1.510 0.02 1 206 . 22 LYS HG2 H 1.690 0.02 1 207 . 22 LYS CD C 28.920 0.5 1 208 . 22 LYS HD3 H 1.880 0.02 1 209 . 22 LYS HD2 H 1.880 0.02 1 210 . 22 LYS CE C 42.290 0.5 1 211 . 22 LYS HE3 H 2.920 0.02 1 212 . 22 LYS HE2 H 2.920 0.02 1 213 . 23 MET N N 115.000 0.5 1 214 . 23 MET H H 8.330 0.02 1 215 . 23 MET CA C 58.790 0.5 1 216 . 23 MET HA H 4.240 0.02 1 217 . 23 MET CB C 32.390 0.5 1 218 . 23 MET HB3 H 2.120 0.02 1 219 . 23 MET HB2 H 2.120 0.02 1 220 . 23 MET CG C 32.140 0.5 1 221 . 23 MET HG3 H 2.680 0.02 1 222 . 23 MET HG2 H 2.680 0.02 1 223 . 23 MET CE C 26.440 0.5 1 224 . 23 MET HE H 1.770 0.02 1 225 . 24 TRP N N 120.360 0.5 1 226 . 24 TRP H H 7.700 0.02 1 227 . 24 TRP CA C 62.760 0.5 1 228 . 24 TRP HA H 4.050 0.02 1 229 . 24 TRP CB C 30.300 0.5 1 230 . 24 TRP HB3 H 3.370 0.02 1 231 . 24 TRP HB2 H 3.370 0.02 1 232 . 24 TRP HD1 H 7.360 0.02 1 233 . 24 TRP HE1 H 10.640 0.02 1 234 . 24 TRP HZ2 H 7.110 0.02 1 235 . 24 TRP HH2 H 6.380 0.02 1 236 . 24 TRP HZ3 H 6.480 0.02 1 237 . 24 TRP HE3 H 7.290 0.02 1 238 . 25 VAL N N 118.900 0.5 1 239 . 25 VAL H H 9.100 0.02 1 240 . 25 VAL CA C 67.270 0.5 1 241 . 25 VAL HA H 3.350 0.02 1 242 . 25 VAL CB C 31.850 0.5 1 243 . 25 VAL HB H 1.920 0.02 1 244 . 25 VAL CG2 C 22.040 0.5 1 245 . 25 VAL HG2 H 0.080 0.02 2 246 . 25 VAL CG1 C 24.300 0.5 1 247 . 25 VAL HG1 H 0.920 0.02 2 248 . 26 ASP N N 118.470 0.5 1 249 . 26 ASP H H 8.850 0.02 1 250 . 26 ASP CA C 57.770 0.5 1 251 . 26 ASP HA H 4.230 0.02 1 252 . 26 ASP CB C 40.330 0.5 1 253 . 26 ASP HB3 H 2.670 0.02 1 254 . 26 ASP HB2 H 3.000 0.02 1 255 . 27 ARG N N 119.320 0.5 1 256 . 27 ARG H H 7.560 0.02 1 257 . 27 ARG CA C 58.810 0.5 1 258 . 27 ARG HA H 4.030 0.02 1 259 . 27 ARG CB C 30.550 0.5 1 260 . 27 ARG HB3 H 1.860 0.02 1 261 . 27 ARG HB2 H 1.860 0.02 1 262 . 27 ARG CG C 27.240 0.5 1 263 . 27 ARG HG3 H 1.690 0.02 1 264 . 27 ARG HG2 H 1.690 0.02 1 265 . 27 ARG CD C 43.590 0.5 1 266 . 27 ARG HD3 H 3.130 0.02 1 267 . 27 ARG HD2 H 3.130 0.02 1 268 . 28 TYR N N 123.210 0.5 1 269 . 28 TYR H H 8.800 0.02 1 270 . 28 TYR CA C 60.900 0.5 1 271 . 28 TYR HA H 3.170 0.02 1 272 . 28 TYR CB C 37.950 0.5 1 273 . 28 TYR HB3 H 0.830 0.02 1 274 . 28 TYR HB2 H 1.830 0.02 1 275 . 28 TYR HD1 H 6.390 0.02 1 276 . 28 TYR HE1 H 5.710 0.02 1 277 . 28 TYR HE2 H 5.710 0.02 1 278 . 28 TYR HD2 H 6.390 0.02 1 279 . 29 LEU N N 118.010 0.5 1 280 . 29 LEU H H 9.080 0.02 1 281 . 29 LEU CA C 57.470 0.5 1 282 . 29 LEU HA H 3.820 0.02 1 283 . 29 LEU CB C 39.780 0.5 1 284 . 29 LEU HB3 H 1.780 0.02 1 285 . 29 LEU HB2 H 1.780 0.02 1 286 . 29 LEU CG C 26.180 0.5 1 287 . 29 LEU HG H 1.340 0.02 1 288 . 29 LEU CD1 C 22.740 0.5 1 289 . 29 LEU HD1 H 0.750 0.02 2 290 . 29 LEU CD2 C 26.280 0.5 1 291 . 29 LEU HD2 H 0.840 0.02 2 292 . 30 ALA N N 120.600 0.5 1 293 . 30 ALA H H 7.350 0.02 1 294 . 30 ALA CA C 55.140 0.5 1 295 . 30 ALA HA H 4.110 0.02 1 296 . 30 ALA CB C 17.870 0.5 1 297 . 30 ALA HB H 1.470 0.02 1 298 . 31 PHE N N 121.080 0.5 1 299 . 31 PHE H H 7.820 0.02 1 300 . 31 PHE CA C 61.440 0.5 1 301 . 31 PHE HA H 4.260 0.02 1 302 . 31 PHE CB C 39.280 0.5 1 303 . 31 PHE HB3 H 3.210 0.02 1 304 . 31 PHE HB2 H 3.210 0.02 1 305 . 31 PHE HD1 H 6.980 0.02 1 306 . 31 PHE HE1 H 7.270 0.02 1 307 . 31 PHE HE2 H 7.270 0.02 1 308 . 31 PHE HD2 H 6.980 0.02 1 309 . 32 THR N N 109.990 0.5 1 310 . 32 THR H H 8.520 0.02 1 311 . 32 THR CA C 65.160 0.5 1 312 . 32 THR HA H 3.780 0.02 1 313 . 32 THR CB C 68.600 0.5 1 314 . 32 THR HB H 3.920 0.02 1 315 . 32 THR CG2 C 21.450 0.5 1 316 . 32 THR HG2 H 0.770 0.02 1 317 . 33 GLU N N 121.460 0.5 1 318 . 33 GLU H H 7.430 0.02 1 319 . 33 GLU CA C 58.580 0.5 1 320 . 33 GLU HA H 4.150 0.02 1 321 . 33 GLU CB C 29.500 0.5 1 322 . 33 GLU HB3 H 1.990 0.02 1 323 . 33 GLU HB2 H 2.140 0.02 1 324 . 33 GLU CG C 35.870 0.5 1 325 . 33 GLU HG3 H 2.250 0.02 1 326 . 33 GLU HG2 H 2.250 0.02 1 327 . 34 GLU N N 123.590 0.5 1 328 . 34 GLU H H 8.230 0.02 1 329 . 