data_4386 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; HIGH-RESOLUTION SOLUTION STRUCTURE OF FREE RGS4 BY NMR ; _BMRB_accession_number 4386 _BMRB_flat_file_name bmr4386.str _Entry_type original _Submission_date 1999-09-03 _Accession_date 1999-09-03 _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 Moy F. J. . 2 Chanda P. K. . 3 Cockett M. I. . 4 Edris W. . . 5 Jones P. G. . 6 Mason K. . . 7 Semus S. . . 8 Powers R. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 932 "13C chemical shifts" 666 "15N chemical shifts" 159 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-07-27 original author . stop_ _Original_release_date 2001-07-27 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR Structure of Free RGS4 Reveals an Induced Conformational Change upon Binding G-alpha ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 10852703 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Moy F. J. . 2 Chanda P. K. . 3 Cockett M. I. . 4 Edris W. . . 5 Jones P. G. . 6 Mason K. . . 7 Semus S. . . 8 Powers R. . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 39 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7063 _Page_last 7073 _Year 2000 _Details . loop_ _Keyword 4-helix bundle 'free RGS4 NMR Structure' stop_ save_ ################################## # Molecular system description # ################################## save_system_RGS4 _Saveframe_category molecular_system _Mol_system_name 'REGULATOR OF G-PROTEIN SIGNALING 4' _Abbreviation_common RGS4 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'REGULATOR OF G-PROTEIN SIGNALING 4' $RGS4 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_RGS4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'REGULATOR OF G-PROTEIN SIGNALING 4' _Abbreviation_common RGS4 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 166 _Mol_residue_sequence ; MRGSVSQEEVKKWAESLENL INHECGLAAFKAFLKSEYSE ENIDFWISCEEYKKIKSPSK LSPKAKKIYNEFISVQATKE VNLDSCTREETSRNMLEPTI TCFDEAQKKIFNLMEKDSYR RFLKSRFYLDLTNPSSCGAE KQKGAKSSADCTSLVPQCAH HHHHHP ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ARG 3 GLY 4 SER 5 VAL 6 SER 7 GLN 8 GLU 9 GLU 10 VAL 11 LYS 12 LYS 13 TRP 14 ALA 15 GLU 16 SER 17 LEU 18 GLU 19 ASN 20 LEU 21 ILE 22 ASN 23 HIS 24 GLU 25 CYS 26 GLY 27 LEU 28 ALA 29 ALA 30 PHE 31 LYS 32 ALA 33 PHE 34 LEU 35 LYS 36 SER 37 GLU 38 TYR 39 SER 40 GLU 41 GLU 42 ASN 43 ILE 44 ASP 45 PHE 46 TRP 47 ILE 48 SER 49 CYS 50 GLU 51 GLU 52 TYR 53 LYS 54 LYS 55 ILE 56 LYS 57 SER 58 PRO 59 SER 60 LYS 61 LEU 62 SER 63 PRO 64 LYS 65 ALA 66 LYS 67 LYS 68 ILE 69 TYR 70 ASN 71 GLU 72 PHE 73 ILE 74 SER 75 VAL 76 GLN 77 ALA 78 THR 79 LYS 80 GLU 81 VAL 82 ASN 83 LEU 84 ASP 85 SER 86 CYS 87 THR 88 ARG 89 GLU 90 GLU 91 THR 92 SER 93 ARG 94 ASN 95 MET 96 LEU 97 GLU 98 PRO 99 THR 100 ILE 101 THR 102 CYS 103 PHE 104 ASP 105 GLU 106 ALA 107 GLN 108 LYS 109 LYS 110 ILE 111 PHE 112 ASN 113 LEU 114 MET 115 GLU 116 LYS 117 ASP 118 SER 119 TYR 120 ARG 121 ARG 122 PHE 123 LEU 124 LYS 125 SER 126 ARG 127 PHE 128 TYR 129 LEU 130 ASP 131 LEU 132 THR 133 ASN 134 PRO 135 SER 136 SER 137 CYS 138 GLY 139 ALA 140 GLU 141 LYS 142 GLN 143 LYS 144 GLY 145 ALA 146 LYS 147 SER 148 SER 149 ALA 150 ASP 151 CYS 152 THR 153 SER 154 LEU 155 VAL 156 PRO 157 GLN 158 CYS 159 ALA 160 HIS 161 HIS 162 HIS 163 HIS 164 HIS 165 HIS 166 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-14 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 1AGR "Complex Of Alf4-Activated Gi-Alpha-1 With Rgs4" 93.37 205 100.00 100.00 2.98e-107 PDB 1EZT "High-Resolution Solution Structure Of Free Rgs4 By Nmr" 100.00 166 100.00 100.00 1.17e-118 PDB 1EZY "High-Resolution Solution Structure Of Free Rgs4 By Nmr" 100.00 166 100.00 100.00 1.17e-118 DBJ BAA20400 "RGS4 [Mus musculus]" 93.37 205 97.42 99.35 1.60e-104 DBJ BAC27009 "unnamed protein product [Mus musculus]" 93.37 205 98.06 99.35 7.88e-105 DBJ BAC30249 "unnamed protein product [Mus musculus]" 93.37 205 98.06 99.35 7.88e-105 DBJ BAE01800 "unnamed protein product [Macaca fascicularis]" 93.37 205 98.06 98.71 8.32e-105 DBJ BAG35182 "unnamed protein product [Homo sapiens]" 93.37 205 98.06 98.71 8.32e-105 EMBL CAH92413 "hypothetical protein [Pongo abelii]" 93.37 205 97.42 98.71 2.67e-104 GB AAC50395 "RGP4 [Homo sapiens]" 93.37 205 98.06 98.71 8.32e-105 GB AAC52440 "RGP4 [Rattus norvegicus]" 93.37 205 100.00 100.00 2.98e-107 GB AAD12065 "regulator of G-protein signaling 4 [Rattus norvegicus]" 93.37 205 100.00 100.00 2.98e-107 GB AAH00737 "RGS4 protein [Homo sapiens]" 93.37 205 98.06 98.71 8.32e-105 GB AAH03882 "Regulator of G-protein signaling 4 [Mus musculus]" 93.37 205 98.06 99.35 7.88e-105 PRF 2206475B "G protein signaling regulator" 93.37 205 100.00 100.00 2.98e-107 PRF 2206475C "G protein signaling regulator" 93.37 205 98.06 98.71 8.32e-105 REF NP_001095915 "regulator of G-protein signaling 4 isoform 1 [Homo sapiens]" 93.37 302 98.06 98.71 2.27e-104 REF NP_001106851 "regulator of G-protein signaling 4 isoform 3 [Homo sapiens]" 93.37 187 98.06 98.71 3.29e-105 REF NP_005604 "regulator of G-protein signaling 4 isoform 2 [Homo sapiens]" 93.37 205 98.06 98.71 8.32e-105 REF NP_033088 "regulator of G-protein signaling 4 [Mus musculus]" 93.37 205 98.06 99.35 7.88e-105 REF NP_058910 "regulator of G-protein signaling 4 [Rattus norvegicus]" 93.37 205 100.00 100.00 2.98e-107 SP O08899 "RecName: Full=Regulator of G-protein signaling 4; Short=RGS4" 93.37 205 97.42 99.35 1.60e-104 SP P49798 "RecName: Full=Regulator of G-protein signaling 4; Short=RGP4; Short=RGS4" 93.37 205 98.06 98.71 8.32e-105 SP P49799 "RecName: Full=Regulator of G-protein signaling 4; Short=RGP4; Short=RGS4" 93.37 205 100.00 100.00 2.98e-107 SP Q4R525 "RecName: Full=Regulator of G-protein signaling 4; Short=RGS4" 93.37 205 98.06 98.71 8.32e-105 SP Q5R747 "RecName: Full=Regulator of G-protein signaling 4; Short=RGS4" 93.37 205 97.42 98.71 2.67e-104 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $RGS4 'Norway rat' 10116 Eukaryota Metazoa rattus norvegicus 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 $RGS4 'recombinant technology' 'E. coli' Escherichia coli . PRGS4 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 $RGS4 1 mM '[U-15N; U-13C]' 'phosphate buffer' 50 mM . NaN3 2 mM . DTT 5 mM [U-2H] H2O 90 % . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RGS4 1 mM '[U-15N; U-13C]' 'phosphate buffer' 50 mM . NaN3 2 mM . DTT 5 mM [U-2H] D2O 100 % . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $RGS4 1 mM [U-15N] 'phosphate buffer' 50 mM . NaN3 2 mM . DTT 5 mM [U-2H] H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.84 loop_ _Task 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 1.7 loop_ _Task processing stop_ _Details . save_ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 2.0 loop_ _Task collection stop_ _Details . save_ save_PIPP _Saveframe_category software _Name PIPP _Version 4.8.2 loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_HNHA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.0 . n/a temperature 308 . 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 . C 13 . . . . . . . . . H 1 . . . . . . . . . N 15 . . . . . . . . 