data_5974 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of the 1H, 13C and 15N resonances of the catalytic domain of guanine nucleotide exchange factor BopE from Burkholderia pseudomallei ; _BMRB_accession_number 5974 _BMRB_flat_file_name bmr5974.str _Entry_type original _Submission_date 2003-10-16 _Accession_date 2003-10-16 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wu Huan-Lin . . 2 Williams Christopher . . 3 Upadhyay Abhishek . . 4 Galyov Edouard E. . 5 Stefan Bagby . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 738 "13C chemical shifts" 672 "15N chemical shifts" 175 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-04-07 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 5701 'SopE2 momomer' stop_ _Original_release_date 2004-04-07 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Assignment of the 1H, 13C and 15N resonances of the catalytic domain of guanine nucleotide exchange factor BopE from Burkholderia pseudomallei ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15014239 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wu Huan-Lin . . 2 Williams Christopher . . 3 Upadhyay Abhishek . . 4 Galyov Edouard E. . 5 Bagby Stefan . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 29 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 215 _Page_last 216 _Year 2004 _Details . loop_ _Keyword 'guanine nucleotide exchange factor' 'Burkholderia pseudomallei' 'type III secretion' 'Rho GTPase' melioidosis stop_ save_ ################################## # Molecular system description # ################################## save_system_BopE _Saveframe_category molecular_system _Mol_system_name BopE _Abbreviation_common BopE _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'BopE monomer' $BopE stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'guanine nucleotide exchange factor for Rho GTPases' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_BopE _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common BopE _Abbreviation_common BopE _Molecular_mass . _Mol_thiol_state 'all free' _Details 'Residues 3-186 corresponds to BopE residues 78-261.' ############################## # Polymer residue sequence # ############################## _Residue_count 187 _Mol_residue_sequence ; GSTGDAKQAIRHFVDEAVKQ VAHARTPEIRQDAEFGRQVY EATLCAIFSEAKDRFCMDPA TRAGNVRPAFIEALGDAARA TGLPGADKQGVFTPSGAGTN PLYTEIRLRADTLMGAELAA RPEYRELQPYARQQAIDLVA NALPAERSNTLVEFRQTVQT LEATYRRAAQDASRDEKGAT NAADGAA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 SER 3 1 THR 4 2 GLY 5 3 ASP 6 4 ALA 7 5 LYS 8 6 GLN 9 7 ALA 10 8 ILE 11 9 ARG 12 10 HIS 13 11 PHE 14 12 VAL 15 13 ASP 16 14 GLU 17 15 ALA 18 16 VAL 19 17 LYS 20 18 GLN 21 19 VAL 22 20 ALA 23 21 HIS 24 22 ALA 25 23 ARG 26 24 THR 27 25 PRO 28 26 GLU 29 27 ILE 30 28 ARG 31 29 GLN 32 30 ASP 33 31 ALA 34 32 GLU 35 33 PHE 36 34 GLY 37 35 ARG 38 36 GLN 39 37 VAL 40 38 TYR 41 39 GLU 42 40 ALA 43 41 THR 44 42 LEU 45 43 CYS 46 44 ALA 47 45 ILE 48 46 PHE 49 47 SER 50 48 GLU 51 49 ALA 52 50 LYS 53 51 ASP 54 52 ARG 55 53 PHE 56 54 CYS 57 55 MET 58 56 ASP 59 57 PRO 60 58 ALA 61 59 THR 62 60 ARG 63 61 ALA 64 62 GLY 65 63 ASN 66 64 VAL 67 65 ARG 68 66 PRO 69 67 ALA 70 68 PHE 71 69 ILE 72 70 GLU 73 71 ALA 74 72 LEU 75 73 GLY 76 74 ASP 77 75 ALA 78 76 ALA 79 77 ARG 80 78 ALA 81 79 THR 82 80 GLY 83 81 LEU 84 82 PRO 85 83 GLY 86 84 ALA 87 85 ASP 88 86 LYS 89 87 GLN 90 88 GLY 91 89 VAL 92 90 PHE 93 91 THR 94 92 PRO 95 93 SER 96 94 GLY 97 95 ALA 98 96 GLY 99 97 THR 100 98 ASN 101 99 PRO 102 100 LEU 103 101 TYR 104 102 THR 105 103 GLU 106 104 ILE 107 105 ARG 108 106 LEU 109 107 ARG 110 108 ALA 111 109 ASP 112 110 THR 113 111 LEU 114 112 MET 115 113 GLY 116 114 ALA 117 115 GLU 118 116 LEU 119 117 ALA 120 118 ALA 121 119 ARG 122 120 PRO 123 121 GLU 124 122 TYR 125 123 ARG 126 124 GLU 127 125 LEU 128 126 GLN 129 127 PRO 130 128 TYR 131 129 ALA 132 130 ARG 133 131 GLN 134 132 GLN 135 133 ALA 136 134 ILE 137 135 ASP 138 136 LEU 139 137 VAL 140 138 ALA 141 139 ASN 142 140 ALA 143 141 LEU 144 142 PRO 145 143 ALA 146 144 GLU 147 145 ARG 148 146 SER 149 147 ASN 150 148 THR 151 149 LEU 152 150 VAL 153 151 GLU 154 152 PHE 155 153 ARG 156 154 GLN 157 155 THR 158 156 VAL 159 157 GLN 160 158 THR 161 159 LEU 162 160 GLU 163 161 ALA 164 162 THR 165 163 TYR 166 164 ARG 167 165 ARG 168 166 ALA 169 167 ALA 170 168 GLN 171 169 ASP 172 170 ALA 173 171 SER 174 172 ARG 175 173 ASP 176 174 GLU 177 175 LYS 178 176 GLY 179 177 ALA 180 178 THR 181 179 ASN 182 180 ALA 183 181 ALA 184 182 ASP 185 183 GLY 186 184 ALA 187 185 ALA 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 2JOK "Nmr Structure Of The Catalytic Domain Of Guanine Nucleotide Exchange Factor Bope From Burkholderia Pseudomallei" 99.47 186 100.00 100.00 5.84e-130 PDB 2JOL "Average Nmr Structure Of The Catalytic Domain Of Guanine Nucleotide Exchange Factor Bope From Burkholderia Pseudomallei" 99.47 186 100.00 100.00 5.84e-130 EMBL CAH38998 "putative G-nucleotide exchange factor [Burkholderia pseudomallei K96243]" 98.40 261 100.00 100.00 5.17e-127 EMBL CDU31564 "putative G-nucleotide exchange factor [Burkholderia pseudomallei]" 98.40 261 100.00 100.00 5.17e-127 GB AAU46021 "type III secretion target BopE [Burkholderia mallei ATCC 23344]" 98.40 261 99.46 99.46 2.26e-126 GB ABA53377 "type III secretion target BopE [Burkholderia pseudomallei 1710b]" 98.40 261 100.00 100.00 5.17e-127 GB ABN00329 "type III secretion target BopE [Burkholderia mallei NCTC 10229]" 98.40 261 99.46 99.46 2.26e-126 GB ABN85504 "guanine nucleotide exchange factor SopE [Burkholderia pseudomallei 668]" 98.40 261 100.00 100.00 5.17e-127 GB ABN95087 "guanine nucleotide exchange factor SopE [Burkholderia pseudomallei 1106a]" 98.40 261 99.46 99.46 2.26e-126 REF WP_004188462 "MULTISPECIES: type III secretion system protein [pseudomallei group]" 98.40 261 99.46 99.46 2.26e-126 REF WP_004525325 "type III secretion system protein [Burkholderia pseudomallei]" 98.40 261 99.46 99.46 8.46e-126 REF WP_004528812 "MULTISPECIES: type III secretion system protein [Burkholderia]" 98.40 261 100.00 100.00 5.17e-127 REF WP_004549546 "type III secretion system protein [Burkholderia pseudomallei]" 98.40 261 99.46 99.46 1.34e-125 REF WP_038730375 "type III secretion protein BopE [Burkholderia sp. ABCPW 1]" 98.40 261 100.00 100.00 4.20e-127 SP A2S1Q7 "RecName: Full=Guanine nucleotide exchange factor BopE; AltName: Full=Effector protein BopE [Burkholderia mallei NCTC 10229]" 98.40 261 99.46 99.46 2.26e-126 SP A3MCH6 "RecName: Full=Guanine nucleotide exchange factor BopE; AltName: Full=Effector protein BopE [Burkholderia mallei NCTC 10247]" 98.40 261 99.46 99.46 2.26e-126 SP A3NLC8 "RecName: Full=Guanine nucleotide exchange factor BopE; AltName: Full=Effector protein BopE [Burkholderia pseudomallei 668]" 98.40 261 100.00 100.00 5.17e-127 SP A3P6Z0 "RecName: Full=Guanine nucleotide exchange factor BopE; AltName: Full=Effector protein BopE [Burkholderia pseudomallei 1106a]" 98.40 261 99.46 99.46 2.26e-126 SP Q3JL30 "RecName: Full=Guanine nucleotide exchange factor BopE; AltName: Full=Effector protein BopE [Burkholderia pseudomallei 1710b]" 98.40 261 100.00 100.00 5.17e-127 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $BopE 'Burkholderia pseudomallei' 28450 Bacteria . Burkholderia pseudomallei bope 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 $BopE '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 _Isotopic_labeling $BopE 1.0 mM '[U-95% 13C; U-90% 15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_All_NMR_experiments_were_standard_Varian_pulse_sequences,_1 _Saveframe_category NMR_applied_experiment _Experiment_name 'All NMR experiments were standard Varian pulse sequences,' _Sample_label $sample_1 save_ save_or_part_of_the_Varian_ProteinPack_distribution,_or_were_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'or part of the Varian ProteinPack distribution, or were' _Sample_label $sample_1 save_ save_supplied_by_Prof_Lewis_Kay,_Toronto._3 _Saveframe_category NMR_applied_experiment _Experiment_name 'supplied by Prof Lewis Kay, Toronto.' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_Cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.5 0.2 n/a temperature 298 0.3 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation 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 $Cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'BopE monomer' _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 . 3 THR N N 116.675 0.1 1 2 . 3 THR H H 8.432 0.02 1 3 . 3 THR CA C 63.051 0.2 1 4 . 3 THR HA H 4.367 0.02 1 5 . 3 THR CB C 70.140 0.2 1 6 . 3 THR HB H 4.271 0.02 1 7 . 3 THR CG2 C 22.135 0.2 1 8 . 3 THR HG2 H 1.226 0.02 1 9 . 3 THR C C 175.810 0.2 1 10 . 4 GLY N N 111.640 0.1 1 11 . 4 GLY H H 8.409 0.02 1 12 . 4 GLY CA C 46.257 0.2 1 13 . 4 GLY HA2 H 3.971 0.02 2 14 . 4 GLY C C 174.776 0.2 1 15 . 5 ASP N N 121.354 0.1 1 16 . 5 ASP H H 8.082 0.02 1 17 . 5 ASP CA C 55.104 0.2 1 18 . 5 ASP HA H 4.593 0.02 1 19 . 5 ASP CB C 42.097 0.2 1 20 . 5 ASP HB2 H 2.733 0.02 2 21 . 5 ASP C C 177.736 0.2 1 22 . 6 ALA N N 126.429 0.1 1 23 . 6 ALA H H 8.554 0.02 1 24 . 6 ALA CA C 55.372 0.2 1 25 . 6 ALA HA H 4.231 0.02 1 26 . 6 ALA CB C 18.931 0.2 1 27 . 6 ALA HB H 1.347 0.02 1 28 . 6 ALA C C 179.422 0.2 1 29 . 7 LYS N N 117.594 0.1 1 30 . 7 LYS H H 8.333 0.02 1 31 . 7 LYS CA C 61.669 0.2 1 32 . 7 LYS HA H 3.686 0.02 1 33 . 7 LYS CB C 32.936 0.2 1 34 . 7 LYS HB2 H 1.891 0.02 2 35 . 7 LYS CG C 26.758 0.2 1 36 . 7 LYS HG2 H 1.422 0.02 2 37 . 7 LYS CD C 30.220 0.2 1 38 . 7 LYS HD2 H 1.714 0.02 2 39 . 7 LYS CE C 42.541 0.2 1 40 . 7 LYS HE2 H 2.904 0.02 2 41 . 7 LYS C C 178.882 0.2 1 42 . 8 GLN N N 117.863 0.1 1 43 . 8 GLN H H 7.972 0.02 1 44 . 8 GLN CA C 59.275 0.2 1 45 . 8 GLN HA H 3.938 0.02 1 46 . 8 GLN CB C 29.108 0.2 1 47 . 8 GLN HB2 H 2.046 0.02 2 48 . 8 GLN CG C 34.566 0.2 1 49 . 8 GLN HG3 H 2.418 0.02 2 50 . 8 GLN HG2 H 2.325 0.02 2 51 . 8 GLN C C 179.053 0.2 1 52 . 9 ALA N N 123.555 0.1 1 53 . 9 ALA H H 7.938 0.02 1 54 . 9 ALA CA C 55.791 0.2 1 55 . 9 ALA HA H 4.076 0.02 1 56 . 9 ALA CB C 19.188 0.2 1 57 . 9 ALA HB H 1.563 0.02 1 58 . 9 ALA C C 180.232 0.2 1 59 . 10 ILE N N 118.106 0.1 1 60 . 10 ILE H H 8.527 0.02 1 61 . 10 ILE CA C 67.135 0.2 1 62 . 10 ILE HA H 3.808 0.02 1 63 . 10 ILE CB C 38.870 0.2 1 64 . 10 ILE HB H 2.312 0.02 1 65 . 10 ILE C C 178.525 0.2 1 66 . 11 ARG N N 120.157 0.1 1 67 . 11 ARG H H 8.261 0.02 1 68 . 11 ARG CA C 60.855 0.2 1 69 . 11 ARG HA H 3.671 0.02 1 70 . 11 ARG CB C 30.386 0.2 1 71 . 11 ARG HB2 H 1.805 0.02 2 72 . 11 ARG CG C 28.412 0.2 1 73 . 11 ARG HG3 H 1.517 0.02 2 74 . 11 ARG HG2 H 1.276 0.02 2 75 . 11 ARG CD C 43.582 0.2 1 76 . 11 ARG HD3 H 2.863 0.02 2 77 . 11 ARG HD2 H 2.806 0.02 2 78 . 11 ARG C C 177.757 0.2 1 79 . 12 HIS N N 116.526 0.1 1 80 . 12 HIS H H 7.934 0.02 1 81 . 12 HIS CA C 59.797 0.2 1 82 . 12 HIS HA H 4.420 0.02 1 83 . 12 HIS CB C 28.357 0.2 1 84 . 12 HIS HB3 H 3.241 0.02 2 85 . 12 HIS HB2 H 3.132 0.02 2 86 . 12 HIS C C 178.045 0.2 1 87 . 13 PHE N N 118.562 0.1 1 88 . 13 PHE H H 8.045 0.02 1 89 . 13 PHE CA C 63.172 0.2 1 90 . 13 PHE HA H 4.320 0.02 1 91 . 13 PHE CB C 40.147 0.2 1 92 . 13 PHE HB3 H 3.113 0.02 2 93 . 13 PHE HB2 H 3.208 0.02 2 94 . 13 PHE C C 178.807 0.2 1 95 . 14 VAL N N 121.108 0.1 1 96 . 14 VAL H H 8.694 0.02 1 97 . 14 VAL CA C 68.355 0.2 1 98 . 14 VAL HA H 3.633 0.02 1 99 . 14 VAL CB C 32.096 0.2 1 100 . 14 VAL HB H 2.470 0.02 1 101 . 14 VAL CG2 C 23.800 0.2 1 102 . 14 VAL HG2 H 1.126 0.02 2 103 . 14 VAL CG1 C 21.947 0.2 1 104 . 14 VAL HG1 H 1.038 0.02 2 105 . 14 VAL C C 177.676 0.2 1 106 . 15 ASP N N 120.309 0.1 1 107 . 15 ASP H H 8.805 0.02 1 108 . 15 ASP CA C 58.461 0.2 1 109 . 15 ASP HA H 4.480 0.02 1 110 . 15 ASP CB C 40.352 0.2 1 111 . 15 ASP HB3 H 2.613 0.02 2 112 . 15 ASP HB2 H 2.875 0.02 2 113 . 15 ASP C C 180.500 0.2 1 114 . 16 GLU N N 118.815 0.1 1 115 . 16 GLU H H 7.725 0.02 1 116 . 16 GLU CA C 59.583 0.2 1 117 . 16 GLU HA H 4.046 0.02 1 118 . 16 GLU CB C 29.940 0.2 1 119 . 16 GLU HB3 H 2.031 0.02 2 120 . 16 GLU HB2 H 2.125 0.02 2 121 . 16 GLU CG C 36.479 0.2 1 122 . 16 GLU HG2 H 2.495 0.02 2 123 . 16 GLU C C 178.868 0.2 1 124 . 17 ALA N N 124.101 0.1 1 125 . 17 ALA H H 8.265 0.02 1 126 . 17 ALA CA C 56.437 0.2 1 127 . 17 ALA HA H 3.872 0.02 1 128 . 17 ALA CB C 20.137 0.2 1 129 . 17 ALA HB H 1.670 0.02 1 130 . 17 ALA C C 179.949 0.2 1 131 . 18 VAL N N 118.675 0.1 1 132 . 18 VAL H H 8.862 0.02 1 133 . 18 VAL CA C 67.918 0.2 1 134 . 18 VAL HA H 3.332 0.02 1 135 . 18 VAL CB C 32.376 0.2 1 136 . 18 VAL HB H 2.363 0.02 1 137 . 18 VAL CG2 C 23.800 0.2 1 138 . 18 VAL HG2 H 1.126 0.02 2 139 . 18 VAL CG1 C 21.947 0.2 1 140 . 18 VAL HG1 H 1.038 0.02 2 141 . 18 VAL C C 177.951 0.2 1 142 . 19 LYS N N 118.815 0.1 1 143 . 19 LYS H H 7.725 0.02 1 144 . 19 LYS CA C 60.476 0.2 1 145 . 19 LYS HA H 4.001 0.02 1 146 . 19 LYS CB C 33.240 0.2 1 147 . 19 LYS HB2 H 1.937 0.02 2 148 . 19 LYS CG C 25.724 0.2 1 149 . 19 LYS HG2 H 1.583 0.02 2 150 . 19 LYS CD C 30.280 0.2 1 151 . 19 LYS HD2 H 1.692 0.02 2 152 . 19 LYS CE C 40.704 0.2 1 153 . 19 LYS HE2 H 2.253 0.02 2 154 . 19 LYS C C 180.537 0.2 1 155 . 20 GLN N N 119.321 0.1 1 156 . 20 GLN H H 8.159 0.02 1 157 . 20 GLN CA C 60.024 0.2 1 158 . 20 GLN HA H 4.073 0.02 1 159 . 20 GLN CB C 28.992 0.2 1 160 . 20 GLN HB2 H 2.130 0.02 2 161 . 20 GLN CG C 34.460 0.2 1 162 . 20 GLN HG2 H 2.860 0.02 2 163 . 20 GLN C C 180.823 0.2 1 164 . 21 VAL N N 123.171 0.1 1 165 . 21 VAL H H 8.718 0.02 1 166 . 21 VAL CA C 67.382 0.2 1 167 . 21 VAL HA H 3.762 0.02 1 168 . 21 VAL CB C 32.276 0.2 1 169 . 21 VAL HB H 1.995 0.02 1 170 . 21 VAL CG2 C 23.696 0.2 1 171 . 21 VAL HG2 H 1.044 0.02 2 172 . 21 VAL CG1 C 22.188 0.2 1 173 . 21 VAL HG1 H 0.946 0.02 2 174 . 21 VAL C C 178.713 0.2 1 175 . 22 ALA N N 123.621 0.1 1 176 . 22 ALA H H 9.461 0.02 1 177 . 22 ALA CA C 56.693 0.2 1 178 . 22 ALA HA H 3.881 0.02 1 179 . 22 ALA CB C 18.981 0.2 1 180 . 22 ALA HB H 1.550 0.02 1 181 . 22 ALA C C 182.100 0.2 1 182 . 23 HIS N N 118.028 0.1 1 183 . 23 HIS H H 8.290 0.02 1 184 . 23 HIS CA C 59.476 0.2 1 185 . 23 HIS HA H 4.330 0.02 1 186 . 23 HIS CB C 29.650 0.2 1 187 . 23 HIS HB2 H 3.339 0.02 2 188 . 23 HIS C C 176.978 0.2 1 189 . 24 ALA N N 118.808 0.1 1 190 . 24 ALA H H 7.561 0.02 1 191 . 24 ALA CA C 54.982 0.2 1 192 . 24 ALA HA H 4.250 0.02 1 193 . 24 ALA CB C 20.452 0.2 1 194 . 24 ALA HB H 1.562 0.02 1 195 . 24 ALA C C 180.502 0.2 1 196 . 25 ARG N N 111.720 0.1 1 197 . 25 ARG H H 8.916 0.02 1 198 . 