34 GLU CA C 59.320 0.5 1 330 . 34 GLU HA H 3.890 0.02 1 331 . 34 GLU CB C 29.490 0.5 1 332 . 34 GLU HB3 H 2.060 0.02 1 333 . 34 GLU HB2 H 2.060 0.02 1 334 . 34 GLU CG C 35.770 0.5 1 335 . 34 GLU HG3 H 2.250 0.02 1 336 . 34 GLU HG2 H 2.250 0.02 1 337 . 35 LYS N N 113.710 0.5 1 338 . 35 LYS H H 7.640 0.02 1 339 . 35 LYS CA C 53.780 0.5 1 340 . 35 LYS HA H 3.890 0.02 1 341 . 35 LYS CB C 31.070 0.5 1 342 . 35 LYS HB3 H 1.630 0.02 1 343 . 35 LYS HB2 H 1.630 0.02 1 344 . 35 LYS CG C 23.690 0.5 1 345 . 35 LYS HG3 H 0.550 0.02 1 346 . 35 LYS HG2 H 0.550 0.02 1 347 . 35 LYS CD C 27.290 0.5 1 348 . 35 LYS HD3 H 1.040 0.02 1 349 . 35 LYS HD2 H 1.200 0.02 1 350 . 35 LYS CE C 42.020 0.5 1 351 . 35 LYS HE3 H 2.570 0.02 1 352 . 35 LYS HE2 H 2.800 0.02 1 353 . 36 ALA N N 122.350 0.5 1 354 . 36 ALA H H 7.690 0.02 1 355 . 36 ALA CA C 52.720 0.5 1 356 . 36 ALA HA H 4.090 0.02 1 357 . 36 ALA CB C 16.280 0.5 1 358 . 36 ALA HB H 1.260 0.02 1 359 . 37 MET N N 113.890 0.5 1 360 . 37 MET H H 8.090 0.02 1 361 . 37 MET CA C 57.540 0.5 1 362 . 37 MET HA H 4.030 0.02 1 363 . 37 MET CB C 34.500 0.5 1 364 . 37 MET HB3 H 1.590 0.02 1 365 . 37 MET HB2 H 1.590 0.02 1 366 . 37 MET CG C 32.450 0.5 1 367 . 37 MET HG3 H 2.550 0.02 1 368 . 37 MET HG2 H 2.250 0.02 1 369 . 37 MET CE C 15.640 0.5 1 370 . 37 MET HE H 2.260 0.02 1 371 . 38 GLY N N 109.140 0.5 1 372 . 38 GLY H H 8.540 0.02 1 373 . 38 GLY CA C 46.920 0.5 1 374 . 38 GLY HA3 H 3.740 0.02 1 375 . 38 GLY HA2 H 4.540 0.02 1 376 . 39 MET N N 120.640 0.5 1 377 . 39 MET H H 8.200 0.02 1 378 . 39 MET CA C 53.810 0.5 1 379 . 39 MET HA H 4.710 0.02 1 380 . 39 MET CB C 31.570 0.5 1 381 . 39 MET HB3 H 1.720 0.02 1 382 . 39 MET HB2 H 1.720 0.02 1 383 . 39 MET CG C 31.350 0.5 1 384 . 39 MET HG3 H 2.510 0.02 1 385 . 39 MET HG2 H 2.510 0.02 1 386 . 39 MET CE C 17.160 0.5 1 387 . 39 MET HE H 2.250 0.02 1 388 . 40 THR N N 114.410 0.5 1 389 . 40 THR H H 8.240 0.02 1 390 . 40 THR CA C 62.870 0.5 1 391 . 40 THR HA H 4.280 0.02 1 392 . 40 THR CB C 69.660 0.5 1 393 . 40 THR HB H 4.150 0.02 1 394 . 40 THR CG2 C 21.410 0.5 1 395 . 40 THR HG2 H 1.100 0.02 1 396 . 41 ASN N N 122.110 0.5 1 397 . 41 ASN H H 8.480 0.02 1 398 . 41 ASN CA C 52.150 0.5 1 399 . 41 ASN HA H 5.420 0.02 1 400 . 41 ASN CB C 41.380 0.5 1 401 . 41 ASN HB3 H 2.470 0.02 1 402 . 41 ASN HB2 H 2.760 0.02 1 403 . 41 ASN ND2 N 110.480 0.5 1 404 . 41 ASN HD21 H 6.920 0.02 2 405 . 41 ASN HD22 H 7.420 0.02 2 406 . 42 LEU N N 121.480 0.5 1 407 . 42 LEU H H 8.270 0.02 1 408 . 42 LEU CA C 53.000 0.5 1 409 . 42 LEU HA H 4.370 0.02 1 410 . 42 LEU CB C 42.680 0.5 1 411 . 42 LEU HB3 H 1.710 0.02 1 412 . 42 LEU HB2 H 1.320 0.02 1 413 . 42 LEU CG C 26.200 0.5 1 414 . 42 LEU HG H 1.930 0.02 1 415 . 42 LEU CD1 C 26.500 0.5 1 416 . 42 LEU HD1 H 0.860 0.02 2 417 . 42 LEU CD2 C 26.000 0.5 1 418 . 42 LEU HD2 H 0.960 0.02 2 419 . 43 PRO CA C 62.800 0.5 1 420 . 43 PRO HA H 4.660 0.02 1 421 . 43 PRO CB C 32.920 0.5 1 422 . 43 PRO HB3 H 1.770 0.02 1 423 . 43 PRO HB2 H 2.450 0.02 1 424 . 43 PRO CG C 27.810 0.5 1 425 . 43 PRO HG3 H 2.150 0.02 1 426 . 43 PRO HG2 H 2.250 0.02 1 427 . 43 PRO CD C 50.470 0.5 1 428 . 43 PRO HD3 H 3.660 0.02 1 429 . 43 PRO HD2 H 4.110 0.02 1 430 . 44 ALA N N 119.390 0.5 1 431 . 44 ALA H H 7.830 0.02 1 432 . 44 ALA CA C 50.600 0.5 1 433 . 44 ALA HA H 4.990 0.02 1 434 . 44 ALA CB C 23.920 0.5 1 435 . 44 ALA HB H 0.960 0.02 1 436 . 45 VAL N N 118.940 0.5 1 437 . 45 VAL H H 8.390 0.02 1 438 . 45 VAL CA C 62.220 0.5 1 439 . 45 VAL HA H 4.050 0.02 1 440 . 45 VAL CB C 33.970 0.5 1 441 . 45 VAL HB H 1.820 0.02 1 442 . 45 VAL CG2 C 20.890 0.5 1 443 . 45 VAL HG2 H 0.890 0.02 2 444 . 45 VAL CG1 C 22.150 0.5 1 445 . 45 VAL HG1 H 0.790 0.02 2 446 . 46 GLY N N 119.060 0.5 1 447 . 46 GLY H H 9.160 0.02 1 448 . 46 GLY CA C 47.420 0.5 1 449 . 46 GLY HA3 H 3.870 0.02 1 450 . 46 GLY HA2 H 3.720 0.02 1 451 . 47 ARG N N 116.540 0.5 1 452 . 