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'REGULATOR OF G-PROTEIN SIGNALING 4' _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 . 1 MET CA C 55.90 . . 2 . 1 MET HA H 4.30 . . 3 . 1 MET CB C 29.40 . . 4 . 1 MET HB2 H 2.10 . . 5 . 1 MET HB3 H 2.00 . . 6 . 1 MET CG C 33.90 . . 7 . 1 MET HG2 H 2.38 . . 8 . 1 MET HG3 H 2.38 . . 9 . 1 MET C C 176.1 . . 10 . 2 ARG N N 123.00 . . 11 . 2 ARG H H 8.34 . . 12 . 2 ARG CA C 56.70 . . 13 . 2 ARG HA H 4.29 . . 14 . 2 ARG CB C 33.00 . . 15 . 2 ARG HB2 H 1.84 . . 16 . 2 ARG HB3 H 1.77 . . 17 . 2 ARG CG C 24.80 . . 18 . 2 ARG HG2 H 1.45 . . 19 . 2 ARG HG3 H 1.45 . . 20 . 2 ARG CD C 29.20 . . 21 . 2 ARG HD2 H 1.71 . . 22 . 2 ARG HD3 H 1.71 . . 23 . 2 ARG NE N 42.20 . . 24 . 2 ARG HE H 3.00 . . 25 . 2 ARG C C 177.2 . . 26 . 3 GLY N N 110.40 . . 27 . 3 GLY H H 8.40 . . 28 . 3 GLY CA C 45.30 . . 29 . 3 GLY HA2 H 4.00 . . 30 . 3 GLY HA3 H 4.00 . . 31 . 3 GLY C C 173.7 . . 32 . 4 SER N N 115.70 . . 33 . 4 SER H H 8.23 . . 34 . 4 SER CA C 58.10 . . 35 . 4 SER HA H 4.59 . . 36 . 4 SER CB C 64.20 . . 37 . 4 SER HB2 H 3.90 . . 38 . 4 SER HB3 H 3.90 . . 39 . 4 SER C C 174.0 . . 40 . 5 VAL N N 121.60 . . 41 . 5 VAL H H 8.20 . . 42 . 5 VAL CA C 61.20 . . 43 . 5 VAL HA H 4.38 . . 44 . 5 VAL CB C 33.60 . . 45 . 5 VAL HB H 1.99 . . 46 . 5 VAL CG1 C 21.70 . . 47 . 5 VAL HG1 H 0.98 . . 48 . 5 VAL CG2 C 21.90 . . 49 . 5 VAL HG2 H 0.89 . . 50 . 5 VAL C C 174.9 . . 51 . 6 SER N N 122.30 . . 52 . 6 SER H H 8.56 . . 53 . 6 SER CA C 57.50 . . 54 . 6 SER HA H 4.51 . . 55 . 6 SER CB C 65.30 . . 56 . 6 SER HB3 H 4.33 . . 57 . 6 SER HB2 H 4.02 . . 58 . 6 SER C C 175.1 . . 59 . 7 GLN N N 121.50 . . 60 . 7 GLN H H 8.95 . . 61 . 7 GLN CA C 58.50 . . 62 . 7 GLN HA H 3.80 . . 63 . 7 GLN CB C 28.30 . . 64 . 7 GLN HB2 H 2.02 . . 65 . 7 GLN HB3 H 2.02 . . 66 . 7 GLN CG C 34.30 . . 67 . 7 GLN HG2 H 2.39 . . 68 . 7 GLN HG3 H 2.39 . . 69 . 7 GLN C C 178.2 . . 70 . 8 GLU N N 118.90 . . 71 . 8 GLU H H 8.48 . . 72 . 8 GLU CA C 59.70 . . 73 . 8 GLU HA H 3.85 . . 74 . 8 GLU CB C 29.10 . . 75 . 8 GLU HB3 H 2.01 . . 76 . 8 GLU HB2 H 1.94 . . 77 . 8 GLU CG C 36.60 . . 78 . 8 GLU HG2 H 2.29 . . 79 . 8 GLU HG3 H 2.29 . . 80 . 8 GLU C C 178.8 . . 81 . 9 GLU N N 120.50 . . 82 . 9 GLU H H 7.43 . . 83 . 9 GLU CA C 58.90 . . 84 . 9 GLU HA H 3.77 . . 85 . 9 GLU CB C 29.40 . . 86 . 9 GLU HB3 H 2.04 . . 87 . 9 GLU HB2 H 1.72 . . 88 . 9 GLU CG C 36.40 . . 89 . 9 GLU HG2 H 2.23 . . 90 . 9 GLU HG3 H 2.23 . . 91 . 9 GLU C C 177.0 . . 92 . 10 VAL N N 116.80 . . 93 . 10 VAL H H 7.16 . . 94 . 10 VAL CA C 65.00 . . 95 . 10 VAL HA H 1.84 . . 96 . 10 VAL CB C 31.40 . . 97 . 10 VAL HB H 1.54 . . 98 . 10 VAL CG1 C 21.70 . . 99 . 10 VAL HG1 H 0.36 . . 100 . 10 VAL CG2 C 22.60 . . 101 . 10 VAL HG2 H 0.34 . . 102 . 10 VAL C C 180.8 . . 103 . 11 LYS N N 122.00 . . 104 . 11 LYS H H 7.86 . . 105 . 11 LYS CA C 59.90 . . 106 . 11 LYS HA H 3.92 . . 107 . 11 LYS CB C 32.10 . . 108 . 11 LYS HB2 H 1.82 . . 109 . 11 LYS HB3 H 1.82 . . 110 . 11 LYS CG C 25.40 . . 111 . 11 LYS HG2 H 1.52 . . 112 . 11 LYS HG3 H 1.37 . . 113 . 11 LYS CD C 29.40 . . 114 . 11 LYS HD2 H 1.62 . . 115 . 11 LYS HD3 H 1.62 . . 116 . 11 LYS CE C 42.10 . . 117 . 11 LYS HE3 H 2.91 . . 118 . 11 LYS HE2 H 2.79 . . 119 . 11 LYS C C 179.6 . . 120 . 12 LYS N N 120.00 . . 121 . 12 LYS H H 7.39 . . 122 . 12 LYS CA C 59.10 . . 123 . 12 LYS HA H 4.09 . . 124 . 12 LYS CB C 31.70 . . 125 . 12 LYS HB3 H 2.12 . . 126 . 12 LYS HB2 H 1.93 . . 127 . 12 LYS CG C 25.40 . . 128 . 12 LYS HG2 H 1.52 . . 129 . 12 LYS HG3 H 1.45 . . 130 . 12 LYS CD C 29.20 . . 131 . 12 LYS HD2 H 1.68 . . 132 . 12 LYS HD3 H 1.68 . . 133 . 12 LYS CE C 42.00 . . 134 . 12 LYS HE3 H 2.99 . . 135 . 12 LYS HE2 H 2.99 . . 136 . 12 LYS C C 180.4 . . 137 . 13 TRP N N 120.70 . . 138 . 13 TRP H H 7.84 . . 139 . 13 TRP CA C 57.20 . . 140 . 13 TRP HA H 4.63 . . 141 . 13 TRP CB C 29.80 . . 142 . 13 TRP HB2 H 3.46 . . 143 . 13 TRP HB3 H 3.46 . . 144 . 13 TRP CD1 C 126.4 . . 145 . 13 TRP HD1 H 6.67 . . 146 . 13 TRP NE1 N 129.3 . . 147 . 13 TRP HE1 H 9.69 . . 148 . 13 TRP CZ2 C 113.9 . . 149 . 13 TRP HZ2 H 6.25 . . 150 . 13 TRP CH2 C 124.0 . . 151 . 13 TRP HH2 H 6.81 . . 152 . 13 TRP CZ3 C 121.3 . . 153 . 13 TRP HZ3 H 7.18 . . 154 . 13 TRP CE3 C 117.5 . . 155 . 13 TRP HE3 H 6.88 . . 156 . 13 TRP C C 176.7 . . 157 . 14 ALA N N 117.50 . . 158 . 14 ALA H H 7.48 . . 159 . 14 ALA CA C 52.30 . . 160 . 14 ALA HA H 4.36 . . 161 . 14 ALA CB C 18.60 . . 162 . 14 ALA HB H 1.52 . . 163 . 14 ALA C C 176.9 . . 164 . 15 GLU N N 117.50 . . 165 . 15 GLU H H 7.80 . . 166 . 15 GLU CA C 57.60 . . 167 . 15 GLU HA H 4.29 . . 168 . 15 GLU CB C 30.90 . . 169 . 15 GLU HB2 H 2.16 . . 170 . 15 GLU HB3 H 2.16 . . 171 . 15 GLU CG C 36.60 . . 172 . 15 GLU HG2 H 2.48 . . 173 . 15 GLU HG3 H 2.25 . . 174 . 15 GLU C C 177.1 . . 175 . 16 SER N N 111.60 . . 176 . 16 SER H H 7.02 . . 177 . 16 SER CA C 57.50 . . 178 . 16 SER HA H 4.50 . . 179 . 16 SER CB C 65.00 . . 180 . 16 SER HB3 H 4.22 . . 181 . 16 SER HB2 H 3.93 . . 182 . 16 SER C C 173.6 . . 183 . 17 LEU N N 125.40 . . 184 . 17 LEU H H 8.36 . . 185 . 17 LEU CA C 57.10 . . 186 . 17 LEU HA H 3.17 . . 187 . 17 LEU CB C 39.50 . . 188 . 17 LEU HB2 H 0.97 . . 189 . 17 LEU CG C 26.20 . . 190 . 17 LEU HG H 0.65 . . 191 . 17 LEU CD2 C 25.90 . . 192 . 17 LEU CD1 C 23.90 . . 193 . 17 LEU C C 177.5 . . 194 . 18 GLU N N 117.20 . . 195 . 18 GLU H H 8.68 . . 196 . 18 GLU CA C 60.10 . . 197 . 18 GLU HA H 3.63 . . 198 . 18 GLU CB C 29.30 . . 199 . 18 GLU HB3 H 1.98 . . 200 . 18 GLU HB2 H 1.91 . . 201 . 18 GLU CG C 36.50 . . 202 . 18 GLU HG2 H 2.19 . . 203 . 18 GLU HG3 H 2.19 . . 204 . 18 GLU C C 177.7 . . 205 . 19 ASN N N 116.00 . . 206 . 19 ASN H H 7.53 . . 207 . 19 ASN CA C 55.30 . . 208 . 19 ASN HA H 4.37 . . 209 . 19 ASN CB C 38.40 . . 210 . 19 ASN HB3 H 3.20 . . 211 . 19 ASN HB2 H 2.78 . . 212 . 19 ASN C C 176.9 . . 213 . 20 LEU N N 119.50 . . 214 . 20 LEU H H 7.01 . . 215 . 20 LEU CA C 58.20 . . 216 . 20 LEU HA H 3.50 . . 217 . 20 LEU CB C 41.80 . . 218 . 20 LEU HB2 H 1.63 . . 219 . 20 LEU HB3 H 1.79 . . 220 . 20 LEU CG C 24.7 . . 221 . 20 LEU HG H 0.52 . . 222 . 20 LEU CD2 C 26.9 . . 223 . 20 LEU CD1 C 24.9 . . 224 . 20 LEU HD1 H 0.33 . . 225 . 20 LEU C C 176.4 . . 226 . 21 ILE N N 105.60 . . 227 . 21 ILE H H 7.37 . . 228 . 21 ILE CA C 63.30 . . 229 . 21 ILE HA H 3.65 . . 230 . 21 ILE CB C 37.10 . . 231 . 21 ILE HB H 1.61 . . 232 . 21 ILE HG12 H 0.70 . . 233 . 21 ILE HG13 H 0.81 . . 234 . 21 ILE CG2 C 19.2 . . 235 . 21 ILE HG2 H 0.33 . . 236 . 21 ILE CD1 C 12.3 . . 237 . 21 ILE C C 175.1 . . 238 . 22 ASN N N 115.70 . . 239 . 22 ASN H H 7.10 . . 240 . 22 ASN CA C 53.90 . . 241 . 22 ASN HA H 4.76 . . 242 . 22 ASN CB C 39.50 . . 243 . 22 ASN HB2 H 2.88 . . 244 . 22 ASN HB3 H 2.88 . . 245 . 22 ASN C C 173.8 . . 246 . 23 HIS N N 121.60 . . 247 . 23 HIS H H 7.32 . . 248 . 23 HIS CA C 56.40 . . 249 . 23 HIS HA H 4.71 . . 250 . 23 HIS CB C 33.90 . . 251 . 23 HIS HB3 H 3.31 . . 252 . 23 HIS HB2 H 2.98 . . 253 . 23 HIS CD2 C 119.4 . . 254 . 23 HIS HD2 H 7.56 . . 255 . 23 HIS CE1 C 138.6 . . 256 . 23 HIS HE1 H 8.15 . . 257 . 23 HIS C C 176.0 . . 258 . 24 GLU N N 128.20 . . 259 . 24 GLU H H 9.04 . . 260 . 24 GLU CA C 60.60 . . 261 . 24 GLU HA H 4.07 . . 262 . 