25 ARG CA C 56.260 0.2 1 199 . 25 ARG HA H 4.516 0.02 1 200 . 25 ARG CB C 32.530 0.2 1 201 . 25 ARG HB3 H 2.004 0.02 2 202 . 25 ARG HB2 H 1.839 0.02 2 203 . 25 ARG CG C 27.595 0.2 1 204 . 25 ARG HG2 H 1.568 0.02 2 205 . 25 ARG CD C 43.870 0.2 1 206 . 25 ARG HD2 H 3.270 0.02 2 207 . 25 ARG C C 178.775 0.2 1 208 . 26 THR N N 116.906 0.1 1 209 . 26 THR H H 8.245 0.02 1 210 . 26 THR CA C 70.980 0.2 1 211 . 26 THR HA H 3.937 0.02 1 212 . 26 THR CB C 67.184 0.2 1 213 . 26 THR HB H 4.508 0.02 1 214 . 26 THR CG2 C 22.185 0.2 1 215 . 26 THR HG2 H 1.236 0.02 1 216 . 26 THR C C 173.678 0.2 1 217 . 27 PRO CA C 66.573 0.2 1 218 . 27 PRO HA H 4.275 0.02 1 219 . 27 PRO CB C 31.452 0.2 1 220 . 27 PRO HB2 H 2.335 0.02 2 221 . 27 PRO CG C 29.186 0.2 1 222 . 27 PRO HG2 H 2.082 0.02 2 223 . 28 GLU N N 116.510 0.1 1 224 . 28 GLU H H 6.666 0.02 1 225 . 28 GLU CA C 59.634 0.2 1 226 . 28 GLU HA H 4.089 0.02 1 227 . 28 GLU CB C 30.900 0.2 1 228 . 28 GLU HB3 H 2.137 0.02 2 229 . 28 GLU HB2 H 2.005 0.02 2 230 . 28 GLU CG C 36.768 0.2 1 231 . 28 GLU HG2 H 2.359 0.02 2 232 . 28 GLU C C 179.025 0.2 1 233 . 29 ILE N N 119.072 0.1 1 234 . 29 ILE H H 8.163 0.02 1 235 . 29 ILE CA C 66.211 0.2 1 236 . 29 ILE HA H 3.561 0.02 1 237 . 29 ILE CB C 38.747 0.2 1 238 . 29 ILE HB H 1.954 0.02 1 239 . 29 ILE C C 176.773 0.2 1 240 . 30 ARG N N 115.364 0.1 1 241 . 30 ARG H H 7.703 0.02 1 242 . 30 ARG CA C 59.305 0.2 1 243 . 30 ARG HA H 4.126 0.02 1 244 . 30 ARG CB C 31.746 0.2 1 245 . 30 ARG HB2 H 1.856 0.02 2 246 . 30 ARG CG C 28.836 0.2 1 247 . 30 ARG HG3 H 1.827 0.02 2 248 . 30 ARG HG2 H 1.721 0.02 2 249 . 30 ARG CD C 44.262 0.2 1 250 . 30 ARG HD2 H 3.186 0.02 2 251 . 30 ARG C C 178.927 0.2 1 252 . 31 GLN N N 115.435 0.1 1 253 . 31 GLN H H 7.900 0.02 1 254 . 31 GLN CA C 57.452 0.2 1 255 . 31 GLN HA H 4.347 0.02 1 256 . 31 GLN CB C 30.980 0.2 1 257 . 31 GLN HB2 H 2.137 0.02 2 258 . 31 GLN CG C 35.011 0.2 1 259 . 31 GLN HG2 H 2.478 0.02 2 260 . 31 GLN C C 176.361 0.2 1 261 . 32 ASP N N 121.315 0.1 1 262 . 32 ASP H H 8.114 0.02 1 263 . 32 ASP CA C 53.734 0.2 1 264 . 32 ASP HA H 4.707 0.02 1 265 . 32 ASP CB C 39.713 0.2 1 266 . 32 ASP HB3 H 2.781 0.02 2 267 . 32 ASP HB2 H 2.831 0.02 2 268 . 32 ASP C C 175.369 0.2 1 269 . 33 ALA N N 125.057 0.1 1 270 . 33 ALA H H 8.223 0.02 1 271 . 33 ALA CA C 53.332 0.2 1 272 . 33 ALA HA H 4.274 0.02 1 273 . 33 ALA CB C 19.815 0.2 1 274 . 33 ALA HB H 1.379 0.02 1 275 . 33 ALA C C 178.190 0.2 1 276 . 34 GLU N N 123.498 0.1 1 277 . 34 GLU H H 8.289 0.02 1 278 . 34 GLU CA C 53.241 0.2 1 279 . 34 GLU HA H 4.310 0.02 1 280 . 34 GLU CB C 33.010 0.2 1 281 . 34 GLU HB2 H 1.366 0.02 2 282 . 34 GLU C C 178.203 0.2 1 283 . 35 PHE N N 119.435 0.1 1 284 . 35 PHE H H 8.177 0.02 1 285 . 35 PHE CA C 61.290 0.2 1 286 . 35 PHE HA H 4.447 0.02 1 287 . 35 PHE CB C 39.491 0.2 1 288 . 35 PHE HB3 H 3.266 0.02 2 289 . 35 PHE HB2 H 2.974 0.02 2 290 . 35 PHE C C 178.750 0.2 1 291 . 36 GLY N N 105.115 0.1 1 292 . 36 GLY H H 9.079 0.02 1 293 . 36 GLY CA C 48.609 0.2 1 294 . 36 GLY HA3 H 3.583 0.02 2 295 . 36 GLY HA2 H 4.010 0.02 2 296 . 36 GLY C C 176.247 0.2 1 297 . 37 ARG N N 122.620 0.1 1 298 . 37 ARG H H 7.944 0.02 1 299 . 37 ARG CA C 60.947 0.2 1 300 . 37 ARG HA H 3.968 0.02 1 301 . 37 ARG CB C 30.488 0.2 1 302 . 37 ARG HB2 H 2.159 0.02 2 303 . 37 ARG CG C 33.239 0.2 1 304 . 37 ARG HG2 H 1.671 0.02 2 305 . 37 ARG CD C 43.549 0.2 1 306 . 37 ARG HD2 H 3.167 0.02 2 307 . 37 ARG C C 178.737 0.2 1 308 . 38 GLN N N 119.517 0.1 1 309 . 38 GLN H H 8.187 0.02 1 310 . 38 GLN CA C 60.024 0.2 1 311 . 38 GLN HA H 4.045 0.02 1 312 . 38 GLN CB C 29.024 0.2 1 313 . 38 GLN HB3 H 2.310 0.02 2 314 . 38 GLN HB2 H 2.123 0.02 2 315 . 38 GLN CG C 34.611 0.2 1 316 . 38 GLN HG3 H 2.645 0.02 2 317 . 38 GLN HG2 H 2.367 0.02 2 318 . 38 GLN C C 180.930 0.2 1 319 . 39 VAL N N 118.005 0.1 1 320 . 39 VAL H H 8.615 0.02 1 321 . 39 VAL CA C 66.375 0.2 1 322 . 39 VAL HA H 3.786 0.02 1 323 . 39 VAL CB C 31.976 0.2 1 324 . 39 VAL HB H 1.894 0.02 1 325 . 39 VAL CG2 C 23.171 0.2 1 326 . 39 VAL HG2 H 0.676 0.02 2 327 . 39 VAL CG1 C 22.884 0.2 1 328 . 39 VAL HG1 H 0.600 0.02 2 329 . 39 VAL C C 179.563 0.2 1 330 . 40 TYR N N 126.859 0.1 1 331 . 40 TYR H H 8.508 0.02 1 332 . 40 TYR CA C 62.156 0.2 1 333 . 40 TYR HA H 4.066 0.02 1 334 . 40 TYR CB C 39.187 0.2 1 335 . 40 TYR HB3 H 3.431 0.02 2 336 . 40 TYR HB2 H 3.170 0.02 2 337 . 40 TYR C C 176.578 0.2 1 338 . 41 GLU N N 119.059 0.1 1 339 . 41 GLU H H 8.583 0.02 1 340 . 41 GLU CA C 60.984 0.2 1 341 . 41 GLU HA H 3.501 0.02 1 342 . 41 GLU CB C 30.040 0.2 1 343 . 41 GLU HB2 H 2.001 0.02 2 344 . 41 GLU CG C 38.287 0.2 1 345 . 41 GLU HG2 H 2.079 0.02 2 346 . 41 GLU C C 179.697 0.2 1 347 . 42 ALA N N 120.087 0.1 1 348 . 42 ALA H H 8.240 0.02 1 349 . 42 ALA CA C 55.570 0.2 1 350 . 42 ALA HA H 4.251 0.02 1 351 . 42 ALA CB C 19.355 0.2 1 352 . 42 ALA HB H 1.570 0.02 1 353 . 42 ALA C C 181.253 0.2 1 354 . 43 THR N N 117.259 0.1 1 355 . 43 THR H H 8.169 0.02 1 356 . 43 THR CA C 68.654 0.2 1 357 . 43 THR HA H 3.889 0.02 1 358 . 43 THR CB C 68.167 0.2 1 359 . 43 THR HB H 4.278 0.02 1 360 . 43 THR CG2 C 24.205 0.2 1 361 . 43 THR HG2 H 1.336 0.02 1 362 . 43 THR C C 176.922 0.2 1 363 . 44 LEU N N 123.098 0.1 1 364 . 44 LEU H H 8.095 0.02 1 365 . 44 LEU CA C 59.698 0.2 1 366 . 44 LEU HA H 4.032 0.02 1 367 . 44 LEU CB C 43.418 0.2 1 368 . 44 LEU HB2 H 0.950 0.02 2 369 . 44 LEU CD1 C 24.688 0.2 1 370 . 44 LEU HD1 H 0.542 0.02 2 371 . 44 LEU CD2 C 25.576 0.2 1 372 . 44 LEU HD2 H 0.276 0.02 2 373 . 44 LEU C C 179.966 0.2 1 374 . 45 CYS N N 116.278 0.1 1 375 . 45 CYS H H 8.170 0.02 1 376 . 45 CYS CA C 65.120 0.2 1 377 . 45 CYS HA H 3.940 0.02 1 378 . 45 CYS CB C 27.442 0.2 1 379 . 45 CYS HB2 H 2.740 0.02 2 380 . 45 CYS C C 177.425 0.2 1 381 . 46 ALA N N 125.558 0.1 1 382 . 46 ALA H H 8.380 0.02 1 383 . 46 ALA CA C 55.958 0.2 1 384 . 46 ALA HA H 4.355 0.02 1 385 . 46 ALA CB C 19.095 0.2 1 386 . 46 ALA HB H 1.613 0.02 1 387 . 46 ALA C C 180.348 0.2 1 388 . 47 ILE N N 120.732 0.1 1 389 . 47 ILE H H 8.273 0.02 1 390 . 47 ILE CA C 66.167 0.2 1 391 . 47 ILE HA H 3.730 0.02 1 392 . 47 ILE CB C 39.100 0.2 1 393 . 47 ILE HB H 2.296 0.02 1 394 . 47 ILE C C 179.391 0.2 1 395 . 48 PHE N N 119.900 0.1 1 396 . 48 PHE H H 8.110 0.02 1 397 . 48 PHE CA C 62.620 0.2 1 398 . 48 PHE HA H 4.017 0.02 1 399 . 48 PHE CB C 40.206 0.2 1 400 . 48 PHE HB2 H 3.116 0.02 2 401 . 48 PHE C C 175.871 0.2 1 402 . 49 SER N N 116.567 0.1 1 403 . 49 SER H H 9.125 0.02 1 404 . 49 SER CA C 62.936 0.2 1 405 . 49 SER HA H 3.902 0.02 1 406 . 49 SER CB C 63.937 0.2 1 407 . 49 SER HB2 H 4.072 0.02 2 408 . 49 SER C C 176.901 0.2 1 409 . 50 GLU N N 121.191 0.1 1 410 . 50 GLU H H 8.624 0.02 1 411 . 50 GLU CA C 59.748 0.2 1 412 . 50 GLU HA H 4.002 0.02 1 413 . 50 GLU CB C 30.026 0.2 1 414 . 50 GLU HB3 H 2.071 0.02 2 415 . 50 GLU HB2 H 2.017 0.02 2 416 . 50 GLU CG C 37.301 0.2 1 417 . 50 GLU HG3 H 2.389 0.02 2 418 . 50 GLU HG2 H 2.282 0.02 2 419 . 50 GLU C C 179.738 0.2 1 420 . 51 ALA N N 121.156 0.1 1 421 . 51 ALA H H 7.371 0.02 1 422 . 51 ALA CA C 55.669 0.2 1 423 . 51 ALA HA H 4.104 0.02 1 424 . 51 ALA CB C 20.019 0.2 1 425 . 51 ALA HB H 1.412 0.02 1 426 . 51 ALA C C 179.730 0.2 1 427 . 52 LYS N N 118.751 0.1 1 428 . 