47 ARG H H 8.790 0.02 1 453 . 47 ARG CA C 56.940 0.5 1 454 . 47 ARG HA H 3.930 0.02 1 455 . 47 ARG CB C 29.490 0.5 1 456 . 47 ARG HB3 H 1.990 0.02 1 457 . 47 ARG HB2 H 1.990 0.02 1 458 . 47 ARG CG C 27.580 0.5 1 459 . 47 ARG HG3 H 1.550 0.02 1 460 . 47 ARG HG2 H 1.550 0.02 1 461 . 47 ARG CD C 43.130 0.5 1 462 . 47 ARG HD3 H 3.150 0.02 1 463 . 47 ARG HD2 H 3.150 0.02 1 464 . 48 LYS N N 121.630 0.5 1 465 . 48 LYS H H 7.900 0.02 1 466 . 48 LYS CA C 53.020 0.5 1 467 . 48 LYS HA H 4.750 0.02 1 468 . 48 LYS CB C 32.910 0.5 1 469 . 48 LYS HB3 H 1.950 0.02 1 470 . 48 LYS HB2 H 2.100 0.02 1 471 . 48 LYS CG C 24.700 0.5 1 472 . 48 LYS HG3 H 1.430 0.02 1 473 . 48 LYS HG2 H 1.500 0.02 1 474 . 48 LYS CD C 28.800 0.5 1 475 . 48 LYS HD3 H 1.710 0.02 1 476 . 48 LYS HD2 H 1.710 0.02 1 477 . 48 LYS CE C 41.900 0.5 1 478 . 48 LYS HE3 H 2.980 0.02 1 479 . 48 LYS HE2 H 2.980 0.02 1 480 . 49 PRO CA C 62.540 0.5 1 481 . 49 PRO HA H 4.230 0.02 1 482 . 49 PRO CB C 32.670 0.5 1 483 . 49 PRO HB3 H 2.120 0.02 1 484 . 49 PRO HB2 H 2.120 0.02 1 485 . 49 PRO CG C 27.270 0.5 1 486 . 49 PRO HG3 H 1.720 0.02 1 487 . 49 PRO HG2 H 1.720 0.02 1 488 . 49 PRO CD C 50.550 0.5 1 489 . 49 PRO HD3 H 3.720 0.02 1 490 . 49 PRO HD2 H 3.910 0.02 1 491 . 50 LEU N N 123.820 0.5 1 492 . 50 LEU H H 8.460 0.02 1 493 . 50 LEU CA C 53.000 0.5 1 494 . 50 LEU HA H 4.340 0.02 1 495 . 50 LEU CB C 43.740 0.5 1 496 . 50 LEU HB3 H 0.940 0.02 1 497 . 50 LEU HB2 H 1.550 0.02 1 498 . 50 LEU CG C 25.640 0.5 1 499 . 50 LEU HG H 1.130 0.02 1 500 . 50 LEU CD1 C 23.380 0.5 1 501 . 50 LEU HD1 H 0.750 0.02 2 502 . 50 LEU CD2 C 21.420 0.5 1 503 . 50 LEU HD2 H 0.630 0.02 2 504 . 51 ASP N N 122.590 0.5 1 505 . 51 ASP H H 8.510 0.02 1 506 . 51 ASP CA C 52.450 0.5 1 507 . 51 ASP HA H 4.300 0.02 1 508 . 51 ASP CB C 39.260 0.5 1 509 . 51 ASP HB3 H 2.960 0.02 1 510 . 51 ASP HB2 H 3.180 0.02 1 511 . 52 LEU N N 122.590 0.5 1 512 . 52 LEU H H 6.820 0.02 1 513 . 52 LEU CA C 57.230 0.5 1 514 . 52 LEU HA H 3.760 0.02 1 515 . 52 LEU CB C 42.940 0.5 1 516 . 52 LEU HB3 H 1.450 0.02 1 517 . 52 LEU HB2 H 1.720 0.02 1 518 . 52 LEU CG C 26.250 0.5 1 519 . 52 LEU HG H 1.080 0.02 1 520 . 52 LEU CD1 C 21.610 0.5 1 521 . 52 LEU HD1 H 0.790 0.02 1 522 . 52 LEU CD2 C 26.280 0.5 1 523 . 52 LEU HD2 H 0.790 0.02 1 524 . 53 TYR N N 115.230 0.5 1 525 . 53 TYR H H 7.220 0.02 1 526 . 53 TYR CA C 60.410 0.5 1 527 . 53 TYR HA H 2.490 0.02 1 528 . 53 TYR CB C 37.400 0.5 1 529 . 53 TYR HB3 H 2.660 0.02 1 530 . 53 TYR HB2 H 2.400 0.02 1 531 . 53 TYR HD1 H 6.320 0.02 1 532 . 53 TYR HE1 H 6.220 0.02 1 533 . 53 TYR HE2 H 6.220 0.02 1 534 . 53 TYR HD2 H 6.320 0.02 1 535 . 54 ARG N N 116.920 0.5 1 536 . 54 ARG H H 6.480 0.02 1 537 . 54 ARG CA C 58.550 0.5 1 538 . 54 ARG HA H 3.320 0.02 1 539 . 54 ARG CB C 30.030 0.5 1 540 . 54 ARG HB3 H 1.420 0.02 1 541 . 54 ARG HB2 H 1.620 0.02 1 542 . 54 ARG CG C 27.990 0.5 1 543 . 54 ARG HG3 H 1.450 0.02 1 544 . 54 ARG HG2 H 1.450 0.02 1 545 . 54 ARG CD C 43.020 0.5 1 546 . 54 ARG HD3 H 3.150 0.02 1 547 . 54 ARG HD2 H 3.150 0.02 1 548 . 55 LEU N N 118.920 0.5 1 549 . 55 LEU H H 8.130 0.02 1 550 . 55 LEU CA C 58.150 0.5 1 551 . 55 LEU HA H 3.950 0.02 1 552 . 55 LEU CB C 41.120 0.5 1 553 . 55 LEU HB3 H 1.330 0.02 1 554 . 55 LEU HB2 H 1.860 0.02 1 555 . 55 LEU CG C 26.990 0.5 1 556 . 55 LEU HG H 1.690 0.02 1 557 . 55 LEU CD1 C 22.670 0.5 1 558 . 55 LEU HD1 H 1.060 0.02 1 559 . 55 LEU CD2 C 26.790 0.5 1 560 . 55 LEU HD2 H 1.060 0.02 1 561 . 56 TYR N N 119.320 0.5 1 562 . 56 TYR H H 8.070 0.02 1 563 . 56 TYR CA C 64.100 0.5 1 564 . 56 TYR HA H 3.780 0.02 1 565 . 56 TYR CB C 39.000 0.5 1 566 . 56 TYR HB3 H 2.590 0.02 1 567 . 56 TYR HB2 H 3.150 0.02 1 568 . 56 TYR HD1 H 6.430 0.02 1 569 . 56 TYR HE1 H 6.250 0.02 1 570 . 56 TYR HE2 H 6.250 0.02 1 571 . 56 TYR HD2 H 6.430 0.02 1 572 . 57 VAL N N 116.110 0.5 1 573 . 57 VAL H H 7.990 0.02 1 574 . 57 VAL CA C 66.210 0.5 1 575 . 