24 GLU CB C 29.80 . . 263 . 24 GLU HB2 H 2.09 . . 264 . 24 GLU HB3 H 2.09 . . 265 . 24 GLU CG C 36.10 . . 266 . 24 GLU HG2 H 2.44 . . 267 . 24 GLU HG3 H 2.34 . . 268 . 24 GLU C C 179.5 . . 269 . 25 CYS N N 121.40 . . 270 . 25 CYS H H 10.57 . . 271 . 25 CYS CA C 61.80 . . 272 . 25 CYS HA H 4.46 . . 273 . 25 CYS CB C 27.30 . . 274 . 25 CYS HB2 H 3.37 . . 275 . 25 CYS HB3 H 3.37 . . 276 . 25 CYS C C 176.9 . . 277 . 26 GLY N N 114.10 . . 278 . 26 GLY H H 7.36 . . 279 . 26 GLY CA C 46.60 . . 280 . 26 GLY HA2 H 2.86 . . 281 . 26 GLY HA3 H 2.45 . . 282 . 27 LEU N N 122.80 . . 283 . 27 LEU H H 8.66 . . 284 . 27 LEU CA C 58.2 . . 285 . 27 LEU HA H 3.76 . . 286 . 27 LEU CB C 41.40 . . 287 . 27 LEU HB2 H 1.72 . . 288 . 27 LEU HB3 H 1.65 . . 289 . 27 LEU CG C 27.10 . . 290 . 27 LEU HG H 1.60 . . 291 . 27 LEU CD2 C 25.60 . . 292 . 27 LEU HD2 H 1.05 . . 293 . 27 LEU CD1 C 23.50 . . 294 . 27 LEU HD1 H 1.04 . . 295 . 27 LEU C C 178.3 . . 296 . 28 ALA N N 118.30 . . 297 . 28 ALA H H 7.29 . . 298 . 28 ALA CA C 55.30 . . 299 . 28 ALA HA H 4.06 . . 300 . 28 ALA CB C 18.40 . . 301 . 28 ALA HB H 1.60 . . 302 . 28 ALA C C 180.8 . . 303 . 29 ALA N N 122.80 . . 304 . 29 ALA H H 7.85 . . 305 . 29 ALA CA C 55.30 . . 306 . 29 ALA HA H 4.51 . . 307 . 29 ALA CB C 18.20 . . 308 . 29 ALA HB H 1.84 . . 309 . 29 ALA C C 178.9 . . 310 . 30 PHE N N 120.00 . . 311 . 30 PHE H H 8.51 . . 312 . 30 PHE CA C 59.10 . . 313 . 30 PHE HA H 3.94 . . 314 . 30 PHE CB C 39.50 . . 315 . 30 PHE HB2 H 2.62 . . 316 . 30 PHE HB3 H 2.38 . . 317 . 30 PHE HD1 H 6.34 . . 318 . 30 PHE HD2 H 6.34 . . 319 . 30 PHE C C 177.8 . . 320 . 31 LYS N N 118.90 . . 321 . 31 LYS H H 9.02 . . 322 . 31 LYS CA C 60.60 . . 323 . 31 LYS HA H 3.59 . . 324 . 31 LYS CB C 32.40 . . 325 . 31 LYS HB2 H 1.94 . . 326 . 31 LYS HB3 H 1.74 . . 327 . 31 LYS CG C 26.00 . . 328 . 31 LYS HG2 H 1.70 . . 329 . 31 LYS HG3 H 1.44 . . 330 . 31 LYS HD2 H 1.63 . . 331 . 31 LYS HD3 H 1.63 . . 332 . 31 LYS HE3 H 2.96 . . 333 . 31 LYS HE2 H 2.96 . . 334 . 32 ALA N N 121.60 . . 335 . 32 ALA H H 7.82 . . 336 . 32 ALA CA C 55.30 . . 337 . 32 ALA HA H 3.98 . . 338 . 32 ALA CB C 17.80 . . 339 . 32 ALA HB H 1.61 . . 340 . 33 PHE N N 121.50 . . 341 . 33 PHE H H 7.82 . . 342 . 33 PHE CA C 59.90 . . 343 . 33 PHE HA H 4.39 . . 344 . 33 PHE CB C 39.20 . . 345 . 33 PHE HB2 H 3.18 . . 346 . 33 PHE HB3 H 2.00 . . 347 . 33 PHE HD1 H 7.18 . . 348 . 33 PHE HD2 H 7.18 . . 349 . 33 PHE HE1 H 6.78 . . 350 . 33 PHE HE2 H 6.78 . . 351 . 33 PHE C C 177.8 . . 352 . 34 LEU N N 122.00 . . 353 . 34 LEU H H 8.57 . . 354 . 34 LEU CA C 57.60 . . 355 . 34 LEU HA H 3.34 . . 356 . 34 LEU CB C 40.20 . . 357 . 34 LEU HB2 H 0.88 . . 358 . 34 LEU HB3 H 0.88 . . 359 . 34 LEU CG C 26.2 . . 360 . 34 LEU HG H 1.01 . . 361 . 34 LEU CD1 C 26.30 . . 362 . 34 LEU HD1 H 0.19 . . 363 . 34 LEU CD2 C 21.8 . . 364 . 34 LEU HD2 H 0.57 . . 365 . 34 LEU C C 180.0 . . 366 . 35 LYS N N 120.90 . . 367 . 35 LYS H H 8.60 . . 368 . 35 LYS CA C 59.60 . . 369 . 35 LYS HA H 3.90 . . 370 . 35 LYS CB C 32.10 . . 371 . 35 LYS HB2 H 1.79 . . 372 . 35 LYS HB3 H 1.79 . . 373 . 35 LYS CG C 24.90 . . 374 . 35 LYS HG2 H 1.54 . . 375 . 35 LYS HG3 H 1.39 . . 376 . 35 LYS HE2 H 2.93 . . 377 . 35 LYS HE3 H 2.93 . . 378 . 35 LYS C C 180.1 . . 379 . 36 SER N N 116.70 . . 380 . 36 SER H H 7.43 . . 381 . 36 SER CA C 61.10 . . 382 . 36 SER HA H 4.09 . . 383 . 36 SER CB C 63.10 . . 384 . 36 SER HB3 H 4.04 . . 385 . 36 SER HB2 H 2.38 . . 386 . 36 SER C C 174.1 . . 387 . 37 GLU N N 118.00 . . 388 . 37 GLU H H 6.86 . . 389 . 37 GLU CA C 55.30 . . 390 . 37 GLU HA H 4.28 . . 391 . 37 GLU CB C 29.90 . . 392 . 37 GLU HB2 H 1.98 . . 393 . 37 GLU HB3 H 1.45 . . 394 . 37 GLU CG C 35.90 . . 395 . 37 GLU HG2 H 1.66 . . 396 . 37 GLU HG3 H 1.66 . . 397 . 37 GLU C C 175.3 . . 398 . 38 TYR N N 118.80 . . 399 . 38 TYR H H 7.60 . . 400 . 38 TYR CA C 58.70 . . 401 . 38 TYR HA H 4.37 . . 402 . 38 TYR CB C 35.50 . . 403 . 38 TYR HB2 H 3.27 . . 404 . 38 TYR HB3 H 3.09 . . 405 . 38 TYR CD1 C 133.4 . . 406 . 38 TYR CD2 C 133.4 . . 407 . 38 TYR HD2 H 7.04 . . 408 . 38 TYR CE1 C 118.2 . . 409 . 38 TYR CE2 C 118.2 . . 410 . 38 TYR HE1 H 6.84 . . 411 . 38 TYR HE2 H 6.84 . . 412 . 38 TYR C C 175.8 . . 413 . 39 SER N N 113.00 . . 414 . 39 SER H H 8.05 . . 415 . 39 SER CA C 57.00 . . 416 . 39 SER HA H 5.04 . . 417 . 39 SER CB C 64.50 . . 418 . 39 SER HB2 H 3.83 . . 419 . 39 SER HB3 H 3.71 . . 420 . 39 SER C C 175.5 . . 421 . 40 GLU N N 122.20 . . 422 . 40 GLU H H 9.07 . . 423 . 40 GLU CA C 58.20 . . 424 . 40 GLU HA H 3.86 . . 425 . 40 GLU CB C 30.20 . . 426 . 40 GLU HB3 H 1.96 . . 427 . 40 GLU HB2 H 1.75 . . 428 . 40 GLU CG C 36.90 . . 429 . 40 GLU HG2 H 2.20 . . 430 . 40 GLU HG3 H 2.20 . . 431 . 40 GLU C C 175.9 . . 432 . 41 GLU N N 122.30 . . 433 . 41 GLU H H 10.22 . . 434 . 41 GLU CA C 60.90 . . 435 . 41 GLU HA H 4.25 . . 436 . 41 GLU CB C 27.70 . . 437 . 41 GLU HB3 H 2.13 . . 438 . 41 GLU HB2 H 1.98 . . 439 . 41 GLU CG C 35.60 . . 440 . 41 GLU HG2 H 2.37 . . 441 . 41 GLU HG3 H 2.37 . . 442 . 41 GLU C C 177.2 . . 443 . 42 ASN N N 116.40 . . 444 . 42 ASN H H 7.67 . . 445 . 42 ASN CA C 56.70 . . 446 . 42 ASN HA H 4.52 . . 447 . 42 ASN CB C 38.80 . . 448 . 42 ASN HB2 H 2.68 . . 449 . 42 ASN HB3 H 2.68 . . 450 . 42 ASN C C 176.9 . . 451 . 43 ILE N N 117.60 . . 452 . 43 ILE H H 6.99 . . 453 . 43 ILE CA C 58.90 . . 454 . 43 ILE HA H 4.52 . . 455 . 43 ILE CB C 38.30 . . 456 . 43 ILE HB H 1.58 . . 457 . 43 ILE CG1 C 30.5 . . 458 . 43 ILE HG13 H 1.58 . . 459 . 43 ILE HG12 H 1.54 . . 460 . 43 ILE CG2 C 20.70 . . 461 . 43 ILE HG2 H 1.05 . . 462 . 43 ILE CD1 C 14.6 . . 463 . 43 ILE HD1 H 0.92 . . 464 . 43 ILE C C 176.2 . . 465 . 44 ASP N N 126.20 . . 466 . 44 ASP H H 8.38 . . 467 . 44 ASP CA C 57.60 . . 468 . 44 ASP HA H 4.59 . . 469 . 44 ASP CB C 39.10 . . 470 . 44 ASP HB2 H 2.85 . . 471 . 44 ASP HB3 H 2.85 . . 472 . 44 ASP C C 179.6 . . 473 . 45 PHE N N 123.80 . . 474 . 45 PHE H H 8.40 . . 475 . 45 PHE CA C 60.20 . . 476 . 45 PHE HA H 4.37 . . 477 . 45 PHE CB C 39.00 . . 478 . 45 PHE HB2 H 2.98 . . 479 . 45 PHE HB3 H 2.50 . . 480 . 45 PHE HD1 H 6.67 . . 481 . 45 PHE HD2 H 6.67 . . 482 . 45 PHE C C 176.5 . . 483 . 46 TRP N N 122.30 . . 484 . 46 TRP H H 7.98 . . 485 . 46 TRP CA C 64.90 . . 486 . 46 TRP HA H 4.39 . . 487 . 46 TRP CB C 29.90 . . 488 . 46 TRP HB2 H 3.78 . . 489 . 46 TRP HB3 H 3.21 . . 490 . 46 TRP NE1 N 130.7 . . 491 . 46 TRP HE1 H 10.68 . . 492 . 46 TRP CZ2 C 115.1 . . 493 . 46 TRP HZ2 H 7.25 . . 494 . 46 TRP CH2 C 125.8 . . 495 . 46 TRP HH2 H 7.01 . . 496 . 46 TRP CZ3 C 122.9 . . 497 . 46 TRP HZ3 H 7.01 . . 498 . 46 TRP CE3 C 119.9 . . 499 . 46 TRP HE3 H 7.35 . . 500 . 46 TRP C C 177.7 . . 501 . 47 ILE N N 118.20 . . 502 . 47 ILE H H 9.04 . . 503 . 47 ILE CA C 65.10 . . 504 . 47 ILE HA H 3.37 . . 505 . 47 ILE CB C 38.60 . . 506 . 47 ILE HB H 2.02 . . 507 . 47 ILE CG2 C 17.00 . . 508 . 47 ILE HG2 H 0.95 . . 509 . 47 ILE CD1 C 14.30 . . 510 . 47 ILE HD1 H 1.07 . . 511 . 47 ILE CG1 C 29.4 . . 512 . 47 ILE HG13 H 2.24 . . 513 . 47 ILE HG12 H 1.46 . . 514 . 47 ILE C C 178.4 . . 515 . 48 SER N N 117.40 . . 516 . 48 SER H H 7.91 . . 517 . 48 SER CA C 62.80 . . 518 . 48 SER HA H 4.22 . . 519 . 48 SER HB2 H 3.89 . . 