52 LYS H H 8.008 0.02 1 429 . 52 LYS CA C 61.691 0.2 1 430 . 52 LYS HA H 3.792 0.02 1 431 . 52 LYS CB C 32.582 0.2 1 432 . 52 LYS HB2 H 2.143 0.02 2 433 . 52 LYS CG C 26.039 0.2 1 434 . 52 LYS HG2 H 1.387 0.02 2 435 . 52 LYS CD C 30.790 0.2 1 436 . 52 LYS CE C 40.941 0.2 1 437 . 52 LYS HE2 H 2.359 0.02 2 438 . 52 LYS C C 178.713 0.2 1 439 . 53 ASP N N 118.618 0.1 1 440 . 53 ASP H H 8.174 0.02 1 441 . 53 ASP CA C 57.936 0.2 1 442 . 53 ASP HA H 4.290 0.02 1 443 . 53 ASP CB C 40.828 0.2 1 444 . 53 ASP HB3 H 2.647 0.02 2 445 . 53 ASP HB2 H 2.575 0.02 2 446 . 53 ASP C C 178.738 0.2 1 447 . 54 ARG N N 119.047 0.1 1 448 . 54 ARG H H 8.113 0.02 1 449 . 54 ARG CA C 59.926 0.2 1 450 . 54 ARG HA H 3.930 0.02 1 451 . 54 ARG CB C 31.017 0.2 1 452 . 54 ARG HB2 H 1.913 0.02 2 453 . 54 ARG CG C 28.140 0.2 1 454 . 54 ARG HG2 H 1.533 0.02 2 455 . 54 ARG CD C 44.057 0.2 1 456 . 54 ARG HD2 H 2.357 0.02 2 457 . 54 ARG C C 179.546 0.2 1 458 . 55 PHE N N 119.117 0.1 1 459 . 55 PHE H H 8.185 0.02 1 460 . 55 PHE CA C 62.830 0.2 1 461 . 55 PHE HA H 3.869 0.02 1 462 . 55 PHE CB C 42.528 0.2 1 463 . 55 PHE HB3 H 2.936 0.02 2 464 . 55 PHE HB2 H 2.802 0.02 2 465 . 55 PHE C C 179.044 0.2 1 466 . 56 CYS N N 113.819 0.1 1 467 . 56 CYS H H 8.310 0.02 1 468 . 56 CYS CA C 63.026 0.2 1 469 . 56 CYS HA H 3.998 0.02 1 470 . 56 CYS CB C 28.111 0.2 1 471 . 56 CYS HB3 H 3.090 0.02 2 472 . 56 CYS HB2 H 3.051 0.02 2 473 . 56 CYS C C 174.675 0.2 1 474 . 57 MET N N 114.973 0.1 1 475 . 57 MET H H 7.488 0.02 1 476 . 57 MET CA C 55.582 0.2 1 477 . 57 MET HA H 4.493 0.02 1 478 . 57 MET CB C 33.286 0.2 1 479 . 57 MET HB2 H 2.095 0.02 2 480 . 57 MET CG C 33.164 0.2 1 481 . 57 MET HG2 H 2.606 0.02 2 482 . 57 MET C C 176.585 0.2 1 483 . 58 ASP N N 122.962 0.1 1 484 . 58 ASP H H 6.713 0.02 1 485 . 58 ASP CA C 51.719 0.2 1 486 . 58 ASP HA H 4.753 0.02 1 487 . 58 ASP CB C 42.899 0.2 1 488 . 58 ASP HB2 H 2.913 0.02 2 489 . 58 ASP C C 176.072 0.2 1 490 . 59 PRO CA C 65.225 0.2 1 491 . 59 PRO HA H 4.140 0.02 1 492 . 59 PRO CB C 32.663 0.2 1 493 . 59 PRO HB2 H 1.956 0.02 2 494 . 59 PRO CG C 27.961 0.2 1 495 . 59 PRO HG2 H 2.018 0.02 2 496 . 59 PRO CD C 51.899 0.2 1 497 . 59 PRO HD2 H 2.345 0.02 2 498 . 60 ALA N N 119.472 0.1 1 499 . 60 ALA H H 8.521 0.02 1 500 . 60 ALA CA C 54.435 0.2 1 501 . 60 ALA HA H 4.183 0.02 1 502 . 60 ALA CB C 19.649 0.2 1 503 . 60 ALA HB H 1.312 0.02 1 504 . 60 ALA C C 180.269 0.2 1 505 . 61 THR N N 106.755 0.1 1 506 . 61 THR H H 7.929 0.02 1 507 . 61 THR CA C 61.188 0.2 1 508 . 61 THR HA H 4.134 0.02 1 509 . 61 THR CB C 69.492 0.2 1 510 . 61 THR HB H 4.100 0.02 1 511 . 61 THR CG2 C 20.523 0.2 1 512 . 61 THR HG2 H -0.021 0.02 1 513 . 61 THR C C 173.844 0.2 1 514 . 62 ARG N N 120.495 0.1 1 515 . 62 ARG H H 7.053 0.02 1 516 . 62 ARG CA C 58.882 0.2 1 517 . 62 ARG HA H 3.824 0.02 1 518 . 62 ARG CB C 31.451 0.2 1 519 . 62 ARG HB2 H 1.836 0.02 2 520 . 62 ARG CG C 27.945 0.2 1 521 . 62 ARG HG3 H 1.862 0.02 2 522 . 62 ARG HG2 H 1.673 0.02 2 523 . 62 ARG CD C 44.350 0.2 1 524 . 62 ARG HD2 H 3.231 0.02 2 525 . 62 ARG C C 176.510 0.2 1 526 . 63 ALA N N 122.664 0.1 1 527 . 63 ALA H H 7.701 0.02 1 528 . 63 ALA CA C 53.018 0.2 1 529 . 63 ALA HA H 4.352 0.02 1 530 . 63 ALA CB C 21.086 0.2 1 531 . 63 ALA HB H 1.340 0.02 1 532 . 63 ALA C C 177.882 0.2 1 533 . 64 GLY N N 106.296 0.1 1 534 . 64 GLY H H 8.541 0.02 1 535 . 64 GLY CA C 47.095 0.2 1 536 . 64 GLY HA2 H 3.836 0.02 2 537 . 64 GLY C C 175.251 0.2 1 538 . 65 ASN N N 120.124 0.1 1 539 . 65 ASN H H 8.816 0.02 1 540 . 65 ASN CA C 53.854 0.2 1 541 . 65 ASN HA H 4.823 0.02 1 542 . 65 ASN CB C 39.195 0.2 1 543 . 65 ASN HB3 H 3.091 0.02 2 544 . 65 ASN HB2 H 2.744 0.02 2 545 . 65 ASN C C 176.423 0.2 1 546 . 66 VAL N N 115.810 0.1 1 547 . 66 VAL H H 7.496 0.02 1 548 . 66 VAL CA C 66.075 0.2 1 549 . 66 VAL HA H 4.197 0.02 1 550 . 66 VAL CB C 32.971 0.2 1 551 . 66 VAL HB H 2.546 0.02 1 552 . 66 VAL CG2 C 22.488 0.2 1 553 . 66 VAL HG2 H 1.302 0.02 2 554 . 66 VAL C C 178.397 0.2 1 555 . 67 ARG N N 120.104 0.1 1 556 . 67 ARG H H 9.320 0.02 1 557 . 67 ARG CA C 63.288 0.2 1 558 . 67 ARG HA H 4.465 0.02 1 559 . 67 ARG CB C 28.450 0.2 1 560 . 67 ARG HB2 H 2.143 0.02 2 561 . 67 ARG C C 175.784 0.2 1 562 . 68 PRO CA C 66.653 0.2 1 563 . 68 PRO HA H 4.226 0.02 1 564 . 68 PRO CB C 31.295 0.2 1 565 . 68 PRO HB2 H 2.345 0.02 2 566 . 68 PRO CG C 28.959 0.2 1 567 . 68 PRO HG2 H 1.800 0.02 2 568 . 69 ALA N N 121.028 0.1 1 569 . 69 ALA H H 7.243 0.02 1 570 . 69 ALA CA C 55.632 0.2 1 571 . 69 ALA HA H 4.160 0.02 1 572 . 69 ALA CB C 19.417 0.2 1 573 . 69 ALA HB H 1.627 0.02 1 574 . 69 ALA C C 180.444 0.2 1 575 . 70 PHE N N 121.949 0.1 1 576 . 70 PHE H H 8.519 0.02 1 577 . 70 PHE CA C 61.384 0.2 1 578 . 70 PHE HA H 2.924 0.02 1 579 . 70 PHE CB C 39.713 0.2 1 580 . 70 PHE HB2 H 2.182 0.02 2 581 . 70 PHE C C 176.543 0.2 1 582 . 71 ILE N N 119.288 0.1 1 583 . 71 ILE H H 8.372 0.02 1 584 . 71 ILE CA C 65.864 0.2 1 585 . 71 ILE HA H 3.070 0.02 1 586 . 71 ILE CB C 38.388 0.2 1 587 . 71 ILE HB H 1.850 0.02 1 588 . 71 ILE C C 179.966 0.2 1 589 . 72 GLU N N 122.667 0.1 1 590 . 72 GLU H H 8.016 0.02 1 591 . 72 GLU CA C 60.388 0.2 1 592 . 72 GLU HA H 4.021 0.02 1 593 . 72 GLU CB C 30.005 0.2 1 594 . 72 GLU HB2 H 2.118 0.02 2 595 . 72 GLU CG C 36.382 0.2 1 596 . 72 GLU HG2 H 2.399 0.02 2 597 . 72 GLU C C 178.887 0.2 1 598 . 73 ALA N N 124.209 0.1 1 599 . 73 ALA H H 7.915 0.02 1 600 . 73 ALA CA C 55.858 0.2 1 601 . 73 ALA HA H 4.182 0.02 1 602 . 73 ALA CB C 19.298 0.2 1 603 . 73 ALA HB H 1.447 0.02 1 604 . 73 ALA C C 181.500 0.2 1 605 . 74 LEU N N 123.031 0.1 1 606 . 74 LEU H H 9.039 0.02 1 607 . 74 LEU CA C 58.192 0.2 1 608 . 74 LEU HA H 3.708 0.02 1 609 . 74 LEU CB C 42.364 0.2 1 610 . 74 LEU HB3 H 1.444 0.02 2 611 . 74 LEU HB2 H 1.376 0.02 2 612 . 74 LEU CD1 C 25.159 0.2 1 613 . 74 LEU HD1 H 0.565 0.02 2 614 . 74 LEU CD2 C 26.081 0.2 1 615 . 74 LEU HD2 H 0.196 0.02 2 616 . 74 LEU C C 180.163 0.2 1 617 . 75 GLY N N 107.780 0.1 1 618 . 75 GLY H H 8.358 0.02 1 619 . 75 GLY CA C 49.267 0.2 1 620 . 75 GLY HA3 H 4.414 0.02 2 621 . 75 GLY HA2 H 4.024 0.02 2 622 . 75 GLY C C 176.300 0.2 1 623 . 76 ASP N N 123.722 0.1 1 624 . 76 ASP H H 8.304 0.02 1 625 . 76 ASP CA C 57.919 0.2 1 626 . 76 ASP HA H 4.369 0.02 1 627 . 76 ASP CB C 40.992 0.2 1 628 . 76 ASP HB3 H 2.825 0.02 2 629 . 76 ASP HB2 H 2.678 0.02 2 630 . 76 ASP C C 179.944 0.2 1 631 . 77 ALA N N 123.745 0.1 1 632 . 77 ALA H H 7.980 0.02 1 633 . 77 ALA CA C 55.388 0.2 1 634 . 77 ALA HA H 4.288 0.02 1 635 . 77 ALA CB C 18.111 0.2 1 636 . 77 ALA HB H 1.605 0.02 1 637 . 77 ALA C C 180.931 0.2 1 638 . 78 ALA N N 121.598 0.1 1 639 . 78 ALA H H 8.694 0.02 1 640 . 78 ALA CA C 55.228 0.2 1 641 . 78 ALA HA H 3.898 0.02 1 642 . 78 ALA CB C 18.756 0.2 1 643 . 78 ALA HB H 1.525 0.02 1 644 . 78 ALA C C 180.279 0.2 1 645 . 79 ARG N N 122.790 0.1 1 646 . 79 ARG H H 8.712 0.02 1 647 . 79 ARG CA C 59.817 0.2 1 648 . 79 ARG HA H 2.806 0.02 1 649 . 79 ARG CB C 30.431 0.2 1 650 . 79 ARG HB2 H 1.449 0.02 2 651 . 79 ARG CG C 27.413 0.2 1 652 . 79 ARG HG2 H 0.829 0.02 2 653 . 79 ARG CD C 43.931 0.2 1 654 . 79 ARG HD3 H 2.952 0.02 2 655 . 79 ARG HD2 H 2.833 0.02 2 656 . 79 ARG C C 180.612 0.2 1 657 . 80 ALA N N 120.568 0.1 1 658 . 80 ALA H H 7.452 0.02 1 659 . 