57 VAL HA H 3.330 0.02 1 576 . 57 VAL CB C 31.590 0.5 1 577 . 57 VAL HB H 1.610 0.02 1 578 . 57 VAL CG2 C 20.920 0.5 1 579 . 57 VAL HG2 H 0.300 0.02 2 580 . 57 VAL CG1 C 20.920 0.5 1 581 . 57 VAL HG1 H 0.590 0.02 2 582 . 58 SER N N 116.380 0.5 1 583 . 58 SER H H 7.820 0.02 1 584 . 58 SER CA C 62.470 0.5 1 585 . 58 SER HA H 4.070 0.02 1 586 . 58 SER CB C 63.820 0.5 1 587 . 58 SER HB3 H 3.690 0.02 1 588 . 58 SER HB2 H 3.690 0.02 1 589 . 59 VAL N N 122.350 0.5 1 590 . 59 VAL H H 7.900 0.02 1 591 . 59 VAL CA C 66.460 0.5 1 592 . 59 VAL HA H 3.060 0.02 1 593 . 59 VAL CB C 30.800 0.5 1 594 . 59 VAL HB H 1.790 0.02 1 595 . 59 VAL CG2 C 19.450 0.5 1 596 . 59 VAL HG2 H 0.240 0.02 2 597 . 59 VAL CG1 C 24.070 0.5 1 598 . 59 VAL HG1 H 0.480 0.02 2 599 . 60 LYS N N 124.930 0.5 1 600 . 60 LYS H H 8.230 0.02 1 601 . 60 LYS CA C 59.660 0.5 1 602 . 60 LYS HA H 3.600 0.02 1 603 . 60 LYS CB C 32.190 0.5 1 604 . 60 LYS HB3 H 1.300 0.02 1 605 . 60 LYS HB2 H 1.730 0.02 1 606 . 60 LYS CG C 24.740 0.5 1 607 . 60 LYS HG3 H 1.080 0.02 1 608 . 60 LYS HG2 H 1.080 0.02 1 609 . 60 LYS CD C 29.680 0.5 1 610 . 60 LYS HD3 H 1.570 0.02 1 611 . 60 LYS HD2 H 1.570 0.02 1 612 . 60 LYS CE C 42.290 0.5 1 613 . 60 LYS HE3 H 2.980 0.02 1 614 . 60 LYS HE2 H 2.980 0.02 1 615 . 61 GLU N N 118.220 0.5 1 616 . 61 GLU H H 7.710 0.02 1 617 . 61 GLU CA C 58.830 0.5 1 618 . 61 GLU HA H 3.830 0.02 1 619 . 61 GLU CB C 29.490 0.5 1 620 . 61 GLU HB3 H 1.960 0.02 1 621 . 61 GLU HB2 H 2.140 0.02 1 622 . 61 GLU CG C 35.960 0.5 1 623 . 61 GLU HG3 H 2.310 0.02 1 624 . 61 GLU HG2 H 2.310 0.02 1 625 . 62 ILE N N 116.120 0.5 1 626 . 62 ILE H H 6.770 0.02 1 627 . 62 ILE CA C 62.530 0.5 1 628 . 62 ILE HA H 3.760 0.02 1 629 . 62 ILE CB C 38.180 0.5 1 630 . 62 ILE HB H 1.530 0.02 1 631 . 62 ILE CG1 C 28.660 0.5 1 632 . 62 ILE HG12 H 0.960 0.02 2 633 . 62 ILE CD1 C 14.100 0.5 1 634 . 62 ILE HD1 H 0.490 0.02 1 635 . 62 ILE CG2 C 17.110 0.5 1 636 . 62 ILE HG2 H 0.550 0.02 1 637 . 63 GLY N N 104.270 0.5 1 638 . 63 GLY H H 7.520 0.02 1 639 . 63 GLY CA C 44.830 0.5 1 640 . 63 GLY HA3 H 3.620 0.02 1 641 . 63 GLY HA2 H 4.300 0.02 1 642 . 64 GLY N N 109.970 0.5 1 643 . 64 GLY H H 7.650 0.02 1 644 . 64 GLY CA C 43.490 0.5 1 645 . 64 GLY HA3 H 3.290 0.02 1 646 . 64 GLY HA2 H 4.540 0.02 1 647 . 65 LEU N N 121.680 0.5 1 648 . 65 LEU H H 9.050 0.02 1 649 . 65 LEU CA C 59.850 0.5 1 650 . 65 LEU HA H 3.450 0.02 1 651 . 65 LEU CB C 42.430 0.5 1 652 . 65 LEU HB3 H 1.790 0.02 1 653 . 65 LEU HB2 H 1.900 0.02 1 654 . 65 LEU CG C 27.090 0.5 1 655 . 65 LEU HG H 1.430 0.02 1 656 . 65 LEU CD1 C 25.380 0.5 1 657 . 65 LEU HD1 H 0.980 0.02 2 658 . 65 LEU CD2 C 21.250 0.5 1 659 . 65 LEU HD2 H 0.280 0.02 2 660 . 66 THR N N 111.120 0.5 1 661 . 66 THR H H 8.960 0.02 1 662 . 66 THR CA C 66.460 0.5 1 663 . 66 THR HA H 3.820 0.02 1 664 . 66 THR CB C 68.060 0.5 1 665 . 66 THR HB H 4.070 0.02 1 666 . 66 THR CG2 C 21.970 0.5 1 667 . 66 THR HG2 H 1.220 0.02 1 668 . 67 GLN N N 119.330 0.5 1 669 . 67 GLN H H 7.210 0.02 1 670 . 67 GLN CA C 57.730 0.5 1 671 . 67 GLN HA H 3.970 0.02 1 672 . 67 GLN CB C 29.210 0.5 1 673 . 67 GLN HB3 H 1.610 0.02 1 674 . 67 GLN HB2 H 1.870 0.02 1 675 . 67 GLN CG C 33.570 0.5 1 676 . 67 GLN HG3 H 2.370 0.02 1 677 . 67 GLN HG2 H 2.210 0.02 1 678 . 68 VAL N N 122.350 0.5 1 679 . 68 VAL H H 7.840 0.02 1 680 . 68 VAL CA C 66.710 0.5 1 681 . 68 VAL HA H 2.920 0.02 1 682 . 68 VAL CB C 30.810 0.5 1 683 . 68 VAL HB H 1.280 0.02 1 684 . 68 VAL CG2 C 19.540 0.5 1 685 . 68 VAL HG2 H -1.300 0.02 2 686 . 68 VAL CG1 C 24.140 0.5 1 687 . 68 VAL HG1 H 0.280 0.02 2 688 . 69 ASN N N 116.110 0.5 1 689 . 69 ASN H H 8.070 0.02 1 690 . 69 ASN CA C 55.340 0.5 1 691 . 69 ASN HA H 4.560 0.02 1 692 . 69 ASN CB C 37.430 0.5 1 693 . 69 ASN HB3 H 2.880 0.02 1 694 . 69 ASN HB2 H 2.960 0.02 1 695 . 70 LYS N N 121.270 0.5 1 696 . 70 LYS H H 8.250 0.02 1 697 . 70 LYS CA C 59.350 0.5 1 698 . 