520 . 48 SER HB3 H 3.67 . . 521 . 48 SER C C 176.6 . . 522 . 49 CYS N N 120.40 . . 523 . 49 CYS H H 7.53 . . 524 . 49 CYS CA C 64.00 . . 525 . 49 CYS HA H 3.90 . . 526 . 49 CYS HB2 H 3.61 . . 527 . 49 CYS HB3 H 3.61 . . 528 . 49 CYS C C 179.6 . . 529 . 50 GLU N N 120.10 . . 530 . 50 GLU H H 7.39 . . 531 . 50 GLU CA C 58.80 . . 532 . 50 GLU HA H 3.58 . . 533 . 50 GLU CB C 29.00 . . 534 . 50 GLU HB2 H 1.65 . . 535 . 50 GLU HB3 H 1.65 . . 536 . 50 GLU CG C 35.20 . . 537 . 50 GLU C C 179.1 . . 538 . 51 GLU N N 118.30 . . 539 . 51 GLU H H 7.93 . . 540 . 51 GLU CA C 59.00 . . 541 . 51 GLU HA H 3.84 . . 542 . 51 GLU CB C 29.70 . . 543 . 51 GLU HB3 H 2.21 . . 544 . 51 GLU HB2 H 1.95 . . 545 . 51 GLU CG C 36.30 . . 546 . 51 GLU HG2 H 2.15 . . 547 . 51 GLU HG3 H 2.15 . . 548 . 51 GLU C C 180.0 . . 549 . 52 TYR N N 123.00 . . 550 . 52 TYR H H 8.11 . . 551 . 52 TYR CA C 61.20 . . 552 . 52 TYR HA H 3.95 . . 553 . 52 TYR CB C 38.70 . . 554 . 52 TYR HB3 H 2.95 . . 555 . 52 TYR HB2 H 3.30 . . 556 . 52 TYR HD1 H 7.03 . . 557 . 52 TYR HD2 H 7.03 . . 558 . 52 TYR CE1 C 118.5 . . 559 . 52 TYR CE2 C 118.5 . . 560 . 52 TYR HE1 H 7.15 . . 561 . 52 TYR HE2 H 7.15 . . 562 . 52 TYR C C 175.6 . . 563 . 53 LYS N N 112.60 . . 564 . 53 LYS H H 7.43 . . 565 . 53 LYS CA C 58.20 . . 566 . 53 LYS HA H 3.89 . . 567 . 53 LYS CB C 32.20 . . 568 . 53 LYS HB2 H 1.86 . . 569 . 53 LYS HB3 H 1.76 . . 570 . 53 LYS HG2 H 1.54 . . 571 . 53 LYS HG3 H 1.39 . . 572 . 53 LYS C C 177.1 . . 573 . 54 LYS N N 117.50 . . 574 . 54 LYS H H 7.18 . . 575 . 54 LYS CA C 56.10 . . 576 . 54 LYS HA H 4.17 . . 577 . 54 LYS CB C 33.10 . . 578 . 54 LYS HB2 H 1.98 . . 579 . 54 LYS HB3 H 1.71 . . 580 . 54 LYS CG C 25.40 . . 581 . 54 LYS CD C 29.4 . . 582 . 54 LYS HD2 H 1.60 . . 583 . 54 LYS HD3 H 1.60 . . 584 . 54 LYS CE C 42.2 . . 585 . 54 LYS C C 176.9 . . 586 . 55 ILE N N 123.10 . . 587 . 55 ILE H H 7.39 . . 588 . 55 ILE CA C 64.00 . . 589 . 55 ILE HA H 3.58 . . 590 . 55 ILE CB C 37.20 . . 591 . 55 ILE HB H 1.74 . . 592 . 55 ILE CG2 C 19.40 . . 593 . 55 ILE HG2 H 0.75 . . 594 . 55 ILE CD1 C 14.5 . . 595 . 55 ILE HD1 H 0.91 . . 596 . 55 ILE C C 176.8 . . 597 . 56 LYS N N 126.50 . . 598 . 56 LYS H H 8.39 . . 599 . 56 LYS CA C 56.30 . . 600 . 56 LYS HA H 4.34 . . 601 . 56 LYS CB C 33.60 . . 602 . 56 LYS HB3 H 1.72 . . 603 . 56 LYS HB2 H 1.95 . . 604 . 56 LYS CG C 24.60 . . 605 . 56 LYS HG2 H 1.40 . . 606 . 56 LYS HG3 H 1.40 . . 607 . 56 LYS CD C 28.70 . . 608 . 56 LYS HD2 H 1.64 . . 609 . 56 LYS HD3 H 1.64 . . 610 . 56 LYS CE C 42.10 . . 611 . 56 LYS HE2 H 3.00 . . 612 . 56 LYS HE3 H 3.00 . . 613 . 56 LYS C C 176.7 . . 614 . 57 SER N N 116.20 . . 615 . 57 SER H H 7.35 . . 616 . 57 SER CA C 54.60 . . 617 . 57 SER HA H 4.98 . . 618 . 57 SER CB C 64.00 . . 619 . 57 SER HB2 H 3.79 . . 620 . 57 SER HB3 H 3.79 . . 621 . 58 PRO CA C 65.00 . . 622 . 58 PRO HA H 4.19 . . 623 . 58 PRO CB C 32.10 . . 624 . 58 PRO HB2 H 2.45 . . 625 . 58 PRO HB3 H 2.06 . . 626 . 58 PRO CG C 27.5 . . 627 . 58 PRO HG2 H 2.17 . . 628 . 58 PRO HG3 H 2.06 . . 629 . 58 PRO CD C 51.4 . . 630 . 58 PRO HD2 H 4.11 . . 631 . 58 PRO HD3 H 3.98 . . 632 . 58 PRO C C 178.8 . . 633 . 59 SER N N 112.30 . . 634 . 59 SER H H 8.15 . . 635 . 59 SER CA C 60.50 . . 636 . 59 SER HA H 4.32 . . 637 . 59 SER CB C 62.70 . . 638 . 59 SER HB2 H 3.90 . . 639 . 59 SER HB3 H 3.90 . . 640 . 59 SER C C 175.5 . . 641 . 60 LYS N N 119.70 . . 642 . 60 LYS H H 7.77 . . 643 . 60 LYS CA C 56.30 . . 644 . 60 LYS HA H 4.36 . . 645 . 60 LYS CB C 33.20 . . 646 . 60 LYS HB2 H 2.03 . . 647 . 60 LYS HB3 H 1.89 . . 648 . 60 LYS CG C 25.70 . . 649 . 60 LYS HG2 H 1.55 . . 650 . 60 LYS HG3 H 1.41 . . 651 . 60 LYS CD C 29.0 . . 652 . 60 LYS HD2 H 1.71 . . 653 . 60 LYS HD3 H 1.71 . . 654 . 60 LYS CE C 42.40 . . 655 . 60 LYS HE3 H 2.98 . . 656 . 60 LYS HE2 H 2.98 . . 657 . 60 LYS C C 177.6 . . 658 . 61 LEU N N 120.40 . . 659 . 61 LEU H H 7.49 . . 660 . 61 LEU CA C 58.70 . . 661 . 61 LEU HA H 4.12 . . 662 . 61 LEU CB C 41.30 . . 663 . 61 LEU HB3 H 1.82 . . 664 . 61 LEU HB2 H 1.71 . . 665 . 61 LEU CG C 26.80 . . 666 . 61 LEU HG H 1.67 . . 667 . 61 LEU CD2 C 25.9 . . 668 . 61 LEU HD2 H 0.74 . . 669 . 61 LEU CD1 C 23.2 . . 670 . 61 LEU HD1 H 0.35 . . 671 . 61 LEU C C 178.5 . . 672 . 62 SER N N 112.70 . . 673 . 62 SER H H 8.67 . . 674 . 62 SER CA C 64.00 . . 675 . 62 SER HA H 4.38 . . 676 . 62 SER CB C 60.80 . . 677 . 62 SER HB2 H 4.08 . . 678 . 62 SER HB3 H 4.08 . . 679 . 63 PRO CA C 66.00 . . 680 . 63 PRO HA H 4.39 . . 681 . 63 PRO CB C 30.80 . . 682 . 63 PRO HB2 H 2.42 . . 683 . 63 PRO HB3 H 1.95 . . 684 . 63 PRO CG C 28.2 . . 685 . 63 PRO HG2 H 2.21 . . 686 . 63 PRO HG3 H 2.13 . . 687 . 63 PRO CD C 49.7 . . 688 . 63 PRO HD2 H 3.75 . . 689 . 63 PRO HD3 H 3.75 . . 690 . 63 PRO C C 180.0 . . 691 . 64 LYS N N 118.00 . . 692 . 64 LYS H H 7.08 . . 693 . 64 LYS CA C 57.90 . . 694 . 64 LYS HA H 4.36 . . 695 . 64 LYS CB C 31.90 . . 696 . 64 LYS HB3 H 2.26 . . 697 . 64 LYS CD C 28.5 . . 698 . 64 LYS HD2 H 2.02 . . 699 . 64 LYS HD3 H 1.79 . . 700 . 64 LYS CE C 41.9 . . 701 . 64 LYS HE3 H 2.95 . . 702 . 64 LYS HE2 H 2.95 . . 703 . 64 LYS C C 178.0 . . 704 . 65 ALA N N 122.50 . . 705 . 65 ALA H H 9.23 . . 706 . 65 ALA CA C 55.50 . . 707 . 65 ALA HA H 4.19 . . 708 . 65 ALA CB C 17.70 . . 709 . 65 ALA HB H 1.76 . . 710 . 65 ALA C C 179.9 . . 711 . 66 LYS N N 116.90 . . 712 . 66 LYS H H 8.40 . . 713 . 66 LYS CA C 60.20 . . 714 . 66 LYS HA H 3.99 . . 715 . 66 LYS CB C 32.40 . . 716 . 66 LYS HB2 H 1.93 . . 717 . 66 LYS HB3 H 1.93 . . 718 . 66 LYS CG C 25.80 . . 719 . 66 LYS HG2 H 1.43 . . 720 . 66 LYS HG3 H 1.43 . . 721 . 66 LYS CD C 29.20 . . 722 . 66 LYS HD2 H 1.68 . . 723 . 66 LYS HD3 H 1.68 . . 724 . 66 LYS CE C 42.10 . . 725 . 66 LYS HE3 H 3.00 . . 726 . 66 LYS HE2 H 3.00 . . 727 . 66 LYS C C 178.4 . . 728 . 67 LYS N N 119.50 . . 729 . 67 LYS H H 7.52 . . 730 . 67 LYS CA C 59.90 . . 731 . 67 LYS HA H 4.14 . . 732 . 67 LYS CB C 32.70 . . 733 . 67 LYS HB2 H 2.09 . . 734 . 67 LYS HB3 H 2.09 . . 735 . 67 LYS CG C 25.20 . . 736 . 67 LYS HG2 H 1.66 . . 737 . 67 LYS HG3 H 1.52 . . 738 . 67 LYS C C 179.6 . . 739 . 68 ILE N N 120.90 . . 740 . 68 ILE H H 8.24 . . 741 . 68 ILE CA C 65.90 . . 742 . 68 ILE HA H 3.87 . . 743 . 68 ILE CB C 38.30 . . 744 . 68 ILE HB H 2.08 . . 745 . 68 ILE CG1 C 29.80 . . 746 . 68 ILE HG13 H 1.62 . . 747 . 68 ILE HG12 H 0.88 . . 748 . 68 ILE CG2 C 17.5 . . 749 . 68 ILE HG2 H 0.30 . . 750 . 68 ILE CD1 C 14.60 . . 751 . 68 ILE HD1 H 0.41 . . 752 . 68 ILE C C 178.4 . . 753 . 69 TYR N N 120.80 . . 754 . 69 TYR H H 9.15 . . 755 . 69 TYR CA C 62.40 . . 756 . 69 TYR HA H 3.99 . . 757 . 69 TYR CB C 39.50 . . 758 . 69 TYR HB3 H 3.52 . . 759 . 69 TYR HB2 H 3.26 . . 760 . 69 TYR CD1 C 113.4 . . 761 . 69 TYR CD2 C 113.4 . . 762 . 69 TYR HD1 H 7.07 . . 763 . 69 TYR HD2 H 7.07 . . 764 . 69 TYR CE1 C 117.9 . . 765 . 69 TYR CE2 C 117.9 . . 766 . 69 TYR HE1 H 6.78 . . 767 . 69 TYR HE2 H 6.78 . . 768 . 69 TYR C C 178.6 . . 769 . 70 ASN N N 117.50 . . 770 . 70 ASN H H 8.77 . . 771 . 70 ASN CA C 55.70 . . 772 . 70 ASN HA H 4.42 . . 773 . 70 ASN CB C 38.40 . . 774 . 70 ASN HB3 H 2.99 . . 775 . 70 ASN HB2 H 2.78 . . 776 . 70 ASN ND2 N 112.0 . . 777 . 