80 ALA CA C 54.827 0.2 1 660 . 80 ALA HA H 4.076 0.02 1 661 . 80 ALA CB C 19.081 0.2 1 662 . 80 ALA HB H 1.496 0.02 1 663 . 80 ALA C C 179.167 0.2 1 664 . 81 THR N N 108.940 0.1 1 665 . 81 THR H H 7.259 0.02 1 666 . 81 THR CA C 64.114 0.2 1 667 . 81 THR HA H 4.161 0.02 1 668 . 81 THR CB C 70.975 0.2 1 669 . 81 THR HB H 3.898 0.02 1 670 . 81 THR CG2 C 21.950 0.2 1 671 . 81 THR HG2 H 0.884 0.02 1 672 . 81 THR C C 176.236 0.2 1 673 . 82 GLY N N 108.451 0.1 1 674 . 82 GLY H H 7.574 0.02 1 675 . 82 GLY CA C 45.581 0.2 1 676 . 82 GLY HA3 H 4.209 0.02 2 677 . 82 GLY HA2 H 3.638 0.02 2 678 . 82 GLY C C 175.019 0.2 1 679 . 83 LEU N N 123.274 0.1 1 680 . 83 LEU H H 7.083 0.02 1 681 . 83 LEU CA C 54.573 0.2 1 682 . 83 LEU HA H 4.159 0.02 1 683 . 83 LEU CB C 43.611 0.2 1 684 . 83 LEU HB2 H 1.416 0.02 2 685 . 83 LEU CD1 C 25.372 0.2 1 686 . 83 LEU HD1 H 0.629 0.02 2 687 . 83 LEU HD2 H 0.818 0.02 2 688 . 83 LEU C C 175.000 0.2 1 689 . 84 PRO CA C 63.037 0.2 1 690 . 84 PRO HA H 4.607 0.02 1 691 . 84 PRO CB C 32.626 0.2 1 692 . 84 PRO HB2 H 2.247 0.02 2 693 . 84 PRO CG C 28.389 0.2 1 694 . 84 PRO HG2 H 2.037 0.02 2 695 . 84 PRO CD C 51.300 0.2 1 696 . 84 PRO HD2 H 2.257 0.02 2 697 . 85 GLY N N 109.785 0.1 1 698 . 85 GLY H H 8.271 0.02 1 699 . 85 GLY CA C 47.176 0.2 1 700 . 85 GLY HA3 H 3.605 0.02 2 701 . 85 GLY HA2 H 3.821 0.02 2 702 . 85 GLY C C 171.181 0.2 1 703 . 86 ALA N N 120.966 0.1 1 704 . 86 ALA H H 7.110 0.02 1 705 . 86 ALA CA C 51.221 0.2 1 706 . 86 ALA HA H 4.587 0.02 1 707 . 86 ALA CB C 22.941 0.2 1 708 . 86 ALA HB H 1.216 0.02 1 709 . 86 ALA C C 175.795 0.2 1 710 . 87 ASP N N 121.945 0.1 1 711 . 87 ASP H H 8.534 0.02 1 712 . 87 ASP CA C 54.288 0.2 1 713 . 87 ASP HA H 5.016 0.02 1 714 . 87 ASP CB C 43.660 0.2 1 715 . 87 ASP HB2 H 2.431 0.02 2 716 . 87 ASP C C 176.900 0.2 1 717 . 88 LYS N N 124.755 0.1 1 718 . 88 LYS H H 8.501 0.02 1 719 . 88 LYS CA C 56.293 0.2 1 720 . 88 LYS HA H 4.473 0.02 1 721 . 88 LYS CB C 34.706 0.2 1 722 . 88 LYS HB3 H 1.756 0.02 2 723 . 88 LYS HB2 H 1.677 0.02 2 724 . 88 LYS CG C 25.405 0.2 1 725 . 88 LYS HG3 H 1.366 0.02 2 726 . 88 LYS HG2 H 1.232 0.02 2 727 . 88 LYS CD C 29.892 0.2 1 728 . 88 LYS HD3 H 1.761 0.02 2 729 . 88 LYS HD2 H 1.653 0.02 2 730 . 88 LYS CE C 42.802 0.2 1 731 . 88 LYS HE2 H 2.922 0.02 2 732 . 88 LYS C C 176.769 0.2 1 733 . 89 GLN N N 125.879 0.1 1 734 . 89 GLN H H 9.370 0.02 1 735 . 89 GLN CA C 57.331 0.2 1 736 . 89 GLN HA H 3.875 0.02 1 737 . 89 GLN CB C 28.029 0.2 1 738 . 89 GLN HB3 H 2.283 0.02 2 739 . 89 GLN HB2 H 2.024 0.02 2 740 . 89 GLN CG C 35.384 0.2 1 741 . 89 GLN HG2 H 2.329 0.02 2 742 . 89 GLN C C 176.236 0.2 1 743 . 90 GLY N N 104.988 0.1 1 744 . 90 GLY H H 8.567 0.02 1 745 . 90 GLY CA C 45.930 0.2 1 746 . 90 GLY HA3 H 3.640 0.02 2 747 . 90 GLY HA2 H 4.192 0.02 2 748 . 90 GLY C C 174.604 0.2 1 749 . 91 VAL N N 120.359 0.1 1 750 . 91 VAL H H 7.545 0.02 1 751 . 91 VAL CA C 61.699 0.2 1 752 . 91 VAL HA H 4.432 0.02 1 753 . 91 VAL CB C 34.585 0.2 1 754 . 91 VAL HB H 2.054 0.02 1 755 . 91 VAL CG1 C 22.208 0.2 1 756 . 91 VAL HG1 H 0.848 0.02 2 757 . 91 VAL C C 176.538 0.2 1 758 . 92 PHE N N 132.558 0.1 1 759 . 92 PHE H H 9.149 0.02 1 760 . 92 PHE CA C 59.483 0.2 1 761 . 92 PHE HA H 4.665 0.02 1 762 . 92 PHE CB C 39.767 0.2 1 763 . 92 PHE HB3 H 2.904 0.02 2 764 . 92 PHE HB2 H 2.699 0.02 2 765 . 92 PHE C C 175.263 0.2 1 766 . 93 THR N N 124.081 0.1 1 767 . 93 THR H H 7.784 0.02 1 768 . 93 THR CA C 59.551 0.2 1 769 . 93 THR HA H 4.378 0.02 1 770 . 93 THR CB C 71.528 0.2 1 771 . 93 THR HB H 3.714 0.02 1 772 . 93 THR CG2 C 20.940 0.2 1 773 . 93 THR HG2 H 1.092 0.02 1 774 . 93 THR C C 172.530 0.2 1 775 . 94 PRO CA C 62.690 0.2 1 776 . 94 PRO HA H 4.310 0.02 1 777 . 94 PRO CB C 33.238 0.2 1 778 . 94 PRO HB2 H 2.081 0.02 2 779 . 94 PRO CG C 27.409 0.2 1 780 . 94 PRO HG2 H 0.958 0.02 2 781 . 95 SER N N 120.304 0.1 1 782 . 95 SER H H 8.647 0.02 1 783 . 95 SER CA C 59.547 0.2 1 784 . 95 SER HA H 4.226 0.02 1 785 . 95 SER CB C 64.226 0.2 1 786 . 95 SER HB2 H 3.688 0.02 2 787 . 95 SER C C 176.054 0.2 1 788 . 96 GLY N N 110.431 0.1 1 789 . 96 GLY H H 8.689 0.02 1 790 . 96 GLY CA C 45.788 0.2 1 791 . 96 GLY HA2 H 3.980 0.02 2 792 . 96 GLY C C 174.362 0.2 1 793 . 97 ALA N N 122.724 0.1 1 794 . 97 ALA H H 7.854 0.02 1 795 . 97 ALA CA C 53.654 0.2 1 796 . 97 ALA HA H 4.198 0.02 1 797 . 97 ALA CB C 19.889 0.2 1 798 . 97 ALA HB H 1.426 0.02 1 799 . 97 ALA C C 178.756 0.2 1 800 . 98 GLY N N 108.785 0.1 1 801 . 98 GLY H H 8.550 0.02 1 802 . 98 GLY CA C 46.374 0.2 1 803 . 98 GLY HA3 H 4.046 0.02 2 804 . 98 GLY HA2 H 3.858 0.02 2 805 . 98 GLY C C 174.410 0.2 1 806 . 99 THR N N 115.473 0.1 1 807 . 99 THR H H 7.633 0.02 1 808 . 99 THR CA C 62.234 0.2 1 809 . 99 THR HA H 4.374 0.02 1 810 . 99 THR CB C 70.914 0.2 1 811 . 99 THR HB H 3.966 0.02 1 812 . 99 THR CG2 C 22.423 0.2 1 813 . 99 THR HG2 H 1.184 0.02 1 814 . 99 THR C C 174.061 0.2 1 815 . 100 ASN N N 125.245 0.1 1 816 . 100 ASN H H 9.097 0.02 1 817 . 100 ASN CA C 51.011 0.2 1 818 . 100 ASN HA H 4.763 0.02 1 819 . 100 ASN CB C 39.647 0.2 1 820 . 100 ASN HB2 H 2.780 0.02 2 821 . 100 ASN C C 174.145 0.2 1 822 . 101 PRO CA C 65.504 0.2 1 823 . 101 PRO HA H 4.432 0.02 1 824 . 101 PRO CB C 32.733 0.2 1 825 . 101 PRO HB2 H 3.216 0.02 2 826 . 101 PRO CG C 28.279 0.2 1 827 . 101 PRO HG2 H 1.426 0.02 2 828 . 101 PRO CD C 51.854 0.2 1 829 . 101 PRO HD2 H 3.254 0.02 2 830 . 102 LEU N N 118.739 0.1 1 831 . 102 LEU H H 8.018 0.02 1 832 . 102 LEU CA C 57.140 0.2 1 833 . 102 LEU HA H 4.304 0.02 1 834 . 102 LEU CB C 41.095 0.2 1 835 . 102 LEU HB2 H 1.499 0.02 2 836 . 102 LEU CG C 28.958 0.2 1 837 . 102 LEU HG H 1.752 0.02 1 838 . 102 LEU CD1 C 25.320 0.2 1 839 . 102 LEU HD1 H 0.888 0.02 2 840 . 102 LEU C C 180.129 0.2 1 841 . 103 TYR N N 119.489 0.1 1 842 . 103 TYR H H 7.237 0.02 1 843 . 103 TYR CA C 61.141 0.2 1 844 . 103 TYR HA H 4.210 0.02 1 845 . 103 TYR CB C 38.184 0.2 1 846 . 103 TYR HB3 H 3.213 0.02 2 847 . 103 TYR HB2 H 3.123 0.02 2 848 . 103 TYR C C 176.641 0.2 1 849 . 104 THR N N 116.347 0.1 1 850 . 104 THR H H 7.775 0.02 1 851 . 104 THR CA C 67.305 0.2 1 852 . 104 THR HA H 3.314 0.02 1 853 . 104 THR CB C 68.764 0.2 1 854 . 104 THR HB H 4.195 0.02 1 855 . 104 THR CG2 C 22.844 0.2 1 856 . 104 THR HG2 H 1.158 0.02 1 857 . 104 THR C C 175.900 0.2 1 858 . 105 GLU N N 119.905 0.1 1 859 . 105 GLU H H 7.610 0.02 1 860 . 105 GLU CA C 61.029 0.2 1 861 . 105 GLU HA H 3.909 0.02 1 862 . 105 GLU CB C 30.624 0.2 1 863 . 105 GLU HB2 H 2.100 0.02 2 864 . 105 GLU CG C 37.681 0.2 1 865 . 105 GLU HG2 H 2.164 0.02 2 866 . 105 GLU C C 179.712 0.2 1 867 . 106 ILE N N 120.796 0.1 1 868 . 106 ILE H H 7.973 0.02 1 869 . 106 ILE CA C 66.700 0.2 1 870 . 106 ILE HA H 3.438 0.02 1 871 . 106 ILE CB C 39.678 0.2 1 872 . 106 ILE HB H 1.944 0.02 1 873 . 106 ILE C C 176.852 0.2 1 874 . 107 ARG N N 121.161 0.1 1 875 . 107 ARG H H 8.714 0.02 1 876 . 107 ARG CA C 60.123 0.2 1 877 . 107 ARG HA H 3.809 0.02 1 878 . 107 ARG CB C 30.040 0.2 1 879 . 107 ARG HB2 H 1.560 0.02 2 880 . 107 ARG CG C 27.333 0.2 1 881 . 107 ARG HG2 H 1.542 0.02 2 882 . 107 ARG CD C 43.873 0.2 1 883 . 107 ARG HD2 H 2.881 0.02 2 884 . 107 ARG C C 178.077 0.2 1 885 . 108 LEU N N 118.010 0.1 1 886 . 108 LEU H H 8.096 0.02 1 887 . 108 LEU CA C 58.603 0.2 1 888 . 