70 LYS HA H 3.950 0.02 1 699 . 70 LYS CB C 32.930 0.5 1 700 . 70 LYS HB3 H 1.660 0.02 1 701 . 70 LYS HB2 H 1.860 0.02 1 702 . 70 LYS CG C 24.630 0.5 1 703 . 70 LYS HG3 H 1.320 0.02 1 704 . 70 LYS HG2 H 1.320 0.02 1 705 . 70 LYS CD C 29.140 0.5 1 706 . 70 LYS HD3 H 1.590 0.02 1 707 . 70 LYS HD2 H 1.590 0.02 1 708 . 70 LYS CE C 41.830 0.5 1 709 . 70 LYS HE3 H 2.900 0.02 1 710 . 70 LYS HE2 H 2.900 0.02 1 711 . 71 ASN N N 112.680 0.5 1 712 . 71 ASN H H 7.650 0.02 1 713 . 71 ASN CA C 53.370 0.5 1 714 . 71 ASN HA H 4.640 0.02 1 715 . 71 ASN CB C 38.910 0.5 1 716 . 71 ASN HB3 H 2.350 0.02 1 717 . 71 ASN HB2 H 2.760 0.02 1 718 . 72 LYS N N 118.220 0.5 1 719 . 72 LYS H H 7.770 0.02 1 720 . 72 LYS CA C 56.980 0.5 1 721 . 72 LYS HA H 4.050 0.02 1 722 . 72 LYS CB C 29.450 0.5 1 723 . 72 LYS HB3 H 1.870 0.02 1 724 . 72 LYS HB2 H 1.870 0.02 1 725 . 72 LYS CG C 22.710 0.5 1 726 . 72 LYS HG3 H 1.410 0.02 1 727 . 72 LYS HG2 H 1.410 0.02 1 728 . 72 LYS CD C 24.860 0.5 1 729 . 72 LYS HD3 H 1.750 0.02 1 730 . 72 LYS HD2 H 1.920 0.02 1 731 . 72 LYS CE C 42.290 0.5 1 732 . 72 LYS HE3 H 3.010 0.02 1 733 . 72 LYS HE2 H 3.010 0.02 1 734 . 73 LYS N N 114.240 0.5 1 735 . 73 LYS H H 7.430 0.02 1 736 . 73 LYS CA C 55.370 0.5 1 737 . 73 LYS HA H 4.480 0.02 1 738 . 73 LYS CB C 33.970 0.5 1 739 . 73 LYS HB3 H 1.860 0.02 1 740 . 73 LYS HB2 H 1.860 0.02 1 741 . 73 LYS CG C 24.820 0.5 1 742 . 73 LYS HG3 H 1.190 0.02 1 743 . 73 LYS HG2 H 1.310 0.02 1 744 . 73 LYS CD C 28.460 0.5 1 745 . 73 LYS HD3 H 1.510 0.02 1 746 . 73 LYS HD2 H 1.510 0.02 1 747 . 73 LYS CE C 41.640 0.5 1 748 . 73 LYS HE3 H 2.800 0.02 1 749 . 73 LYS HE2 H 2.800 0.02 1 750 . 74 TRP N N 118.720 0.5 1 751 . 74 TRP H H 7.430 0.02 1 752 . 74 TRP CA C 61.160 0.5 1 753 . 74 TRP HA H 4.050 0.02 1 754 . 74 TRP CB C 29.220 0.5 1 755 . 74 TRP HB3 H 3.070 0.02 1 756 . 74 TRP HB2 H 3.390 0.02 1 757 . 74 TRP HD1 H 7.400 0.02 1 758 . 74 TRP HZ2 H 7.290 0.02 1 759 . 74 TRP HH2 H 6.300 0.02 1 760 . 74 TRP HZ3 H 5.730 0.02 1 761 . 74 TRP HE3 H 6.420 0.02 1 762 . 75 ARG N N 119.210 0.5 1 763 . 75 ARG H H 8.310 0.02 1 764 . 75 ARG CA C 59.890 0.5 1 765 . 75 ARG HA H 3.990 0.02 1 766 . 75 ARG CB C 29.550 0.5 1 767 . 75 ARG HB3 H 1.750 0.02 1 768 . 75 ARG HB2 H 1.960 0.02 1 769 . 75 ARG CG C 27.300 0.5 1 770 . 75 ARG HG3 H 1.490 0.02 1 771 . 75 ARG HG2 H 1.490 0.02 1 772 . 75 ARG CD C 43.660 0.5 1 773 . 75 ARG HD3 H 3.110 0.02 1 774 . 75 ARG HD2 H 3.110 0.02 1 775 . 76 GLU N N 123.200 0.5 1 776 . 76 GLU H H 8.160 0.02 1 777 . 76 GLU CA C 59.600 0.5 1 778 . 76 GLU HA H 3.880 0.02 1 779 . 76 GLU CB C 29.730 0.5 1 780 . 76 GLU HB3 H 1.870 0.02 1 781 . 76 GLU HB2 H 2.040 0.02 1 782 . 76 GLU CG C 36.470 0.5 1 783 . 76 GLU HG3 H 2.210 0.02 1 784 . 76 GLU HG2 H 2.210 0.02 1 785 . 77 LEU N N 118.410 0.5 1 786 . 77 LEU H H 7.920 0.02 1 787 . 77 LEU CA C 58.030 0.5 1 788 . 77 LEU HA H 3.870 0.02 1 789 . 77 LEU CB C 42.420 0.5 1 790 . 77 LEU HB3 H 1.410 0.02 1 791 . 77 LEU HB2 H 1.740 0.02 1 792 . 77 LEU CG C 27.290 0.5 1 793 . 77 LEU HG H 1.040 0.02 1 794 . 77 LEU CD1 C 23.890 0.5 1 795 . 77 LEU HD1 H 0.530 0.02 2 796 . 77 LEU CD2 C 27.660 0.5 1 797 . 77 LEU HD2 H 0.140 0.02 2 798 . 78 ALA N N 120.700 0.5 1 799 . 78 ALA H H 8.330 0.02 1 800 . 78 ALA CA C 55.630 0.5 1 801 . 78 ALA HA H 3.780 0.02 1 802 . 78 ALA CB C 17.040 0.5 1 803 . 78 ALA HB H 1.350 0.02 1 804 . 79 THR N N 114.340 0.5 1 805 . 79 THR H H 7.930 0.02 1 806 . 79 THR CA C 66.220 0.5 1 807 . 79 THR HA H 3.870 0.02 1 808 . 79 THR CB C 68.840 0.5 1 809 . 79 THR HB H 4.300 0.02 1 810 . 79 THR CG2 C 20.640 0.5 1 811 . 79 THR HG2 H 1.160 0.02 1 812 . 80 ASN N N 122.380 0.5 1 813 . 80 ASN H H 8.380 0.02 1 814 . 80 ASN CA C 55.670 0.5 1 815 . 80 ASN HA H 4.380 0.02 1 816 . 80 ASN CB C 37.940 0.5 1 817 . 80 ASN HB3 H 2.720 0.02 1 818 . 80 ASN HB2 H 2.810 0.02 1 819 . 80 ASN ND2 N 111.960 0.5 1 820 . 80 ASN HD21 H 7.200 0.02 2 821 . 