70 ASN HD21 H 7.59 . . 778 . 70 ASN HD22 H 6.97 . . 779 . 70 ASN C C 176.0 . . 780 . 71 GLU N N 118.40 . . 781 . 71 GLU H H 7.88 . . 782 . 71 GLU CA C 58.80 . . 783 . 71 GLU HA H 4.00 . . 784 . 71 GLU CB C 30.60 . . 785 . 71 GLU HB2 H 1.76 . . 786 . 71 GLU HB3 H 1.37 . . 787 . 71 GLU CG C 35.90 . . 788 . 71 GLU HG2 H 1.80 . . 789 . 71 GLU HG3 H 1.09 . . 790 . 71 GLU C C 176.4 . . 791 . 72 PHE N N 110.40 . . 792 . 72 PHE H H 7.76 . . 793 . 72 PHE CA C 58.50 . . 794 . 72 PHE HA H 4.95 . . 795 . 72 PHE CB C 43.40 . . 796 . 72 PHE HB2 H 2.77 . . 797 . 72 PHE HB3 H 2.58 . . 798 . 72 PHE CD1 C 133.6 . . 799 . 72 PHE CD2 C 133.6 . . 800 . 72 PHE HD1 H 7.75 . . 801 . 72 PHE HD2 H 7.75 . . 802 . 72 PHE CE1 C 131.5 . . 803 . 72 PHE CE2 C 131.5 . . 804 . 72 PHE HE1 H 7.35 . . 805 . 72 PHE HE2 H 7.35 . . 806 . 72 PHE HZ H 7.11 . . 807 . 72 PHE C C 175.1 . . 808 . 73 ILE N N 116.50 . . 809 . 73 ILE H H 7.59 . . 810 . 73 ILE CA C 61.30 . . 811 . 73 ILE HA H 4.05 . . 812 . 73 ILE CB C 38.00 . . 813 . 73 ILE HB H 1.59 . . 814 . 73 ILE CG1 C 27.2 . . 815 . 73 ILE HG13 H 1.43 . . 816 . 73 ILE HG12 H 1.03 . . 817 . 73 ILE CG2 C 18.50 . . 818 . 73 ILE HG2 H 0.79 . . 819 . 73 ILE CD1 C 12.0 . . 820 . 73 ILE HD1 H 0.76 . . 821 . 73 ILE C C 175.3 . . 822 . 74 SER N N 113.40 . . 823 . 74 SER H H 7.43 . . 824 . 74 SER CA C 57.70 . . 825 . 74 SER HA H 3.89 . . 826 . 74 SER CB C 64.10 . . 827 . 74 SER HB2 H 3.44 . . 828 . 74 SER HB3 H 3.89 . . 829 . 74 SER C C 174.6 . . 830 . 75 VAL N N 120.60 . . 831 . 75 VAL H H 8.20 . . 832 . 75 VAL CA C 64.40 . . 833 . 75 VAL HA H 3.99 . . 834 . 75 VAL CB C 31.30 . . 835 . 75 VAL HB H 2.18 . . 836 . 75 VAL CG2 C 20.30 . . 837 . 75 VAL HG2 H 1.02 . . 838 . 75 VAL CG1 C 21.10 . . 839 . 75 VAL HG1 H 1.02 . . 840 . 75 VAL C C 177.1 . . 841 . 76 GLN N N 118.60 . . 842 . 76 GLN H H 8.10 . . 843 . 76 GLN CA C 55.70 . . 844 . 76 GLN HA H 4.29 . . 845 . 76 GLN CB C 28.20 . . 846 . 76 GLN HB2 H 2.23 . . 847 . 76 GLN HB3 H 1.87 . . 848 . 76 GLN CG C 34.60 . . 849 . 76 GLN HG2 H 2.30 . . 850 . 76 GLN HG3 H 2.30 . . 851 . 76 GLN C C 175.4 . . 852 . 77 ALA N N 124.10 . . 853 . 77 ALA H H 7.54 . . 854 . 77 ALA CA C 52.80 . . 855 . 77 ALA HA H 4.11 . . 856 . 77 ALA CB C 18.80 . . 857 . 77 ALA HB H 1.10 . . 858 . 77 ALA C C 178.7 . . 859 . 78 THR N N 114.80 . . 860 . 78 THR H H 7.99 . . 861 . 78 THR CA C 64.00 . . 862 . 78 THR HA H 4.05 . . 863 . 78 THR CB C 68.80 . . 864 . 78 THR HB H 4.11 . . 865 . 78 THR CG2 C 22.60 . . 866 . 78 THR HG2 H 1.27 . . 867 . 78 THR C C 175.6 . . 868 . 79 LYS N N 123.80 . . 869 . 79 LYS H H 7.89 . . 870 . 79 LYS CA C 54.60 . . 871 . 79 LYS HA H 4.47 . . 872 . 79 LYS CB C 33.10 . . 873 . 79 LYS HB3 H 1.76 . . 874 . 79 LYS HB2 H 1.39 . . 875 . 79 LYS CG C 25.20 . . 876 . 79 LYS HG2 H 1.27 . . 877 . 79 LYS HG3 H 1.27 . . 878 . 79 LYS CD C 29.7 . . 879 . 79 LYS HD2 H 1.64 . . 880 . 79 LYS HD3 H 1.51 . . 881 . 79 LYS CE C 42.0 . . 882 . 79 LYS HE3 H 2.84 . . 883 . 79 LYS HE2 H 2.84 . . 884 . 79 LYS C C 173.4 . . 885 . 80 GLU N N 117.80 . . 886 . 80 GLU H H 7.16 . . 887 . 80 GLU CA C 56.60 . . 888 . 80 GLU HA H 3.97 . . 889 . 80 GLU CB C 30.00 . . 890 . 80 GLU HB2 H 1.82 . . 891 . 80 GLU HB3 H 1.82 . . 892 . 80 GLU CG C 34.50 . . 893 . 80 GLU HG2 H 2.69 . . 894 . 80 GLU HG3 H 2.19 . . 895 . 80 GLU C C 176.2 . . 896 . 81 VAL N N 119.30 . . 897 . 81 VAL H H 8.22 . . 898 . 81 VAL CA C 59.50 . . 899 . 81 VAL HA H 4.56 . . 900 . 81 VAL CB C 33.40 . . 901 . 81 VAL HB H 2.01 . . 902 . 81 VAL CG1 C 22.50 . . 903 . 81 VAL HG1 H 0.89 . . 904 . 81 VAL CG2 C 17.50 . . 905 . 81 VAL HG2 H 0.34 . . 906 . 81 VAL C C 176.3 . . 907 . 82 ASN N N 122.50 . . 908 . 82 ASN H H 9.09 . . 909 . 82 ASN CA C 53.20 . . 910 . 82 ASN HA H 4.64 . . 911 . 82 ASN CB C 37.50 . . 912 . 82 ASN HB3 H 2.89 . . 913 . 82 ASN HB2 H 2.63 . . 914 . 82 ASN C C 173.7 . . 915 . 83 LEU N N 122.70 . . 916 . 83 LEU H H 7.43 . . 917 . 83 LEU CA C 53.10 . . 918 . 83 LEU HA H 4.52 . . 919 . 83 LEU CB C 46.30 . . 920 . 83 LEU HB3 H 1.49 . . 921 . 83 LEU HB2 H 1.34 . . 922 . 83 LEU CG C 26.40 . . 923 . 83 LEU HG H 1.52 . . 924 . 83 LEU CD2 C 24.3 . . 925 . 83 LEU HD2 H 0.94 . . 926 . 83 LEU CD1 C 26.3 . . 927 . 83 LEU HD1 H 0.73 . . 928 . 83 LEU C C 176.1 . . 929 . 84 ASP N N 120.30 . . 930 . 84 ASP H H 8.27 . . 931 . 84 ASP CA C 53.20 . . 932 . 84 ASP HA H 4.66 . . 933 . 84 ASP CB C 41.70 . . 934 . 84 ASP HB2 H 3.03 . . 935 . 84 ASP HB3 H 2.79 . . 936 . 84 ASP C C 176.3 . . 937 . 85 SER N N 116.60 . . 938 . 85 SER H H 8.93 . . 939 . 85 SER CA C 62.50 . . 940 . 85 SER HA H 4.00 . . 941 . 85 SER CB C 0.00 . . 942 . 85 SER HB2 H 4.01 . . 943 . 85 SER HB3 H 4.01 . . 944 . 85 SER C C 176.7 . . 945 . 86 CYS N N 121.40 . . 946 . 86 CYS H H 8.36 . . 947 . 86 CYS CA C 62.40 . . 948 . 86 CYS HA H 4.30 . . 949 . 86 CYS CB C 26.10 . . 950 . 86 CYS HB2 H 3.07 . . 951 . 86 CYS HB3 H 3.07 . . 952 . 86 CYS C C 177.9 . . 953 . 87 THR N N 120.20 . . 954 . 87 THR H H 8.35 . . 955 . 87 THR CA C 67.00 . . 956 . 87 THR HA H 4.06 . . 957 . 87 THR CB C 67.00 . . 958 . 87 THR HB H 4.06 . . 959 . 87 THR CG2 C 22.70 . . 960 . 87 THR HG2 H 1.22 . . 961 . 87 THR C C 178.5 . . 962 . 88 ARG N N 125.50 . . 963 . 88 ARG H H 8.55 . . 964 . 88 ARG CA C 61.60 . . 965 . 88 ARG HA H 3.73 . . 966 . 88 ARG CB C 29.90 . . 967 . 88 ARG HB2 H 1.98 . . 968 . 88 ARG HB3 H 1.91 . . 969 . 88 ARG HG2 H 1.51 . . 970 . 88 ARG HG3 H 1.67 . . 971 . 88 ARG CD C 43.30 . . 972 . 88 ARG HD2 H 3.18 . . 973 . 88 ARG HD3 H 3.02 . . 974 . 88 ARG C C 178.2 . . 975 . 89 GLU N N 121.10 . . 976 . 89 GLU H H 8.49 . . 977 . 89 GLU CA C 59.60 . . 978 . 89 GLU HA H 4.12 . . 979 . 89 GLU CB C 29.20 . . 980 . 89 GLU HB3 H 2.17 . . 981 . 89 GLU HB2 H 2.08 . . 982 . 89 GLU CG C 36.20 . . 983 . 89 GLU HG2 H 2.39 . . 984 . 89 GLU HG3 H 2.39 . . 985 . 89 GLU C C 179.5 . . 986 . 90 GLU N N 121.20 . . 987 . 90 GLU H H 8.44 . . 988 . 90 GLU CA C 59.50 . . 989 . 90 GLU HA H 4.01 . . 990 . 90 GLU CB C 29.40 . . 991 . 90 GLU HB2 H 2.17 . . 992 . 90 GLU HB3 H 2.17 . . 993 . 90 GLU CG C 35.60 . . 994 . 90 GLU HG2 H 2.40 . . 995 . 90 GLU HG3 H 2.40 . . 996 . 90 GLU C C 178.5 . . 997 . 91 THR N N 115.10 . . 998 . 91 THR H H 8.10 . . 999 . 91 THR CA C 67.80 . . 1000 . 91 THR HA H 3.91 . . 1001 . 91 THR CB C 68.40 . . 1002 . 91 THR HB H 4.42 . . 1003 . 91 THR CG2 C 22.30 . . 1004 . 91 THR HG2 H 1.43 . . 1005 . 91 THR C C 175.8 . . 1006 . 92 SER N N 116.60 . . 1007 . 92 SER H H 8.32 . . 1008 . 92 SER CA C 62.40 . . 1009 . 92 SER HA H 3.90 . . 1010 . 92 SER CB C 62.70 . . 1011 . 92 SER HB2 H 4.09 . . 1012 . 92 SER HB3 H 3.99 . . 1013 . 92 SER C C 176.6 . . 1014 . 93 ARG N N 122.30 . . 1015 . 93 ARG H H 7.84 . . 1016 . 93 ARG CA C 59.30 . . 1017 . 93 ARG HA H 4.05 . . 1018 . 93 ARG CB C 29.90 . . 1019 . 93 ARG HB3 H 1.95 . . 1020 . 93 ARG HB2 H 1.91 . . 1021 . 93 ARG CG C 27.90 . . 1022 . 93 ARG HG2 H 1.82 . . 1023 . 93 ARG HG3 H 1.60 . . 1024 . 93 ARG CD C 43.50 . . 1025 . 93 ARG HD2 H 3.23 . . 1026 . 93 ARG HD3 H 3.23 . . 1027 . 93 ARG C C 179.6 . . 1028 . 94 ASN N N 121.60 . . 1029 . 94 ASN H H 8.10 . . 1030 . 94 ASN CA C 54.90 . . 1031 . 94 ASN HA H 4.33 . . 1032 . 94 ASN CB C 38.60 . . 1033 . 94 ASN HB2 H 3.18 . . 1034 . 