108 LEU HA H 4.038 0.02 1 889 . 108 LEU CB C 42.341 0.2 1 890 . 108 LEU HB2 H 1.547 0.02 2 891 . 108 LEU CG C 27.910 0.2 1 892 . 108 LEU HG H 1.708 0.02 1 893 . 108 LEU CD1 C 24.143 0.2 1 894 . 108 LEU HD1 H 0.843 0.02 2 895 . 108 LEU CD2 C 22.980 0.2 1 896 . 108 LEU HD2 H 1.214 0.02 2 897 . 108 LEU C C 181.200 0.2 1 898 . 109 ARG N N 119.701 0.1 1 899 . 109 ARG H H 7.875 0.02 1 900 . 109 ARG CA C 58.424 0.2 1 901 . 109 ARG HA H 4.141 0.02 1 902 . 109 ARG CB C 29.715 0.2 1 903 . 109 ARG HB2 H 1.968 0.02 2 904 . 109 ARG CG C 27.357 0.2 1 905 . 109 ARG HG2 H 1.589 0.02 2 906 . 109 ARG CD C 42.889 0.2 1 907 . 109 ARG HD2 H 3.317 0.02 2 908 . 109 ARG C C 178.632 0.2 1 909 . 110 ALA N N 123.997 0.1 1 910 . 110 ALA H H 9.165 0.02 1 911 . 110 ALA CA C 56.569 0.2 1 912 . 110 ALA HA H 3.829 0.02 1 913 . 110 ALA CB C 17.865 0.2 1 914 . 110 ALA HB H 1.457 0.02 1 915 . 110 ALA C C 179.480 0.2 1 916 . 111 ASP N N 120.081 0.1 1 917 . 111 ASP H H 9.005 0.02 1 918 . 111 ASP CA C 58.401 0.2 1 919 . 111 ASP HA H 4.150 0.02 1 920 . 111 ASP CB C 40.523 0.2 1 921 . 111 ASP HB3 H 2.436 0.02 2 922 . 111 ASP HB2 H 2.909 0.02 2 923 . 111 ASP C C 180.272 0.2 1 924 . 112 THR N N 116.647 0.1 1 925 . 112 THR H H 7.585 0.02 1 926 . 112 THR CA C 66.657 0.2 1 927 . 112 THR HA H 3.832 0.02 1 928 . 112 THR CB C 69.491 0.2 1 929 . 112 THR HB H 4.294 0.02 1 930 . 112 THR CG2 C 22.034 0.2 1 931 . 112 THR HG2 H 1.235 0.02 1 932 . 112 THR C C 176.920 0.2 1 933 . 113 LEU N N 121.575 0.1 1 934 . 113 LEU H H 8.083 0.02 1 935 . 113 LEU CA C 57.967 0.2 1 936 . 113 LEU HA H 3.915 0.02 1 937 . 113 LEU CB C 43.074 0.2 1 938 . 113 LEU HB2 H 1.446 0.02 2 939 . 113 LEU CD1 C 26.378 0.2 1 940 . 113 LEU HD1 H 0.948 0.02 2 941 . 113 LEU CD2 C 22.852 0.2 1 942 . 113 LEU HD2 H 0.922 0.02 2 943 . 113 LEU C C 178.757 0.2 1 944 . 114 MET N N 114.830 0.1 1 945 . 114 MET H H 8.208 0.02 1 946 . 114 MET CA C 57.045 0.2 1 947 . 114 MET HA H 2.877 0.02 1 948 . 114 MET CB C 35.318 0.2 1 949 . 114 MET HB2 H 1.867 0.02 2 950 . 114 MET CG C 29.897 0.2 1 951 . 114 MET HG2 H 1.574 0.02 2 952 . 114 MET C C 173.807 0.2 1 953 . 115 GLY N N 109.312 0.1 1 954 . 115 GLY H H 7.130 0.02 1 955 . 115 GLY CA C 45.219 0.2 1 956 . 115 GLY HA3 H 3.756 0.02 2 957 . 115 GLY HA2 H 4.323 0.02 2 958 . 115 GLY C C 173.891 0.2 1 959 . 116 ALA N N 119.326 0.1 1 960 . 116 ALA H H 8.070 0.02 1 961 . 116 ALA CA C 55.735 0.2 1 962 . 116 ALA HA H 3.869 0.02 1 963 . 116 ALA CB C 19.807 0.2 1 964 . 116 ALA HB H 1.333 0.02 1 965 . 116 ALA C C 180.823 0.2 1 966 . 117 GLU N N 118.676 0.1 1 967 . 117 GLU H H 8.224 0.02 1 968 . 117 GLU CA C 60.498 0.2 1 969 . 117 GLU HA H 3.982 0.02 1 970 . 117 GLU CB C 29.665 0.2 1 971 . 117 GLU HB2 H 2.003 0.02 2 972 . 117 GLU CG C 37.350 0.2 1 973 . 117 GLU HG3 H 2.176 0.02 2 974 . 117 GLU HG2 H 2.296 0.02 2 975 . 117 GLU C C 180.553 0.2 1 976 . 118 LEU N N 121.296 0.1 1 977 . 118 LEU H H 8.429 0.02 1 978 . 118 LEU CA C 58.286 0.2 1 979 . 118 LEU HA H 4.060 0.02 1 980 . 118 LEU CB C 41.616 0.2 1 981 . 118 LEU HB2 H 1.398 0.02 2 982 . 118 LEU CG C 26.520 0.2 1 983 . 118 LEU HG H 1.134 0.02 1 984 . 118 LEU CD1 C 23.685 0.2 1 985 . 118 LEU HD1 H 0.963 0.02 2 986 . 118 LEU C C 178.828 0.2 1 987 . 119 ALA N N 117.342 0.1 1 988 . 119 ALA H H 7.431 0.02 1 989 . 119 ALA CA C 54.123 0.2 1 990 . 119 ALA HA H 4.039 0.02 1 991 . 119 ALA CB C 17.903 0.2 1 992 . 119 ALA HB H 1.056 0.02 1 993 . 119 ALA C C 178.278 0.2 1 994 . 120 ALA N N 118.357 0.1 1 995 . 120 ALA H H 7.039 0.02 1 996 . 120 ALA CA C 52.114 0.2 1 997 . 120 ALA HA H 4.341 0.02 1 998 . 120 ALA CB C 20.152 0.2 1 999 . 120 ALA HB H 1.429 0.02 1 1000 . 120 ALA C C 179.081 0.2 1 1001 . 121 ARG N N 120.601 0.1 1 1002 . 121 ARG H H 7.627 0.02 1 1003 . 121 ARG CA C 54.879 0.2 1 1004 . 121 ARG HA H 4.523 0.02 1 1005 . 121 ARG CB C 28.985 0.2 1 1006 . 121 ARG HB3 H 2.125 0.02 2 1007 . 121 ARG HB2 H 2.204 0.02 2 1008 . 121 ARG CG C 28.870 0.2 1 1009 . 121 ARG HG2 H 2.000 0.02 2 1010 . 121 ARG CD C 42.980 0.2 1 1011 . 121 ARG HD2 H 3.242 0.02 2 1012 . 121 ARG C C 177.740 0.2 1 1013 . 122 PRO CA C 65.998 0.2 1 1014 . 122 PRO HA H 4.375 0.02 1 1015 . 122 PRO CB C 32.405 0.2 1 1016 . 122 PRO HB2 H 2.023 0.02 2 1017 . 122 PRO CG C 28.460 0.2 1 1018 . 122 PRO HG2 H 2.202 0.02 2 1019 . 122 PRO CD C 51.297 0.2 1 1020 . 122 PRO HD2 H 2.433 0.02 2 1021 . 123 GLU N N 117.610 0.1 1 1022 . 123 GLU H H 10.045 0.02 1 1023 . 123 GLU CA C 61.014 0.2 1 1024 . 123 GLU HA H 4.043 0.02 1 1025 . 123 GLU CB C 29.459 0.2 1 1026 . 123 GLU HB2 H 1.832 0.02 2 1027 . 123 GLU CG C 38.176 0.2 1 1028 . 123 GLU HG3 H 2.552 0.02 2 1029 . 123 GLU HG2 H 2.468 0.02 2 1030 . 123 GLU C C 178.410 0.2 1 1031 . 124 TYR N N 118.226 0.1 1 1032 . 124 TYR H H 7.653 0.02 1 1033 . 124 TYR CA C 61.003 0.2 1 1034 . 124 TYR HA H 4.269 0.02 1 1035 . 124 TYR CB C 39.057 0.2 1 1036 . 124 TYR HB2 H 3.277 0.02 2 1037 . 124 TYR C C 179.934 0.2 1 1038 . 125 ARG N N 119.953 0.1 1 1039 . 125 ARG H H 7.426 0.02 1 1040 . 125 ARG CA C 60.273 0.2 1 1041 . 125 ARG HA H 4.035 0.02 1 1042 . 125 ARG CB C 30.462 0.2 1 1043 . 125 ARG HB2 H 2.054 0.02 2 1044 . 125 ARG CG C 28.460 0.2 1 1045 . 125 ARG HG3 H 1.849 0.02 2 1046 . 125 ARG HG2 H 1.747 0.02 2 1047 . 125 ARG CD C 44.062 0.2 1 1048 . 125 ARG HD2 H 3.310 0.02 2 1049 . 125 ARG C C 180.705 0.2 1 1050 . 126 GLU N N 117.879 0.1 1 1051 . 126 GLU H H 7.576 0.02 1 1052 . 126 GLU CA C 58.716 0.2 1 1053 . 126 GLU HA H 4.117 0.02 1 1054 . 126 GLU CB C 30.270 0.2 1 1055 . 126 GLU HB2 H 2.158 0.02 2 1056 . 126 GLU CG C 37.198 0.2 1 1057 . 126 GLU HG3 H 2.406 0.02 2 1058 . 126 GLU HG2 H 2.296 0.02 2 1059 . 126 GLU C C 178.057 0.2 1 1060 . 127 LEU N N 118.524 0.1 1 1061 . 127 LEU H H 7.296 0.02 1 1062 . 127 LEU CA C 54.816 0.2 1 1063 . 127 LEU HA H 4.615 0.02 1 1064 . 127 LEU CB C 43.800 0.2 1 1065 . 127 LEU HB2 H 1.803 0.02 2 1066 . 127 LEU CD1 C 24.274 0.2 1 1067 . 127 LEU HD1 H 0.842 0.02 2 1068 . 127 LEU CD2 C 26.611 0.2 1 1069 . 127 LEU HD2 H 1.014 0.02 2 1070 . 127 LEU C C 177.770 0.2 1 1071 . 128 GLN N N 119.948 0.1 1 1072 . 128 GLN H H 7.503 0.02 1 1073 . 128 GLN CA C 60.600 0.2 1 1074 . 128 GLN HA H 4.265 0.02 1 1075 . 128 GLN CB C 26.185 0.2 1 1076 . 128 GLN HB2 H 2.220 0.02 2 1077 . 128 GLN HG2 H 2.573 0.02 2 1078 . 128 GLN C C 175.913 0.2 1 1079 . 129 PRO CA C 67.323 0.2 1 1080 . 129 PRO HA H 4.074 0.02 1 1081 . 129 PRO CB C 31.275 0.2 1 1082 . 129 PRO HB2 H 2.182 0.02 2 1083 . 129 PRO CG C 29.404 0.2 1 1084 . 129 PRO HG2 H 1.903 0.02 2 1085 . 129 PRO CD C 56.972 0.2 1 1086 . 129 PRO HD2 H 2.382 0.02 2 1087 . 130 TYR N N 119.582 0.1 1 1088 . 130 TYR H H 7.349 0.02 1 1089 . 130 TYR CA C 61.484 0.2 1 1090 . 130 TYR HA H 4.300 0.02 1 1091 . 130 TYR CB C 38.624 0.2 1 1092 . 130 TYR HB2 H 3.263 0.02 2 1093 . 130 TYR C C 177.633 0.2 1 1094 . 131 ALA N N 123.186 0.1 1 1095 . 131 ALA H H 8.136 0.02 1 1096 . 131 ALA CA C 56.406 0.2 1 1097 . 131 ALA HA H 3.633 0.02 1 1098 . 131 ALA CB C 18.903 0.2 1 1099 . 131 ALA HB H 1.603 0.02 1 1100 . 131 ALA C C 179.700 0.2 1 1101 . 132 ARG N N 117.172 0.1 1 1102 . 132 ARG H H 8.363 0.02 1 1103 . 132 ARG CA C 61.226 0.2 1 1104 . 132 ARG HA H 3.636 0.02 1 1105 . 132 ARG CB C 30.829 0.2 1 1106 . 132 ARG HB2 H 1.569 0.02 2 1107 . 132 ARG CG C 28.798 0.2 1 1108 . 