80 ASN HD22 H 6.890 0.02 2 822 . 81 LEU N N 118.470 0.5 1 823 . 81 LEU H H 8.100 0.02 1 824 . 81 LEU CA C 54.830 0.5 1 825 . 81 LEU HA H 4.250 0.02 1 826 . 81 LEU CB C 41.630 0.5 1 827 . 81 LEU HB3 H 1.650 0.02 1 828 . 81 LEU HB2 H 1.710 0.02 1 829 . 81 LEU CG C 26.970 0.5 1 830 . 81 LEU HG H 1.860 0.02 1 831 . 81 LEU CD1 C 23.040 0.5 1 832 . 81 LEU HD1 H 0.680 0.02 2 833 . 81 LEU CD2 C 21.640 0.5 1 834 . 81 LEU HD2 H 0.730 0.02 2 835 . 82 ASN N N 114.340 0.5 1 836 . 82 ASN H H 7.900 0.02 1 837 . 82 ASN CA C 54.340 0.5 1 838 . 82 ASN HA H 4.520 0.02 1 839 . 82 ASN CB C 37.150 0.5 1 840 . 82 ASN HB3 H 2.780 0.02 1 841 . 82 ASN HB2 H 2.780 0.02 1 842 . 83 VAL N N 109.190 0.5 1 843 . 83 VAL H H 8.130 0.02 1 844 . 83 VAL CA C 61.170 0.5 1 845 . 83 VAL HA H 4.460 0.02 1 846 . 83 VAL CB C 31.590 0.5 1 847 . 83 VAL HB H 2.410 0.02 1 848 . 83 VAL CG2 C 19.960 0.5 1 849 . 83 VAL HG2 H 0.830 0.02 2 850 . 83 VAL CG1 C 21.620 0.5 1 851 . 83 VAL HG1 H 0.790 0.02 2 852 . 84 GLY N N 108.930 0.5 1 853 . 84 GLY H H 7.490 0.02 1 854 . 84 GLY CA C 44.780 0.5 1 855 . 84 GLY HA3 H 3.720 0.02 1 856 . 84 GLY HA2 H 4.340 0.02 1 857 . 85 THR N N 104.230 0.5 1 858 . 85 THR H H 7.990 0.02 1 859 . 85 THR CA C 60.660 0.5 1 860 . 85 THR HA H 4.540 0.02 1 861 . 85 THR CB C 69.910 0.5 1 862 . 85 THR HB H 4.380 0.02 1 863 . 85 THR CG2 C 21.440 0.5 1 864 . 85 THR HG2 H 1.180 0.02 1 865 . 86 SER N N 116.510 0.5 1 866 . 86 SER H H 7.570 0.02 1 867 . 86 SER CA C 56.940 0.5 1 868 . 86 SER HA H 4.600 0.02 1 869 . 86 SER CB C 66.180 0.5 1 870 . 86 SER HB3 H 3.990 0.02 1 871 . 86 SER HB2 H 4.400 0.02 1 872 . 87 SER N N 117.160 0.5 1 873 . 87 SER H H 9.360 0.02 1 874 . 87 SER CA C 61.730 0.5 1 875 . 87 SER HA H 3.840 0.02 1 876 . 87 SER CB C 69.640 0.5 1 877 . 87 SER HB3 H 3.870 0.02 1 878 . 87 SER HB2 H 3.870 0.02 1 879 . 88 SER CA C 60.940 0.5 1 880 . 88 SER HA H 4.230 0.02 1 881 . 88 SER CB C 62.220 0.5 1 882 . 88 SER HB3 H 3.840 0.02 1 883 . 88 SER HB2 H 3.840 0.02 1 884 . 89 ALA N N 126.660 0.5 1 885 . 89 ALA H H 7.900 0.02 1 886 . 89 ALA CA C 55.340 0.5 1 887 . 89 ALA HA H 3.890 0.02 1 888 . 89 ALA CB C 17.860 0.5 1 889 . 89 ALA HB H 1.300 0.02 1 890 . 90 ALA N N 118.680 0.5 1 891 . 90 ALA H H 7.530 0.02 1 892 . 90 ALA CA C 55.380 0.5 1 893 . 90 ALA HA H 3.800 0.02 1 894 . 90 ALA CB C 18.130 0.5 1 895 . 90 ALA HB H 1.390 0.02 1 896 . 91 SER N N 112.410 0.5 1 897 . 91 SER H H 8.030 0.02 1 898 . 91 SER CA C 61.190 0.5 1 899 . 91 SER HA H 3.930 0.02 1 900 . 91 SER CB C 62.480 0.5 1 901 . 91 SER HB3 H 3.930 0.02 1 902 . 91 SER HB2 H 3.930 0.02 1 903 . 92 SER N N 118.660 0.5 1 904 . 92 SER H H 8.230 0.02 1 905 . 92 SER CA C 61.690 0.5 1 906 . 92 SER HA H 4.170 0.02 1 907 . 92 SER CB C 62.810 0.5 1 908 . 92 SER HB3 H 3.950 0.02 1 909 . 92 SER HB2 H 3.950 0.02 1 910 . 93 LEU N N 122.970 0.5 1 911 . 93 LEU H H 8.400 0.02 1 912 . 93 LEU CA C 58.040 0.5 1 913 . 93 LEU HA H 3.820 0.02 1 914 . 93 LEU CB C 42.150 0.5 1 915 . 93 LEU HB3 H 1.410 0.02 1 916 . 93 LEU HB2 H 2.180 0.02 1 917 . 93 LEU CG C 26.750 0.5 1 918 . 93 LEU HG H 1.800 0.02 1 919 . 93 LEU CD1 C 26.750 0.5 1 920 . 93 LEU HD1 H 1.000 0.02 1 921 . 93 LEU CD2 C 26.750 0.5 1 922 . 93 LEU HD2 H 1.000 0.02 1 923 . 94 LYS N N 119.770 0.5 1 924 . 94 LYS H H 7.320 0.02 1 925 . 94 LYS CA C 58.820 0.5 1 926 . 94 LYS HA H 2.020 0.02 1 927 . 94 LYS CB C 31.840 0.5 1 928 . 94 LYS HB3 H 1.220 0.02 1 929 . 94 LYS HB2 H 1.220 0.02 1 930 . 94 LYS CG C 24.830 0.5 1 931 . 94 LYS HG3 H 0.380 0.02 1 932 . 94 LYS HG2 H 0.670 0.02 1 933 . 94 LYS CD C 30.230 0.5 1 934 . 94 LYS HD3 H 1.040 0.02 1 935 . 94 LYS HD2 H 1.040 0.02 1 936 . 94 LYS CE C 42.200 0.5 1 937 . 94 LYS HE3 H 2.700 0.02 1 938 . 94 LYS HE2 H 2.900 0.02 1 939 . 95 LYS N N 116.490 0.5 1 940 . 95 LYS H H 7.430 0.02 1 941 . 95 LYS CA C 59.880 0.5 1 942 . 95 LYS HA H 3.780 0.02 1 943 . 95 LYS CB C 32.130 0.5 1 944 . 