94 ASN HB3 H 3.18 . . 1035 . 94 ASN C C 176.7 . . 1036 . 95 MET N N 115.70 . . 1037 . 95 MET H H 7.40 . . 1038 . 95 MET CA C 55.10 . . 1039 . 95 MET HA H 4.07 . . 1040 . 95 MET CB C 31.30 . . 1041 . 95 MET HB2 H 1.98 . . 1042 . 95 MET HB3 H 1.77 . . 1043 . 95 MET CG C 31.70 . . 1044 . 95 MET HG2 H 2.29 . . 1045 . 95 MET HG3 H 1.94 . . 1046 . 95 MET CE C 15.3 . . 1047 . 95 MET HE H 1.67 . . 1048 . 95 MET C C 176.9 . . 1049 . 96 LEU N N 119.80 . . 1050 . 96 LEU H H 7.29 . . 1051 . 96 LEU CA C 57.70 . . 1052 . 96 LEU HA H 4.02 . . 1053 . 96 LEU CB C 41.50 . . 1054 . 96 LEU HB3 H 1.80 . . 1055 . 96 LEU HB2 H 1.55 . . 1056 . 96 LEU CG C 27.00 . . 1057 . 96 LEU HG H 1.80 . . 1058 . 96 LEU CD1 C 23.00 . . 1059 . 96 LEU HD1 H 0.85 . . 1060 . 96 LEU CD2 C 24.80 . . 1061 . 96 LEU HD2 H 0.95 . . 1062 . 96 LEU C C 178.4 . . 1063 . 97 GLU N N 116.60 . . 1064 . 97 GLU H H 7.20 . . 1065 . 97 GLU CA C 53.80 . . 1066 . 97 GLU HA H 4.52 . . 1067 . 97 GLU CB C 30.10 . . 1068 . 97 GLU HB2 H 1.92 . . 1069 . 97 GLU HB3 H 1.85 . . 1070 . 97 GLU CG C 36.10 . . 1071 . 97 GLU HG2 H 2.10 . . 1072 . 97 GLU HG3 H 2.10 . . 1073 . 98 PRO CA C 64.40 . . 1074 . 98 PRO HA H 4.34 . . 1075 . 98 PRO CB C 32.10 . . 1076 . 98 PRO HB2 H 2.26 . . 1077 . 98 PRO HB3 H 1.93 . . 1078 . 98 PRO CG C 27.90 . . 1079 . 98 PRO HG2 H 2.08 . . 1080 . 98 PRO HG3 H 2.08 . . 1081 . 98 PRO CD C 49.9 . . 1082 . 98 PRO HD2 H 3.59 . . 1083 . 98 PRO HD3 H 3.59 . . 1084 . 98 PRO C C 176.9 . . 1085 . 99 THR N N 113.70 . . 1086 . 99 THR H H 8.43 . . 1087 . 99 THR CA C 59.60 . . 1088 . 99 THR HA H 4.79 . . 1089 . 99 THR CB C 72.50 . . 1090 . 99 THR HB H 4.60 . . 1091 . 99 THR CG2 C 21.10 . . 1092 . 99 THR HG2 H 1.30 . . 1093 . 99 THR C C 179.1 . . 1094 . 100 ILE N N 123.20 . . 1095 . 100 ILE H H 9.19 . . 1096 . 100 ILE CA C 63.20 . . 1097 . 100 ILE HA H 4.22 . . 1098 . 100 ILE CB C 39.60 . . 1099 . 100 ILE HB H 1.98 . . 1100 . 100 ILE CG2 C 19.1 . . 1101 . 100 ILE HG2 H 1.03 . . 1102 . 100 ILE CG1 C 28.50 . . 1103 . 100 ILE HG13 H 1.48 . . 1104 . 100 ILE HG12 H 1.40 . . 1105 . 100 ILE CD1 C 14.80 . . 1106 . 100 ILE HD1 H 0.89 . . 1107 . 100 ILE C C 176.1 . . 1108 . 101 THR N N 109.80 . . 1109 . 101 THR H H 7.61 . . 1110 . 101 THR CA C 61.50 . . 1111 . 101 THR HA H 4.57 . . 1112 . 101 THR CB C 69.30 . . 1113 . 101 THR HB H 4.63 . . 1114 . 101 THR CG2 C 21.70 . . 1115 . 101 THR HG2 H 1.20 . . 1116 . 101 THR C C 176.2 . . 1117 . 102 CYS N N 122.70 . . 1118 . 102 CYS H H 7.48 . . 1119 . 102 CYS CA C 62.60 . . 1120 . 102 CYS HA H 3.85 . . 1121 . 102 CYS CB C 28.90 . . 1122 . 102 CYS HB3 H 3.15 . . 1123 . 102 CYS HB2 H 2.31 . . 1124 . 102 CYS C C 174.5 . . 1125 . 103 PHE N N 112.80 . . 1126 . 103 PHE H H 8.78 . . 1127 . 103 PHE CA C 57.80 . . 1128 . 103 PHE HA H 4.95 . . 1129 . 103 PHE CB C 40.70 . . 1130 . 103 PHE HB3 H 3.71 . . 1131 . 103 PHE HB2 H 2.57 . . 1132 . 103 PHE HD1 H 6.76 . . 1133 . 103 PHE HD2 H 6.76 . . 1134 . 103 PHE HE1 H 6.62 . . 1135 . 103 PHE HE2 H 6.62 . . 1136 . 103 PHE HZ H 7.70 . . 1137 . 103 PHE C C 175.2 . . 1138 . 104 ASP N N 122.00 . . 1139 . 104 ASP H H 7.72 . . 1140 . 104 ASP CA C 58.90 . . 1141 . 104 ASP HA H 4.28 . . 1142 . 104 ASP CB C 39.80 . . 1143 . 104 ASP HB3 H 2.82 . . 1144 . 104 ASP HB2 H 2.59 . . 1145 . 104 ASP C C 179.1 . . 1146 . 105 GLU N N 119.90 . . 1147 . 105 GLU H H 8.75 . . 1148 . 105 GLU CA C 59.40 . . 1149 . 105 GLU HA H 4.16 . . 1150 . 105 GLU CB C 28.60 . . 1151 . 105 GLU HB2 H 2.44 . . 1152 . 105 GLU HB3 H 2.12 . . 1153 . 105 GLU CG C 35.90 . . 1154 . 105 GLU HG2 H 2.42 . . 1155 . 105 GLU HG3 H 2.42 . . 1156 . 105 GLU C C 175.0 . . 1157 . 106 ALA N N 122.90 . . 1158 . 106 ALA H H 8.66 . . 1159 . 106 ALA CA C 55.40 . . 1160 . 106 ALA HA H 4.03 . . 1161 . 106 ALA CB C 18.60 . . 1162 . 106 ALA HB H 1.65 . . 1163 . 106 ALA C C 178.8 . . 1164 . 107 GLN N N 118.70 . . 1165 . 107 GLN H H 9.58 . . 1166 . 107 GLN CA C 60.30 . . 1167 . 107 GLN HA H 3.90 . . 1168 . 107 GLN CB C 27.90 . . 1169 . 107 GLN HB2 H 2.22 . . 1170 . 107 GLN HB3 H 2.05 . . 1171 . 107 GLN CG C 35.20 . . 1172 . 107 GLN HG2 H 1.78 . . 1173 . 107 GLN HG3 H 2.42 . . 1174 . 107 GLN C C 178.3 . . 1175 . 108 LYS N N 120.10 . . 1176 . 108 LYS H H 8.11 . . 1177 . 108 LYS CA C 59.60 . . 1178 . 108 LYS HA H 4.21 . . 1179 . 108 LYS CB C 32.40 . . 1180 . 108 LYS HB2 H 2.18 . . 1181 . 108 LYS HB3 H 2.02 . . 1182 . 108 LYS CG C 25.20 . . 1183 . 108 LYS HG2 H 1.46 . . 1184 . 108 LYS HG3 H 1.46 . . 1185 . 108 LYS CD C 29.80 . . 1186 . 108 LYS HD2 H 1.69 . . 1187 . 108 LYS HD3 H 1.69 . . 1188 . 108 LYS CE C 42.20 . . 1189 . 108 LYS HE2 H 3.00 . . 1190 . 108 LYS HE3 H 3.00 . . 1191 . 108 LYS C C 179.3 . . 1192 . 109 LYS N N 118.80 . . 1193 . 109 LYS H H 8.08 . . 1194 . 109 LYS CA C 59.00 . . 1195 . 109 LYS HA H 4.27 . . 1196 . 109 LYS CB C 31.80 . . 1197 . 109 LYS HB2 H 2.22 . . 1198 . 109 LYS HB3 H 2.04 . . 1199 . 109 LYS CG C 24.90 . . 1200 . 109 LYS HG2 H 1.44 . . 1201 . 109 LYS HG3 H 1.44 . . 1202 . 109 LYS CD C 25.60 . . 1203 . 109 LYS HD2 H 1.77 . . 1204 . 109 LYS HD3 H 1.77 . . 1205 . 109 LYS CE C 42.00 . . 1206 . 109 LYS HE3 H 3.00 . . 1207 . 109 LYS HE2 H 3.00 . . 1208 . 109 LYS C C 180.4 . . 1209 . 110 ILE N N 121.30 . . 1210 . 110 ILE H H 8.30 . . 1211 . 110 ILE CA C 61.50 . . 1212 . 110 ILE HA H 4.22 . . 1213 . 110 ILE CB C 36.00 . . 1214 . 110 ILE HB H 2.44 . . 1215 . 110 ILE CG1 C 29.0 . . 1216 . 110 ILE HG12 H 2.06 . . 1217 . 110 ILE HG13 H 1.43 . . 1218 . 110 ILE CG2 C 19.60 . . 1219 . 110 ILE HG2 H 1.38 . . 1220 . 110 ILE CD1 C 10.0 . . 1221 . 110 ILE HD1 H 0.76 . . 1222 . 110 ILE C C 177.9 . . 1223 . 111 PHE N N 124.50 . . 1224 . 111 PHE H H 9.22 . . 1225 . 111 PHE CA C 63.20 . . 1226 . 111 PHE HA H 3.80 . . 1227 . 111 PHE CB C 39.20 . . 1228 . 111 PHE HB2 H 3.51 . . 1229 . 111 PHE HB3 H 3.21 . . 1230 . 111 PHE HD1 H 6.87 . . 1231 . 111 PHE HD2 H 6.87 . . 1232 . 111 PHE HE1 H 7.04 . . 1233 . 111 PHE HE2 H 7.04 . . 1234 . 111 PHE HZ H 7.04 . . 1235 . 111 PHE C C 176.8 . . 1236 . 112 ASN N N 117.20 . . 1237 . 112 ASN H H 8.51 . . 1238 . 112 ASN CA C 56.30 . . 1239 . 112 ASN HA H 4.50 . . 1240 . 112 ASN CB C 38.60 . . 1241 . 112 ASN HB2 H 3.08 . . 1242 . 112 ASN HB3 H 2.90 . . 1243 . 112 ASN C C 177.5 . . 1244 . 113 LEU N N 121.50 . . 1245 . 113 LEU H H 7.95 . . 1246 . 113 LEU CA C 58.30 . . 1247 . 113 LEU HA H 4.21 . . 1248 . 113 LEU CB C 42.30 . . 1249 . 113 LEU HB2 H 1.99 . . 1250 . 113 LEU HB3 H 2.05 . . 1251 . 113 LEU CG C 27.10 . . 1252 . 113 LEU HG H 1.83 . . 1253 . 113 LEU CD1 C 24.80 . . 1254 . 113 LEU HD1 H 1.08 . . 1255 . 113 LEU CD2 C 24.90 . . 1256 . 113 LEU HD2 H 1.06 . . 1257 . 113 LEU C C 180.3 . . 1258 . 114 MET N N 118.60 . . 1259 . 114 MET H H 8.22 . . 1260 . 114 MET CA C 60.00 . . 1261 . 114 MET HA H 4.28 . . 1262 . 114 MET CB C 35.00 . . 1263 . 114 MET HB2 H 1.82 . . 1264 . 114 MET HB3 H 1.68 . . 1265 . 114 MET CG C 32.00 . . 1266 . 114 MET HG2 H 2.38 . . 1267 . 114 MET HG3 H 2.31 . . 1268 . 114 MET CE C 15.9 . . 1269 . 114 MET HE H 1.73 . . 1270 . 114 MET C C 177.0 . . 1271 . 115 GLU N N 120.20 . . 1272 . 115 GLU H H 8.46 . . 1273 . 115 GLU CA C 60.40 . . 1274 . 115 GLU HA H 3.49 . . 1275 . 115 GLU CB C 29.60 . . 1276 . 115 GLU HB2 H 1.58 . . 