132 ARG HG2 H 1.276 0.02 2 1109 . 132 ARG CD C 44.100 0.2 1 1110 . 132 ARG HD3 H 2.881 0.02 2 1111 . 132 ARG HD2 H 2.795 0.02 2 1112 . 132 ARG C C 180.198 0.2 1 1113 . 133 GLN N N 120.157 0.1 1 1114 . 133 GLN H H 7.954 0.02 1 1115 . 133 GLN CA C 59.175 0.2 1 1116 . 133 GLN HA H 3.905 0.02 1 1117 . 133 GLN CB C 28.525 0.2 1 1118 . 133 GLN HB2 H 2.144 0.02 2 1119 . 133 GLN CG C 34.080 0.2 1 1120 . 133 GLN HG2 H 2.367 0.02 2 1121 . 133 GLN C C 179.207 0.2 1 1122 . 134 GLN N N 118.073 0.1 1 1123 . 134 GLN H H 8.297 0.02 1 1124 . 134 GLN CA C 58.408 0.2 1 1125 . 134 GLN HA H 3.824 0.02 1 1126 . 134 GLN CB C 29.600 0.2 1 1127 . 134 GLN HB2 H 2.043 0.02 2 1128 . 134 GLN CG C 34.069 0.2 1 1129 . 134 GLN HG2 H 2.357 0.02 2 1130 . 134 GLN C C 179.516 0.2 1 1131 . 135 ALA N N 121.420 0.1 1 1132 . 135 ALA H H 7.848 0.02 1 1133 . 135 ALA CA C 55.775 0.2 1 1134 . 135 ALA HA H 3.864 0.02 1 1135 . 135 ALA CB C 18.972 0.2 1 1136 . 135 ALA HB H 1.494 0.02 1 1137 . 135 ALA C C 179.900 0.2 1 1138 . 136 ILE N N 120.064 0.1 1 1139 . 136 ILE H H 7.408 0.02 1 1140 . 136 ILE CA C 66.222 0.2 1 1141 . 136 ILE HA H 3.626 0.02 1 1142 . 136 ILE CB C 38.667 0.2 1 1143 . 136 ILE HB H 1.947 0.02 1 1144 . 136 ILE C C 178.039 0.2 1 1145 . 137 ASP N N 120.909 0.1 1 1146 . 137 ASP H H 8.131 0.02 1 1147 . 137 ASP CA C 57.904 0.2 1 1148 . 137 ASP HA H 4.236 0.02 1 1149 . 137 ASP CB C 40.802 0.2 1 1150 . 137 ASP HB2 H 2.582 0.02 2 1151 . 137 ASP C C 178.627 0.2 1 1152 . 138 LEU N N 120.984 0.1 1 1153 . 138 LEU H H 7.945 0.02 1 1154 . 138 LEU CA C 59.500 0.2 1 1155 . 138 LEU HA H 3.989 0.02 1 1156 . 138 LEU CB C 43.017 0.2 1 1157 . 138 LEU HB3 H 1.842 0.02 2 1158 . 138 LEU HB2 H 1.756 0.02 2 1159 . 138 LEU CD1 C 24.764 0.2 1 1160 . 138 LEU HD1 H 0.768 0.02 2 1161 . 138 LEU CD2 C 28.361 0.2 1 1162 . 138 LEU HD2 H 0.876 0.02 2 1163 . 138 LEU C C 180.568 0.2 1 1164 . 139 VAL N N 120.574 0.1 1 1165 . 139 VAL H H 7.290 0.02 1 1166 . 139 VAL CA C 68.178 0.2 1 1167 . 139 VAL HA H 3.365 0.02 1 1168 . 139 VAL CB C 32.816 0.2 1 1169 . 139 VAL HB H 2.228 0.02 1 1170 . 139 VAL CG2 C 24.698 0.2 1 1171 . 139 VAL HG2 H 1.078 0.02 2 1172 . 139 VAL CG1 C 24.698 0.2 1 1173 . 139 VAL HG1 H 0.923 0.02 2 1174 . 139 VAL C C 178.080 0.2 1 1175 . 140 ALA N N 121.488 0.1 1 1176 . 140 ALA H H 8.660 0.02 1 1177 . 140 ALA CA C 56.537 0.2 1 1178 . 140 ALA HA H 3.888 0.02 1 1179 . 140 ALA CB C 18.756 0.2 1 1180 . 140 ALA HB H 1.425 0.02 1 1181 . 140 ALA C C 180.279 0.2 1 1182 . 141 ASN N N 113.603 0.1 1 1183 . 141 ASN H H 8.013 0.02 1 1184 . 141 ASN CA C 55.358 0.2 1 1185 . 141 ASN HA H 4.579 0.02 1 1186 . 141 ASN CB C 39.713 0.2 1 1187 . 141 ASN HB2 H 2.790 0.02 2 1188 . 141 ASN C C 176.093 0.2 1 1189 . 142 ALA N N 121.550 0.1 1 1190 . 142 ALA H H 7.765 0.02 1 1191 . 142 ALA CA C 53.564 0.2 1 1192 . 142 ALA HA H 4.349 0.02 1 1193 . 142 ALA CB C 22.777 0.2 1 1194 . 142 ALA HB H 1.549 0.02 1 1195 . 142 ALA C C 177.711 0.2 1 1196 . 143 LEU N N 117.265 0.1 1 1197 . 143 LEU H H 7.332 0.02 1 1198 . 143 LEU CA C 54.096 0.2 1 1199 . 143 LEU HA H 4.254 0.02 1 1200 . 143 LEU CB C 43.579 0.2 1 1201 . 143 LEU HB2 H 1.378 0.02 2 1202 . 143 LEU HD1 H 0.800 0.02 2 1203 . 143 LEU C C 174.732 0.2 1 1204 . 144 PRO CA C 63.223 0.2 1 1205 . 144 PRO HA H 4.520 0.02 1 1206 . 144 PRO CB C 32.934 0.2 1 1207 . 144 PRO HB2 H 2.466 0.02 2 1208 . 144 PRO CG C 28.763 0.2 1 1209 . 144 PRO HG2 H 1.992 0.02 2 1210 . 144 PRO CD C 51.481 0.2 1 1211 . 144 PRO HD2 H 2.143 0.02 2 1212 . 145 ALA N N 125.594 0.1 1 1213 . 145 ALA H H 8.675 0.02 1 1214 . 145 ALA CA C 56.640 0.2 1 1215 . 145 ALA HA H 4.086 0.02 1 1216 . 145 ALA CB C 19.683 0.2 1 1217 . 145 ALA HB H 1.436 0.02 1 1218 . 145 ALA C C 179.364 0.2 1 1219 . 146 GLU N N 115.993 0.1 1 1220 . 146 GLU H H 9.160 0.02 1 1221 . 146 GLU CA C 60.724 0.2 1 1222 . 146 GLU HA H 4.081 0.02 1 1223 . 146 GLU CB C 29.465 0.2 1 1224 . 146 GLU HB2 H 2.003 0.02 2 1225 . 146 GLU CG C 37.002 0.2 1 1226 . 146 GLU HG2 H 2.296 0.02 2 1227 . 146 GLU C C 179.589 0.2 1 1228 . 147 ARG N N 117.148 0.1 1 1229 . 147 ARG H H 7.206 0.02 1 1230 . 147 ARG CA C 58.302 0.2 1 1231 . 147 ARG HA H 4.247 0.02 1 1232 . 147 ARG CB C 32.753 0.2 1 1233 . 147 ARG HB2 H 1.378 0.02 2 1234 . 147 ARG CG C 28.258 0.2 1 1235 . 147 ARG HG3 H 1.501 0.02 2 1236 . 147 ARG HG2 H 1.121 0.02 2 1237 . 147 ARG CD C 43.510 0.2 1 1238 . 147 ARG HD2 H 2.505 0.02 2 1239 . 147 ARG C C 178.085 0.2 1 1240 . 148 SER N N 115.117 0.1 1 1241 . 148 SER H H 8.605 0.02 1 1242 . 148 SER CA C 62.766 0.2 1 1243 . 148 SER HA H 3.950 0.02 1 1244 . 148 SER CB C 63.375 0.2 1 1245 . 148 SER HB2 H 4.089 0.02 2 1246 . 148 SER C C 177.434 0.2 1 1247 . 149 ASN N N 116.997 0.1 1 1248 . 149 ASN H H 8.647 0.02 1 1249 . 149 ASN CA C 57.211 0.2 1 1250 . 149 ASN HA H 4.470 0.02 1 1251 . 149 ASN CB C 38.710 0.2 1 1252 . 149 ASN HB2 H 2.883 0.02 2 1253 . 149 ASN C C 178.399 0.2 1 1254 . 150 THR N N 116.148 0.1 1 1255 . 150 THR H H 7.615 0.02 1 1256 . 150 THR CA C 67.227 0.2 1 1257 . 150 THR HA H 4.094 0.02 1 1258 . 150 THR CB C 69.359 0.2 1 1259 . 150 THR HB H 4.525 0.02 1 1260 . 150 THR CG2 C 23.505 0.2 1 1261 . 150 THR HG2 H 1.398 0.02 1 1262 . 150 THR C C 177.331 0.2 1 1263 . 151 LEU N N 124.104 0.1 1 1264 . 151 LEU H H 8.097 0.02 1 1265 . 151 LEU CA C 60.083 0.2 1 1266 . 151 LEU HA H 4.120 0.02 1 1267 . 151 LEU CB C 42.977 0.2 1 1268 . 151 LEU HB3 H 2.084 0.02 2 1269 . 151 LEU HB2 H 1.940 0.02 2 1270 . 151 LEU CD1 C 23.681 0.2 1 1271 . 151 LEU HD1 H 0.838 0.02 2 1272 . 151 LEU CD2 C 26.151 0.2 1 1273 . 151 LEU HD2 H 0.904 0.02 2 1274 . 151 LEU C C 178.731 0.2 1 1275 . 152 VAL N N 119.897 0.1 1 1276 . 152 VAL H H 8.654 0.02 1 1277 . 152 VAL CA C 67.599 0.2 1 1278 . 152 VAL HA H 3.569 0.02 1 1279 . 152 VAL CB C 32.749 0.2 1 1280 . 152 VAL HB H 2.257 0.02 1 1281 . 152 VAL CG2 C 23.192 0.2 1 1282 . 152 VAL HG2 H 1.113 0.02 2 1283 . 152 VAL CG1 C 21.470 0.2 1 1284 . 152 VAL HG1 H 0.992 0.02 2 1285 . 152 VAL C C 179.825 0.2 1 1286 . 153 GLU N N 121.046 0.1 1 1287 . 153 GLU H H 8.353 0.02 1 1288 . 153 GLU CA C 60.156 0.2 1 1289 . 153 GLU HA H 4.166 0.02 1 1290 . 153 GLU CB C 30.082 0.2 1 1291 . 153 GLU HB2 H 2.213 0.02 2 1292 . 153 GLU CG C 36.952 0.2 1 1293 . 153 GLU HG2 H 2.290 0.02 2 1294 . 153 GLU HG3 H 2.459 0.2 1 1295 . 153 GLU C C 179.803 0.2 1 1296 . 154 PHE N N 122.299 0.1 1 1297 . 154 PHE H H 8.567 0.02 1 1298 . 154 PHE CA C 61.646 0.2 1 1299 . 154 PHE HA H 4.672 0.02 1 1300 . 154 PHE CB C 39.920 0.2 1 1301 . 154 PHE HB2 H 3.389 0.02 2 1302 . 154 PHE C C 177.624 0.2 1 1303 . 155 ARG N N 119.020 0.1 1 1304 . 155 ARG H H 8.554 0.02 1 1305 . 155 ARG CA C 60.947 0.2 1 1306 . 155 ARG HA H 3.725 0.02 1 1307 . 155 ARG CB C 31.381 0.2 1 1308 . 155 ARG HB2 H 1.886 0.02 2 1309 . 155 ARG CG C 27.631 0.2 1 1310 . 155 ARG HG2 H 2.223 0.02 2 1311 . 155 ARG CD C 45.227 0.2 1 1312 . 155 ARG HD2 H 3.110 0.02 2 1313 . 155 ARG C C 179.195 0.2 1 1314 . 156 GLN N N 118.934 0.1 1 1315 . 156 GLN H H 8.048 0.02 1 1316 . 156 GLN CA C 59.510 0.2 1 1317 . 156 GLN HA H 4.117 0.02 1 1318 . 156 GLN CB C 28.989 0.2 1 1319 . 156 GLN HB2 H 2.246 0.02 2 1320 . 156 GLN CG C 34.832 0.2 1 1321 . 156 GLN HG2 H 2.468 0.02 2 1322 . 156 GLN C C 179.212 0.2 1 1323 . 157 THR N N 121.838 0.1 1 1324 . 157 THR H H 8.902 0.02 1 1325 . 