95 LYS HB3 H 1.840 0.02 1 945 . 95 LYS HB2 H 1.840 0.02 1 946 . 95 LYS CG C 25.190 0.5 1 947 . 95 LYS HG3 H 1.290 0.02 1 948 . 95 LYS HG2 H 1.290 0.02 1 949 . 95 LYS CD C 29.150 0.5 1 950 . 95 LYS HD3 H 1.590 0.02 1 951 . 95 LYS HD2 H 1.590 0.02 1 952 . 95 LYS CE C 42.110 0.5 1 953 . 95 LYS HE3 H 2.860 0.02 1 954 . 95 LYS HE2 H 2.860 0.02 1 955 . 96 GLN N N 116.280 0.5 1 956 . 96 GLN H H 8.170 0.02 1 957 . 96 GLN CA C 57.890 0.5 1 958 . 96 GLN HA H 4.620 0.02 1 959 . 96 GLN CB C 28.450 0.5 1 960 . 96 GLN HB3 H 1.860 0.02 1 961 . 96 GLN HB2 H 2.020 0.02 1 962 . 96 GLN CG C 32.020 0.5 1 963 . 96 GLN HG3 H 2.250 0.02 1 964 . 96 GLN HG2 H 2.570 0.02 1 965 . 97 TYR N N 121.930 0.5 1 966 . 97 TYR H H 8.960 0.02 1 967 . 97 TYR CA C 63.820 0.5 1 968 . 97 TYR HA H 3.700 0.02 1 969 . 97 TYR CB C 39.520 0.5 1 970 . 97 TYR HB3 H 3.010 0.02 1 971 . 97 TYR HB2 H 3.340 0.02 1 972 . 97 TYR HD1 H 6.950 0.02 1 973 . 97 TYR HE1 H 6.760 0.02 1 974 . 97 TYR HE2 H 6.760 0.02 1 975 . 97 TYR HD2 H 6.950 0.02 1 976 . 98 ILE N N 121.230 0.5 1 977 . 98 ILE H H 8.620 0.02 1 978 . 98 ILE CA C 66.500 0.5 1 979 . 98 ILE HA H 3.700 0.02 1 980 . 98 ILE CB C 39.190 0.5 1 981 . 98 ILE HB H 1.960 0.02 1 982 . 98 ILE CG1 C 30.650 0.5 1 983 . 98 ILE HG12 H 0.800 0.02 2 984 . 98 ILE CD1 C 13.800 0.5 1 985 . 98 ILE HD1 H 0.730 0.02 1 986 . 98 ILE CG2 C 17.210 0.5 1 987 . 98 ILE HG2 H 0.850 0.02 1 988 . 99 GLN N N 116.100 0.5 1 989 . 99 GLN H H 8.540 0.02 1 990 . 99 GLN CA C 58.810 0.5 1 991 . 99 GLN HA H 4.210 0.02 1 992 . 99 GLN CB C 29.500 0.5 1 993 . 99 GLN HB3 H 2.210 0.02 1 994 . 99 GLN HB2 H 2.210 0.02 1 995 . 99 GLN CG C 34.080 0.5 1 996 . 99 GLN HG3 H 2.530 0.02 1 997 . 99 GLN HG2 H 2.530 0.02 1 998 . 100 CYS N N 109.800 0.5 1 999 . 100 CYS H H 8.590 0.02 1 1000 . 100 CYS CA C 61.190 0.5 1 1001 . 100 CYS HA H 4.600 0.02 1 1002 . 100 CYS CB C 29.730 0.5 1 1003 . 100 CYS HB3 H 2.920 0.02 1 1004 . 100 CYS HB2 H 2.920 0.02 1 1005 . 101 LEU N N 119.790 0.5 1 1006 . 101 LEU H H 8.790 0.02 1 1007 . 101 LEU CA C 55.900 0.5 1 1008 . 101 LEU HA H 4.630 0.02 1 1009 . 101 LEU CB C 45.590 0.5 1 1010 . 101 LEU CG C 27.520 0.5 1 1011 . 101 LEU HG H 1.380 0.02 1 1012 . 101 LEU CD1 C 23.830 0.5 1 1013 . 101 LEU HD1 H 1.120 0.02 2 1014 . 101 LEU CD2 C 27.500 0.5 1 1015 . 101 LEU HD2 H 0.950 0.02 2 1016 . 102 TYR N N 120.210 0.5 1 1017 . 102 TYR H H 7.760 0.02 1 1018 . 102 TYR CA C 62.250 0.5 1 1019 . 102 TYR HA H 4.690 0.02 1 1020 . 102 TYR CB C 39.760 0.5 1 1021 . 102 TYR HB3 H 3.340 0.02 1 1022 . 102 TYR HB2 H 3.340 0.02 1 1023 . 102 TYR HD1 H 7.270 0.02 1 1024 . 102 TYR HE1 H 6.790 0.02 1 1025 . 102 TYR HE2 H 6.790 0.02 1 1026 . 102 TYR HD2 H 7.270 0.02 1 1027 . 103 ALA N N 121.890 0.5 1 1028 . 103 ALA H H 9.420 0.02 1 1029 . 103 ALA CA C 56.400 0.5 1 1030 . 103 ALA HA H 3.840 0.02 1 1031 . 103 ALA CB C 17.080 0.5 1 1032 . 103 ALA HB H 1.650 0.02 1 1033 . 104 PHE N N 121.700 0.5 1 1034 . 104 PHE H H 8.320 0.02 1 1035 . 104 PHE CA C 61.450 0.5 1 1036 . 104 PHE HA H 4.600 0.02 1 1037 . 104 PHE CB C 38.460 0.5 1 1038 . 104 PHE HB3 H 2.880 0.02 1 1039 . 104 PHE HB2 H 3.150 0.02 1 1040 . 105 GLU N N 120.180 0.5 1 1041 . 105 GLU H H 8.870 0.02 1 1042 . 105 GLU CA C 59.070 0.5 1 1043 . 105 GLU HA H 4.600 0.02 1 1044 . 105 GLU CB C 29.740 0.5 1 1045 . 105 GLU HB3 H 2.060 0.02 1 1046 . 105 GLU HB2 H 2.060 0.02 1 1047 . 105 GLU CG C 35.840 0.5 1 1048 . 105 GLU HG3 H 2.820 0.02 1 1049 . 105 GLU HG2 H 2.820 0.02 1 1050 . 106 CYS N N 114.570 0.5 1 1051 . 106 CYS H H 8.110 0.02 1 1052 . 106 CYS CA C 63.580 0.5 1 1053 . 106 CYS HA H 3.810 0.02 1 1054 . 106 CYS CB C 26.850 0.5 1 1055 . 106 CYS HB3 H 2.540 0.02 1 1056 . 106 CYS HB2 H 2.830 0.02 1 1057 . 107 LYS N N 120.190 0.5 1 1058 . 107 LYS H H 7.700 0.02 1 1059 . 107 LYS CA C 58.790 0.5 1 1060 . 107 LYS HA H 4.050 0.02 1 1061 . 107 LYS CB C 32.380 0.5 1 1062 . 107 LYS HB3 H 1.940 0.02 1 1063 . 107 LYS HB2 H 1.940 0.02 1 1064 . 