1277 . 115 GLU HB3 H 1.58 . . 1278 . 115 GLU CG C 37.30 . . 1279 . 115 GLU HG2 H 2.07 . . 1280 . 115 GLU HG3 H 2.07 . . 1281 . 115 GLU C C 177.3 . . 1282 . 116 LYS N N 113.50 . . 1283 . 116 LYS H H 7.57 . . 1284 . 116 LYS CA C 57.50 . . 1285 . 116 LYS HA H 4.26 . . 1286 . 116 LYS CB C 33.10 . . 1287 . 116 LYS HB2 H 1.98 . . 1288 . 116 LYS HB3 H 1.98 . . 1289 . 116 LYS CG C 24.70 . . 1290 . 116 LYS HG2 H 1.59 . . 1291 . 116 LYS HG3 H 1.59 . . 1292 . 116 LYS CD C 29.50 . . 1293 . 116 LYS HD2 H 1.72 . . 1294 . 116 LYS HD3 H 1.72 . . 1295 . 116 LYS CE C 42.30 . . 1296 . 116 LYS HE3 H 3.04 . . 1297 . 116 LYS HE2 H 3.04 . . 1298 . 116 LYS C C 176.9 . . 1299 . 117 ASP N N 116.60 . . 1300 . 117 ASP H H 7.62 . . 1301 . 117 ASP CA C 55.80 . . 1302 . 117 ASP HA H 5.08 . . 1303 . 117 ASP CB C 42.80 . . 1304 . 117 ASP HB2 H 2.92 . . 1305 . 117 ASP HB3 H 2.84 . . 1306 . 117 ASP C C 176.6 . . 1307 . 118 SER N N 117.20 . . 1308 . 118 SER H H 8.45 . . 1309 . 118 SER CA C 63.00 . . 1310 . 118 SER HA H 4.52 . . 1311 . 118 SER CB C 63.60 . . 1312 . 118 SER HB2 H 4.33 . . 1313 . 118 SER HB3 H 4.02 . . 1314 . 118 SER C C 176.2 . . 1315 . 119 TYR N N 121.80 . . 1316 . 119 TYR H H 8.95 . . 1317 . 119 TYR CA C 60.40 . . 1318 . 119 TYR HA H 4.27 . . 1319 . 119 TYR CB C 39.20 . . 1320 . 119 TYR HB2 H 3.18 . . 1321 . 119 TYR HB3 H 2.81 . . 1322 . 119 TYR HD1 H 6.72 . . 1323 . 119 TYR HD2 H 6.72 . . 1324 . 119 TYR CE1 C 117.2 . . 1325 . 119 TYR CE2 C 117.2 . . 1326 . 119 TYR HE1 H 6.58 . . 1327 . 119 TYR HE2 H 6.58 . . 1328 . 119 TYR C C 175.5 . . 1329 . 120 ARG N N 114.40 . . 1330 . 120 ARG H H 7.11 . . 1331 . 120 ARG CA C 58.30 . . 1332 . 120 ARG HA H 3.52 . . 1333 . 120 ARG CB C 28.70 . . 1334 . 120 ARG HB3 H 1.96 . . 1335 . 120 ARG HB2 H 1.80 . . 1336 . 120 ARG CG C 27.00 . . 1337 . 120 ARG HG2 H 1.87 . . 1338 . 120 ARG HG3 H 1.64 . . 1339 . 120 ARG CD C 42.90 . . 1340 . 120 ARG HD2 H 3.16 . . 1341 . 120 ARG HD3 H 3.10 . . 1342 . 120 ARG C C 179.8 . . 1343 . 121 ARG N N 117.50 . . 1344 . 121 ARG H H 7.63 . . 1345 . 121 ARG CA C 59.60 . . 1346 . 121 ARG HA H 3.97 . . 1347 . 121 ARG CB C 30.30 . . 1348 . 121 ARG HB2 H 2.07 . . 1349 . 121 ARG HB3 H 2.07 . . 1350 . 121 ARG NE N 43.10 . . 1351 . 121 ARG C C 179.4 . . 1352 . 122 PHE N N 124.00 . . 1353 . 122 PHE H H 8.57 . . 1354 . 122 PHE CA C 60.00 . . 1355 . 122 PHE HA H 3.32 . . 1356 . 122 PHE CB C 38.30 . . 1357 . 122 PHE HB2 H 2.89 . . 1358 . 122 PHE HB3 H 2.76 . . 1359 . 122 PHE HD1 H 6.77 . . 1360 . 122 PHE HD2 H 6.77 . . 1361 . 122 PHE HE1 H 7.16 . . 1362 . 122 PHE HE2 H 7.16 . . 1363 . 122 PHE CZ C 128.3 . . 1364 . 122 PHE HZ H 7.26 . . 1365 . 122 PHE C C 178.4 . . 1366 . 123 LEU N N 117.70 . . 1367 . 123 LEU H H 7.05 . . 1368 . 123 LEU CA C 56.30 . . 1369 . 123 LEU HA H 3.27 . . 1370 . 123 LEU CB C 41.40 . . 1371 . 123 LEU HB3 H 1.11 . . 1372 . 123 LEU HB2 H 1.06 . . 1373 . 123 LEU CG C 25.60 . . 1374 . 123 LEU HG H 1.31 . . 1375 . 123 LEU CD1 C 25.2 . . 1376 . 123 LEU HD1 H 0.32 . . 1377 . 123 LEU CD2 C 19.6 . . 1378 . 123 LEU C C 176.3 . . 1379 . 124 LYS N N 114.30 . . 1380 . 124 LYS H H 6.72 . . 1381 . 124 LYS CA C 54.80 . . 1382 . 124 LYS HA H 4.42 . . 1383 . 124 LYS CB C 33.00 . . 1384 . 124 LYS HB2 H 2.09 . . 1385 . 124 LYS HB3 H 1.63 . . 1386 . 124 LYS CG C 24.80 . . 1387 . 124 LYS HG2 H 1.46 . . 1388 . 124 LYS HG3 H 1.46 . . 1389 . 124 LYS CD C 28.90 . . 1390 . 124 LYS HD2 H 1.70 . . 1391 . 124 LYS HD3 H 1.70 . . 1392 . 124 LYS CE C 42.20 . . 1393 . 124 LYS HE3 H 2.97 . . 1394 . 124 LYS HE2 H 2.97 . . 1395 . 124 LYS C C 175.5 . . 1396 . 125 SER N N 118.20 . . 1397 . 125 SER H H 7.83 . . 1398 . 125 SER CA C 57.90 . . 1399 . 125 SER HA H 4.79 . . 1400 . 125 SER CB C 67.10 . . 1401 . 125 SER HB2 H 4.52 . . 1402 . 125 SER HB3 H 4.52 . . 1403 . 125 SER C C 175.6 . . 1404 . 126 ARG N N 121.10 . . 1405 . 126 ARG H H 9.39 . . 1406 . 126 ARG CA C 58.20 . . 1407 . 126 ARG HA H 3.92 . . 1408 . 126 ARG CB C 28.40 . . 1409 . 126 ARG HB2 H 1.81 . . 1410 . 126 ARG HB3 H 1.81 . . 1411 . 126 ARG CG C 25.50 . . 1412 . 126 ARG HG2 H 1.60 . . 1413 . 126 ARG HG3 H 1.43 . . 1414 . 126 ARG CD C 42.50 . . 1415 . 126 ARG HD2 H 3.05 . . 1416 . 126 ARG HD3 H 2.97 . . 1417 . 126 ARG C C 176.5 . . 1418 . 127 PHE N N 115.50 . . 1419 . 127 PHE H H 7.47 . . 1420 . 127 PHE CA C 60.70 . . 1421 . 127 PHE HA H 4.21 . . 1422 . 127 PHE CB C 39.50 . . 1423 . 127 PHE HB3 H 3.42 . . 1424 . 127 PHE HB2 H 3.17 . . 1425 . 127 PHE HD1 H 7.65 . . 1426 . 127 PHE HD2 H 7.65 . . 1427 . 127 PHE CD1 C 132.4 . . 1428 . 127 PHE CD2 C 132.4 . . 1429 . 127 PHE HE1 H 7.18 . . 1430 . 127 PHE HE2 H 7.18 . . 1431 . 127 PHE CZ C 132.4 . . 1432 . 127 PHE HZ H 7.59 . . 1433 . 127 PHE C C 176.0 . . 1434 . 128 TYR N N 114.20 . . 1435 . 128 TYR H H 6.68 . . 1436 . 128 TYR CA C 59.30 . . 1437 . 128 TYR HA H 4.45 . . 1438 . 128 TYR CB C 39.80 . . 1439 . 128 TYR HB2 H 2.39 . . 1440 . 128 TYR HB3 H 2.39 . . 1441 . 128 TYR CD1 C 133.0 . . 1442 . 128 TYR CD2 C 133.0 . . 1443 . 128 TYR HD1 H 7.17 . . 1444 . 128 TYR HD2 H 7.17 . . 1445 . 128 TYR CE1 C 117.6 . . 1446 . 128 TYR CE2 C 117.6 . . 1447 . 128 TYR HE1 H 6.91 . . 1448 . 128 TYR HE2 H 6.91 . . 1449 . 128 TYR C C 177.2 . . 1450 . 129 LEU N N 116.80 . . 1451 . 129 LEU H H 8.34 . . 1452 . 129 LEU CA C 57.60 . . 1453 . 129 LEU HA H 3.71 . . 1454 . 129 LEU CB C 41.70 . . 1455 . 129 LEU HB3 H 1.41 . . 1456 . 129 LEU HB2 H 1.37 . . 1457 . 129 LEU CG C 26.8 . . 1458 . 129 LEU HG H 1.76 . . 1459 . 129 LEU CD1 C 25.6 . . 1460 . 129 LEU HD1 H 0.74 . . 1461 . 129 LEU CD2 C 22.40 . . 1462 . 129 LEU HD2 H 0.89 . . 1463 . 129 LEU C C 180.4 . . 1464 . 130 ASP N N 119.00 . . 1465 . 130 ASP H H 8.61 . . 1466 . 130 ASP CA C 56.80 . . 1467 . 130 ASP HA H 4.38 . . 1468 . 130 ASP CB C 39.80 . . 1469 . 130 ASP HB2 H 2.63 . . 1470 . 130 ASP HB3 H 2.63 . . 1471 . 131 LEU N N 117.50 . . 1472 . 131 LEU H H 7.46 . . 1473 . 131 LEU CA C 55.70 . . 1474 . 131 LEU HA H 4.18 . . 1475 . 131 LEU CB C 42.10 . . 1476 . 131 LEU HB3 H 1.83 . . 1477 . 131 LEU HB2 H 1.43 . . 1478 . 131 LEU CG C 27.00 . . 1479 . 131 LEU HG H 1.76 . . 1480 . 131 LEU CD1 C 22.9 . . 1481 . 131 LEU HD1 H 0.94 . . 1482 . 131 LEU CD2 C 26.8 . . 1483 . 131 LEU HD2 H 1.27 . . 1484 . 131 LEU C C 177.8 . . 1485 . 132 THR N N 108.30 . . 1486 . 132 THR H H 7.24 . . 1487 . 132 THR CA C 61.60 . . 1488 . 132 THR HA H 4.26 . . 1489 . 132 THR CB C 70.10 . . 1490 . 132 THR HB H 4.09 . . 1491 . 132 THR CG2 C 21.60 . . 1492 . 132 THR HG2 H 0.73 . . 1493 . 132 THR C C 173.9 . . 1494 . 133 ASN N N 119.80 . . 1495 . 133 ASN H H 7.60 . . 1496 . 133 ASN CA C 51.30 . . 1497 . 133 ASN HA H 4.95 . . 1498 . 133 ASN CB C 38.80 . . 1499 . 133 ASN HB2 H 2.78 . . 1500 . 133 ASN HB3 H 2.62 . . 1501 . 134 PRO CA C 63.70 . . 1502 . 134 PRO HA H 4.43 . . 1503 . 134 PRO CB C 32.10 . . 1504 . 134 PRO HB2 H 2.27 . . 1505 . 134 PRO HB3 H 1.96 . . 1506 . 134 PRO CG C 27.2 . . 1507 . 134 PRO HG2 H 1.97 . . 1508 . 134 PRO HG3 H 1.97 . . 1509 . 134 PRO CD C 50.70 . . 1510 . 134 PRO HD2 H 3.67 . . 1511 . 134 PRO HD3 H 3.50 . . 1512 . 134 PRO C C 177.4 . . 1513 . 135 SER N N 115.50 . . 1514 . 135 SER H H 8.32 . . 1515 . 135 SER CA C 58.80 . . 1516 . 135 SER HA H 4.44 . . 1517 . 