107 LYS CG C 24.170 0.5 1 1065 . 107 LYS HG3 H 1.220 0.02 1 1066 . 107 LYS HG2 H 1.370 0.02 1 1067 . 107 LYS CD C 28.530 0.5 1 1068 . 107 LYS HD3 H 1.510 0.02 1 1069 . 107 LYS HD2 H 1.670 0.02 1 1070 . 107 LYS CE C 42.060 0.5 1 1071 . 107 LYS HE3 H 2.860 0.02 1 1072 . 107 LYS HE2 H 2.860 0.02 1 1073 . 108 ILE N N 117.410 0.5 1 1074 . 108 ILE H H 8.680 0.02 1 1075 . 108 ILE CA C 62.510 0.5 1 1076 . 108 ILE HA H 3.700 0.02 1 1077 . 108 ILE CB C 36.840 0.5 1 1078 . 108 ILE HB H 1.490 0.02 1 1079 . 108 ILE CG1 C 26.430 0.5 1 1080 . 108 ILE HG13 H 0.330 0.02 1 1081 . 108 ILE HG12 H 0.490 0.02 1 1082 . 108 ILE CD1 C 12.300 0.5 1 1083 . 108 ILE HD1 H 0.180 0.02 1 1084 . 108 ILE CG2 C 17.470 0.5 1 1085 . 108 ILE HG2 H 0.340 0.02 1 1086 . 109 GLU N N 115.380 0.5 1 1087 . 109 GLU H H 8.430 0.02 1 1088 . 109 GLU CA C 56.660 0.5 1 1089 . 109 GLU HA H 4.500 0.02 1 1090 . 109 GLU CB C 28.850 0.5 1 1091 . 109 GLU HB3 H 2.450 0.02 1 1092 . 109 GLU HB2 H 2.450 0.02 1 1093 . 109 GLU CG C 34.670 0.5 1 1094 . 109 GLU HG3 H 2.660 0.02 1 1095 . 109 GLU HG2 H 2.660 0.02 1 1096 . 110 ARG N N 113.030 0.5 1 1097 . 110 ARG H H 6.700 0.02 1 1098 . 110 ARG CA C 55.880 0.5 1 1099 . 110 ARG HA H 4.620 0.02 1 1100 . 110 ARG CB C 33.190 0.5 1 1101 . 110 ARG HB3 H 1.870 0.02 1 1102 . 110 ARG HB2 H 1.950 0.02 1 1103 . 110 ARG CG C 28.290 0.5 1 1104 . 110 ARG HG3 H 1.510 0.02 1 1105 . 110 ARG HG2 H 1.510 0.02 1 1106 . 110 ARG CD C 42.830 0.5 1 1107 . 110 ARG HD3 H 3.110 0.02 1 1108 . 110 ARG HD2 H 3.370 0.02 1 1109 . 111 GLY N N 110.290 0.5 1 1110 . 111 GLY H H 7.680 0.02 1 1111 . 111 GLY CA C 46.900 0.5 1 1112 . 111 GLY HA3 H 3.930 0.02 1 1113 . 111 GLY HA2 H 3.930 0.02 1 1114 . 112 GLU N N 121.260 0.5 1 1115 . 112 GLU H H 7.670 0.02 1 1116 . 112 GLU CA C 55.140 0.5 1 1117 . 112 GLU HA H 4.170 0.02 1 1118 . 112 GLU CB C 31.090 0.5 1 1119 . 112 GLU HB3 H 1.670 0.02 1 1120 . 112 GLU HB2 H 1.670 0.02 1 1121 . 112 GLU CG C 35.700 0.5 1 1122 . 112 GLU HG3 H 2.080 0.02 1 1123 . 112 GLU HG2 H 2.080 0.02 1 1124 . 113 ASP N N 122.760 0.5 1 1125 . 113 ASP H H 7.990 0.02 1 1126 . 113 ASP CA C 51.680 0.5 1 1127 . 113 ASP HA H 4.220 0.02 1 1128 . 113 ASP CB C 42.440 0.5 1 1129 . 113 ASP HB3 H 2.400 0.02 1 1130 . 113 ASP HB2 H 2.710 0.02 1 1131 . 116 PRO CA C 63.820 0.5 1 1132 . 116 PRO HA H 4.380 0.02 1 1133 . 116 PRO CB C 32.130 0.5 1 1134 . 116 PRO HB3 H 2.330 0.02 1 1135 . 116 PRO HB2 H 2.330 0.02 1 1136 . 116 PRO CG C 27.330 0.5 1 1137 . 116 PRO HG3 H 2.040 0.02 1 1138 . 116 PRO HG2 H 2.040 0.02 1 1139 . 116 PRO CD C 50.330 0.5 1 1140 . 116 PRO HD3 H 3.620 0.02 1 1141 . 116 PRO HD2 H 3.760 0.02 1 1142 . 117 ASP N N 117.180 0.5 1 1143 . 117 ASP H H 8.360 0.02 1 1144 . 117 ASP CA C 54.820 0.5 1 1145 . 117 ASP HA H 4.600 0.02 1 1146 . 117 ASP CB C 40.600 0.5 1 1147 . 117 ASP HB3 H 2.680 0.02 1 1148 . 117 ASP HB2 H 2.680 0.02 1 1149 . 118 ILE N N 120.380 0.5 1 1150 . 118 ILE H H 7.670 0.02 1 1151 . 118 ILE CA C 62.500 0.5 1 1152 . 118 ILE HA H 3.950 0.02 1 1153 . 118 ILE CB C 39.240 0.5 1 1154 . 118 ILE HB H 1.710 0.02 1 1155 . 118 ILE CG1 C 27.360 0.5 1 1156 . 118 ILE HG12 H 1.060 0.02 2 1157 . 118 ILE CD1 C 12.970 0.5 1 1158 . 118 ILE HD1 H 0.690 0.02 1 1159 . 118 ILE CG2 C 17.200 0.5 1 1160 . 118 ILE HG2 H 0.520 0.02 1 1161 . 119 PHE N N 120.020 0.5 1 1162 . 119 PHE H H 7.830 0.02 1 1163 . 119 PHE CA C 57.780 0.5 1 1164 . 119 PHE HA H 4.520 0.02 1 1165 . 119 PHE CB C 39.520 0.5 1 1166 . 119 PHE HB3 H 2.860 0.02 1 1167 . 119 PHE HB2 H 3.130 0.02 1 1168 . 119 PHE HD1 H 7.220 0.02 1 1169 . 119 PHE HE1 H 6.770 0.02 1 1170 . 119 PHE HZ H 6.510 0.02 1 1171 . 119 PHE HE2 H 6.770 0.02 1 1172 . 119 PHE HD2 H 7.220 0.02 1 1173 . 120 ALA N N 123.760 0.5 1 1174 . 120 ALA H H 7.890 0.02 1 1175 . 120 ALA CA C 52.500 0.5 1 1176 . 120 ALA HA H 4.150 0.02 1 1177 . 120 ALA CB C 19.210 0.5 1 1178 . 120 ALA HB H 1.240 0.02 1 stop_ save_