135 SER CB C 63.70 . . 1518 . 135 SER HB2 H 4.42 . . 1519 . 135 SER HB3 H 3.88 . . 1520 . 135 SER C C 174.9 . . 1521 . 136 SER N N 117.60 . . 1522 . 136 SER H H 8.22 . . 1523 . 136 SER CA C 58.50 . . 1524 . 136 SER HA H 4.47 . . 1525 . 136 SER CB C 63.80 . . 1526 . 136 SER HB2 H 3.90 . . 1527 . 136 SER HB3 H 3.13 . . 1528 . 137 CYS N N 120.70 . . 1529 . 137 CYS H H 8.27 . . 1530 . 137 CYS CA C 58.70 . . 1531 . 137 CYS HA H 4.55 . . 1532 . 137 CYS CB C 28.10 . . 1533 . 137 CYS HB2 H 2.95 . . 1534 . 137 CYS HB3 H 2.95 . . 1535 . 137 CYS C C 175.1 . . 1536 . 138 GLY N N 111.50 . . 1537 . 138 GLY H H 8.43 . . 1538 . 138 GLY CA C 45.40 . . 1539 . 138 GLY HA2 H 3.96 . . 1540 . 138 GLY HA3 H 3.96 . . 1541 . 138 GLY C C 173.8 . . 1542 . 139 ALA N N 124.00 . . 1543 . 139 ALA H H 8.10 . . 1544 . 139 ALA CA C 52.60 . . 1545 . 139 ALA HA H 4.30 . . 1546 . 139 ALA CB C 19.40 . . 1547 . 139 ALA HB H 1.43 . . 1548 . 139 ALA C C 178.0 . . 1549 . 140 GLU N N 120.00 . . 1550 . 140 GLU H H 8.48 . . 1551 . 140 GLU CA C 57.00 . . 1552 . 140 GLU HA H 4.22 . . 1553 . 140 GLU CB C 30.00 . . 1554 . 140 GLU HB2 H 2.01 . . 1555 . 140 GLU HB3 H 2.01 . . 1556 . 140 GLU CG C 36.20 . . 1557 . 140 GLU HG2 H 2.28 . . 1558 . 140 GLU HG3 H 2.28 . . 1559 . 140 GLU C C 176.8 . . 1560 . 141 LYS N N 122.10 . . 1561 . 141 LYS H H 8.23 . . 1562 . 141 LYS CA C 56.50 . . 1563 . 141 LYS HA H 4.27 . . 1564 . 141 LYS CB C 32.90 . . 1565 . 141 LYS HB2 H 1.80 . . 1566 . 141 LYS HB3 H 1.80 . . 1567 . 141 LYS CG C 24.90 . . 1568 . 141 LYS HG2 H 1.44 . . 1569 . 141 LYS HG3 H 1.44 . . 1570 . 141 LYS CD C 29.00 . . 1571 . 141 LYS HD2 H 1.71 . . 1572 . 141 LYS HD3 H 1.71 . . 1573 . 141 LYS CE C 42.20 . . 1574 . 141 LYS HE2 H 3.00 . . 1575 . 141 LYS HE3 H 3.00 . . 1576 . 141 LYS C C 176.7 . . 1577 . 142 GLN N N 121.10 . . 1578 . 142 GLN H H 8.27 . . 1579 . 142 GLN CA C 55.00 . . 1580 . 142 GLN HA H 4.16 . . 1581 . 142 GLN CB C 33.10 . . 1582 . 142 GLN HB2 H 2.21 . . 1583 . 142 GLN HB3 H 2.21 . . 1584 . 142 GLN CG C 30.9 . . 1585 . 142 GLN HG2 H 2.64 . . 1586 . 142 GLN HG3 H 2.64 . . 1587 . 143 LYS N N 120.70 . . 1588 . 143 LYS H H 8.27 . . 1589 . 143 LYS CA C 56.70 . . 1590 . 143 LYS HA H 4.42 . . 1591 . 143 LYS CB C 30.80 . . 1592 . 143 LYS HB3 H 1.92 . . 1593 . 143 LYS HB2 H 1.86 . . 1594 . 143 LYS CG C 24.7 . . 1595 . 143 LYS CD C 27.1 . . 1596 . 143 LYS HD2 H 1.71 . . 1597 . 143 LYS HD3 H 1.71 . . 1598 . 143 LYS CE C 43.5 . . 1599 . 143 LYS HE3 H 3.25 . . 1600 . 143 LYS HE2 H 3.25 . . 1601 . 143 LYS C C 176.3 . . 1602 . 144 GLY N N 111.10 . . 1603 . 144 GLY H H 8.57 . . 1604 . 144 GLY CA C 45.40 . . 1605 . 144 GLY HA2 H 3.97 . . 1606 . 144 GLY HA3 H 3.97 . . 1607 . 144 GLY C C 176.1 . . 1608 . 145 ALA N N 124.00 . . 1609 . 145 ALA H H 8.15 . . 1610 . 145 ALA CA C 52.70 . . 1611 . 145 ALA HA H 4.30 . . 1612 . 145 ALA CB C 19.50 . . 1613 . 145 ALA HB H 1.43 . . 1614 . 145 ALA C C 177.9 . . 1615 . 146 LYS N N 120.90 . . 1616 . 146 LYS H H 8.35 . . 1617 . 146 LYS CA C 56.30 . . 1618 . 146 LYS HA H 4.35 . . 1619 . 146 LYS CB C 33.10 . . 1620 . 146 LYS HB2 H 1.81 . . 1621 . 146 LYS HB3 H 1.45 . . 1622 . 146 LYS CG C 24.80 . . 1623 . 146 LYS HG2 H 1.46 . . 1624 . 146 LYS HG3 H 1.46 . . 1625 . 146 LYS CD C 29.10 . . 1626 . 146 LYS HD2 H 1.71 . . 1627 . 146 LYS HD3 H 1.84 . . 1628 . 146 LYS CE C 42.20 . . 1629 . 146 LYS HE3 H 3.01 . . 1630 . 146 LYS HE2 H 3.01 . . 1631 . 146 LYS C C 179.9 . . 1632 . 147 SER N N 117.30 . . 1633 . 147 SER H H 8.39 . . 1634 . 147 SER CA C 58.20 . . 1635 . 147 SER HA H 3.94 . . 1636 . 147 SER CB C 64.10 . . 1637 . 147 SER HB3 H 4.50 . . 1638 . 147 SER HB2 H 3.90 . . 1639 . 147 SER C C 174.8 . . 1640 . 148 SER N N 118.30 . . 1641 . 148 SER H H 8.39 . . 1642 . 148 SER CA C 58.50 . . 1643 . 148 SER HA H 4.47 . . 1644 . 148 SER CB C 63.90 . . 1645 . 148 SER HB2 H 3.90 . . 1646 . 148 SER HB3 H 3.90 . . 1647 . 148 SER C C 174.5 . . 1648 . 149 ALA N N 125.70 . . 1649 . 149 ALA H H 8.30 . . 1650 . 149 ALA CA C 52.80 . . 1651 . 149 ALA HA H 4.29 . . 1652 . 149 ALA CB C 19.30 . . 1653 . 149 ALA HB H 1.38 . . 1654 . 150 ASP N N 119.30 . . 1655 . 150 ASP H H 8.18 . . 1656 . 150 ASP CA C 54.40 . . 1657 . 150 ASP HA H 4.61 . . 1658 . 150 ASP CB C 41.20 . . 1659 . 150 ASP HB2 H 2.70 . . 1660 . 150 ASP HB3 H 2.70 . . 1661 . 150 ASP C C 176.5 . . 1662 . 151 CYS N N 119.80 . . 1663 . 151 CYS H H 8.28 . . 1664 . 151 CYS CA C 58.80 . . 1665 . 151 CYS HA H 4.58 . . 1666 . 151 CYS CB C 27.90 . . 1667 . 151 CYS HB2 H 2.98 . . 1668 . 151 CYS HB3 H 2.98 . . 1669 . 151 CYS C C 175.1 . . 1670 . 152 THR N N 116.40 . . 1671 . 152 THR H H 8.28 . . 1672 . 152 THR CA C 62.50 . . 1673 . 152 THR HA H 4.33 . . 1674 . 152 THR CB C 69.70 . . 1675 . 152 THR HB H 4.27 . . 1676 . 152 THR CG2 C 21.70 . . 1677 . 152 THR HG2 H 1.24 . . 1678 . 152 THR C C 174.7 . . 1679 . 153 SER N N 118.00 . . 1680 . 153 SER H H 8.20 . . 1681 . 153 SER CA C 58.40 . . 1682 . 153 SER HA H 4.47 . . 1683 . 153 SER CB C 63.80 . . 1684 . 153 SER HB3 H 3.93 . . 1685 . 153 SER HB2 H 3.87 . . 1686 . 153 SER C C 174.2 . . 1687 . 154 LEU N N 124.30 . . 1688 . 154 LEU H H 8.18 . . 1689 . 154 LEU CA C 55.20 . . 1690 . 154 LEU HA H 4.37 . . 1691 . 154 LEU CB C 42.40 . . 1692 . 154 LEU HB2 H 1.61 . . 1693 . 154 LEU HB3 H 1.61 . . 1694 . 154 LEU CG C 27.00 . . 1695 . 154 LEU HG H 1.61 . . 1696 . 154 LEU CD1 C 23.50 . . 1697 . 154 LEU HD1 H 0.86 . . 1698 . 154 LEU CD2 C 24.90 . . 1699 . 154 LEU HD2 H 0.90 . . 1700 . 154 LEU C C 177.0 . . 1701 . 155 VAL N N 122.40 . . 1702 . 155 VAL H H 8.01 . . 1703 . 155 VAL CA C 59.90 . . 1704 . 155 VAL HA H 4.39 . . 1705 . 155 VAL CB C 32.60 . . 1706 . 155 VAL HB H 2.06 . . 1707 . 155 VAL CG1 C 21.00 . . 1708 . 155 VAL HG1 H 0.94 . . 1709 . 155 VAL CG2 C 20.40 . . 1710 . 155 VAL HG2 H 0.94 . . 1711 . 156 PRO CA C 63.30 . . 1712 . 156 PRO HA H 4.39 . . 1713 . 156 PRO CB C 32.20 . . 1714 . 156 PRO HB2 H 2.30 . . 1715 . 156 PRO HB3 H 1.90 . . 1716 . 156 PRO CG C 27.50 . . 1717 . 156 PRO HG2 H 2.03 . . 1718 . 156 PRO HG3 H 1.94 . . 1719 . 156 PRO CD C 51.10 . . 1720 . 156 PRO HD2 H 3.86 . . 1721 . 156 PRO HD3 H 3.69 . . 1722 . 156 PRO C C 177.0 . . 1723 . 157 GLN N N 120.90 . . 1724 . 157 GLN H H 8.49 . . 1725 . 157 GLN CA C 56.10 . . 1726 . 157 GLN HA H 4.29 . . 1727 . 157 GLN CB C 29.50 . . 1728 . 157 GLN HB2 H 2.06 . . 1729 . 157 GLN HB3 H 2.00 . . 1730 . 157 GLN CG C 33.90 . . 1731 . 157 GLN HG2 H 2.41 . . 1732 . 157 GLN HG3 H 2.41 . . 1733 . 157 GLN C C 176.1 . . 1734 . 158 CYS N N 120.20 . . 1735 . 158 CYS H H 8.31 . . 1736 . 158 CYS CA C 58.20 . . 1737 . 158 CYS HA H 4.45 . . 1738 . 158 CYS CB C 28.20 . . 1739 . 158 CYS HB2 H 2.88 . . 1740 . 158 CYS HB3 H 2.88 . . 1741 . 158 CYS C C 174.1 . . 1742 . 159 ALA N N 126.30 . . 1743 . 159 ALA H H 8.32 . . 1744 . 159 ALA CA C 52.60 . . 1745 . 159 ALA HA H 4.25 . . 1746 . 159 ALA CB C 19.30 . . 1747 . 159 ALA HB H 1.30 . . 1748 . 159 ALA C C 177.3 . . 1749 . 160 HIS N N 117.90 . . 1750 . 160 HIS H H 8.24 . . 1751 . 160 HIS CA C 55.50 . . 1752 . 160 HIS HA H 4.62 . . 1753 . 160 HIS CB C 29.80 . . 1754 . 160 HIS HB3 H 3.15 . . 1755 . 160 HIS HB2 H 3.06 . . 1756 . 160 HIS CD2 C 119.5 . . 1757 . 160 HIS HD2 H 7.13 . . stop_ save_