157 THR CA C 67.734 0.2 1 1326 . 157 THR HA H 3.904 0.02 1 1327 . 157 THR CB C 69.271 0.2 1 1328 . 157 THR HB H 4.434 0.02 1 1329 . 157 THR CG2 C 21.219 0.2 1 1330 . 157 THR HG2 H 1.208 0.02 1 1331 . 157 THR C C 177.056 0.2 1 1332 . 158 VAL N N 121.462 0.1 1 1333 . 158 VAL H H 8.472 0.02 1 1334 . 158 VAL CA C 68.171 0.2 1 1335 . 158 VAL HA H 3.315 0.02 1 1336 . 158 VAL CB C 31.742 0.2 1 1337 . 158 VAL HB H 1.773 0.02 1 1338 . 158 VAL CG2 C 25.570 0.2 1 1339 . 158 VAL HG2 H 0.213 0.02 2 1340 . 158 VAL CG1 C 22.980 0.2 1 1341 . 158 VAL HG1 H 0.638 0.02 2 1342 . 158 VAL C C 177.950 0.2 1 1343 . 159 GLN N N 119.888 0.1 1 1344 . 159 GLN H H 7.895 0.02 1 1345 . 159 GLN CA C 59.921 0.2 1 1346 . 159 GLN HA H 4.290 0.02 1 1347 . 159 GLN CB C 29.409 0.2 1 1348 . 159 GLN HB3 H 2.270 0.02 2 1349 . 159 GLN HB2 H 2.156 0.02 2 1350 . 159 GLN CG C 35.072 0.2 1 1351 . 159 GLN HG3 H 2.571 0.02 2 1352 . 159 GLN HG2 H 2.417 0.02 2 1353 . 159 GLN C C 180.422 0.2 1 1354 . 160 THR N N 119.308 0.1 1 1355 . 160 THR H H 8.460 0.02 1 1356 . 160 THR CA C 67.338 0.2 1 1357 . 160 THR HA H 4.082 0.02 1 1358 . 160 THR CB C 69.061 0.2 1 1359 . 160 THR HB H 4.444 0.02 1 1360 . 160 THR CG2 C 22.390 0.2 1 1361 . 160 THR HG2 H 1.283 0.02 1 1362 . 160 THR C C 177.641 0.2 1 1363 . 161 LEU N N 125.282 0.1 1 1364 . 161 LEU H H 8.682 0.02 1 1365 . 161 LEU CA C 59.155 0.2 1 1366 . 161 LEU HA H 4.268 0.02 1 1367 . 161 LEU CB C 43.705 0.2 1 1368 . 161 LEU HB2 H 1.459 0.02 2 1369 . 161 LEU CD1 C 26.485 0.2 1 1370 . 161 LEU HD1 H 0.715 0.02 2 1371 . 161 LEU CD2 C 24.265 0.2 1 1372 . 161 LEU HD2 H 0.967 0.02 2 1373 . 161 LEU C C 179.953 0.2 1 1374 . 162 GLU N N 119.982 0.1 1 1375 . 162 GLU H H 8.883 0.02 1 1376 . 162 GLU CA C 61.438 0.2 1 1377 . 162 GLU HA H 3.818 0.02 1 1378 . 162 GLU CB C 31.033 0.2 1 1379 . 162 GLU HB3 H 2.297 0.02 2 1380 . 162 GLU HB2 H 2.197 0.02 2 1381 . 162 GLU CG C 38.352 0.2 1 1382 . 162 GLU HG2 H 2.559 0.02 2 1383 . 162 GLU C C 178.922 0.2 1 1384 . 163 ALA N N 120.673 0.1 1 1385 . 163 ALA H H 7.899 0.02 1 1386 . 163 ALA CA C 56.163 0.2 1 1387 . 163 ALA HA H 4.158 0.02 1 1388 . 163 ALA CB C 18.953 0.2 1 1389 . 163 ALA HB H 1.591 0.02 1 1390 . 163 ALA C C 181.900 0.2 1 1391 . 164 THR N N 117.291 0.1 1 1392 . 164 THR H H 8.727 0.02 1 1393 . 164 THR CA C 67.309 0.2 1 1394 . 164 THR HA H 3.862 0.02 1 1395 . 164 THR CB C 69.712 0.2 1 1396 . 164 THR HB H 4.328 0.02 1 1397 . 164 THR CG2 C 21.389 0.2 1 1398 . 164 THR HG2 H 0.885 0.02 1 1399 . 164 THR C C 177.949 0.2 1 1400 . 165 TYR N N 120.832 0.1 1 1401 . 165 TYR H H 8.658 0.02 1 1402 . 165 TYR CA C 64.040 0.2 1 1403 . 165 TYR HA H 4.298 0.02 1 1404 . 165 TYR CB C 38.674 0.2 1 1405 . 165 TYR HB3 H 2.911 0.02 2 1406 . 165 TYR HB2 H 2.870 0.02 2 1407 . 165 TYR C C 178.724 0.2 1 1408 . 166 ARG N N 122.574 0.1 1 1409 . 166 ARG H H 8.762 0.02 1 1410 . 166 ARG CA C 61.207 0.2 1 1411 . 166 ARG HA H 4.040 0.02 1 1412 . 166 ARG CB C 30.428 0.2 1 1413 . 166 ARG HB2 H 1.831 0.02 2 1414 . 166 ARG CG C 30.353 0.2 1 1415 . 166 ARG HG2 H 2.010 0.02 2 1416 . 166 ARG CD C 43.469 0.2 1 1417 . 166 ARG HD2 H 3.114 0.02 2 1418 . 166 ARG C C 179.938 0.2 1 1419 . 167 ARG N N 121.085 0.1 1 1420 . 167 ARG H H 7.731 0.02 1 1421 . 167 ARG CA C 59.594 0.2 1 1422 . 167 ARG HA H 4.159 0.02 1 1423 . 167 ARG CB C 29.880 0.2 1 1424 . 167 ARG HB2 H 1.977 0.02 2 1425 . 167 ARG CG C 28.007 0.2 1 1426 . 167 ARG HG3 H 1.730 0.02 2 1427 . 167 ARG HG2 H 1.684 0.02 2 1428 . 167 ARG CD C 43.880 0.2 1 1429 . 167 ARG HD2 H 3.234 0.02 2 1430 . 167 ARG C C 178.791 0.2 1 1431 . 168 ALA N N 121.699 0.1 1 1432 . 168 ALA H H 7.634 0.02 1 1433 . 168 ALA CA C 55.462 0.2 1 1434 . 168 ALA HA H 4.241 0.02 1 1435 . 168 ALA CB C 18.546 0.2 1 1436 . 168 ALA HB H 1.540 0.02 1 1437 . 168 ALA C C 180.954 0.2 1 1438 . 169 ALA N N 121.919 0.1 1 1439 . 169 ALA H H 8.051 0.02 1 1440 . 169 ALA CA C 55.333 0.2 1 1441 . 169 ALA HA H 4.145 0.02 1 1442 . 169 ALA CB C 19.255 0.2 1 1443 . 169 ALA HB H 1.614 0.02 1 1444 . 169 ALA C C 179.841 0.2 1 1445 . 170 GLN N N 119.417 0.1 1 1446 . 170 GLN H H 7.898 0.02 1 1447 . 170 GLN CA C 58.924 0.2 1 1448 . 170 GLN HA H 4.092 0.02 1 1449 . 170 GLN CB C 29.409 0.2 1 1450 . 170 GLN HB3 H 2.210 0.02 2 1451 . 170 GLN HB2 H 2.165 0.02 2 1452 . 170 GLN CG C 34.730 0.2 1 1453 . 170 GLN HG3 H 2.488 0.02 2 1454 . 170 GLN HG2 H 2.413 0.02 2 1455 . 170 GLN C C 179.299 0.2 1 1456 . 171 ASP N N 121.120 0.1 1 1457 . 171 ASP H H 8.303 0.02 1 1458 . 171 ASP CA C 57.079 0.2 1 1459 . 171 ASP HA H 4.447 0.02 1 1460 . 171 ASP CB C 41.096 0.2 1 1461 . 171 ASP HB2 H 2.713 0.02 2 1462 . 171 ASP C C 178.170 0.2 1 1463 . 172 ALA N N 122.524 0.1 1 1464 . 172 ALA H H 7.840 0.02 1 1465 . 172 ALA CA C 54.332 0.2 1 1466 . 172 ALA HA H 4.286 0.02 1 1467 . 172 ALA CB C 19.889 0.2 1 1468 . 172 ALA HB H 1.443 0.02 1 1469 . 172 ALA C C 179.518 0.2 1 1470 . 173 SER N N 114.310 0.1 1 1471 . 173 SER H H 8.012 0.02 1 1472 . 173 SER CA C 60.309 0.2 1 1473 . 173 SER HA H 4.308 0.02 1 1474 . 173 SER CB C 64.186 0.2 1 1475 . 173 SER HB3 H 4.017 0.02 2 1476 . 173 SER HB2 H 3.959 0.02 2 1477 . 173 SER C C 175.796 0.2 1 1478 . 174 ARG N N 122.514 0.1 1 1479 . 174 ARG H H 7.814 0.02 1 1480 . 174 ARG CA C 57.840 0.2 1 1481 . 174 ARG HA H 4.250 0.02 1 1482 . 174 ARG CB C 31.332 0.2 1 1483 . 174 ARG HB3 H 1.928 0.02 2 1484 . 174 ARG HB2 H 1.884 0.02 2 1485 . 174 ARG CG C 27.809 0.2 1 1486 . 174 ARG HG3 H 1.741 0.02 2 1487 . 174 ARG HG2 H 1.628 0.02 2 1488 . 174 ARG CD C 44.065 0.2 1 1489 . 174 ARG HD3 H 3.332 0.02 2 1490 . 174 ARG HD2 H 3.232 0.02 2 1491 . 174 ARG C C 177.290 0.2 1 1492 . 175 ASP N N 120.753 0.1 1 1493 . 175 ASP H H 8.125 0.02 1 1494 . 175 ASP CA C 55.379 0.2 1 1495 . 175 ASP HA H 4.607 0.02 1 1496 . 175 ASP CB C 41.924 0.2 1 1497 . 175 ASP HB3 H 2.756 0.02 2 1498 . 175 ASP HB2 H 2.637 0.02 2 1499 . 175 ASP C C 177.305 0.2 1 1500 . 176 GLU N N 121.857 0.1 1 1501 . 176 GLU H H 8.201 0.02 1 1502 . 176 GLU CA C 57.774 0.2 1 1503 . 176 GLU HA H 4.253 0.02 1 1504 . 176 GLU CB C 30.720 0.2 1 1505 . 176 GLU HB3 H 2.073 0.02 2 1506 . 176 GLU HB2 H 2.013 0.02 2 1507 . 176 GLU CG C 36.890 0.2 1 1508 . 176 GLU HG2 H 2.307 0.02 2 1509 . 176 GLU C C 177.615 0.2 1 1510 . 177 LYS N N 121.853 0.1 1 1511 . 177 LYS H H 8.288 0.02 1 1512 . 177 LYS CA C 57.398 0.2 1 1513 . 177 LYS HA H 4.293 0.02 1 1514 . 177 LYS CB C 33.319 0.2 1 1515 . 177 LYS HB2 H 1.836 0.02 2 1516 . 177 LYS CG C 25.477 0.2 1 1517 . 177 LYS HG2 H 1.470 0.02 2 1518 . 177 LYS CD C 29.673 0.2 1 1519 . 177 LYS HD3 H 1.713 0.02 2 1520 . 177 LYS HD2 H 1.685 0.02 2 1521 . 177 LYS CE C 42.904 0.2 1 1522 . 177 LYS HE2 H 3.005 0.02 2 1523 . 177 LYS C C 178.000 0.2 1 1524 . 178 GLY N N 109.747 0.1 1 1525 . 178 GLY H H 8.303 0.02 1 1526 . 178 GLY CA C 46.007 0.2 1 1527 . 178 GLY HA2 H 3.944 0.02 2 1528 . 178 GLY C C 174.592 0.2 1 1529 . 179 ALA N N 124.253 0.1 1 1530 . 179 ALA H H 8.159 0.02 1 1531 . 179 ALA CA C 53.226 0.2 1 1532 . 179 ALA HA H 4.375 0.02 1 1533 . 179 ALA CB C 20.177 0.2 1 1534 . 179 ALA HB H 1.411 0.02 1 1535 . 179 ALA C C 178.743 0.2 1 1536 . 180 THR N N 113.662 0.1 1 1537 . 180 THR H H 8.173 0.02 1 1538 . 180 THR CA C 62.533 0.2 1 1539 . 180 THR HA H 4.329 0.02 1 1540 . 180 THR CB C 70.418 0.2 1 1541 . 180 THR HB H 4.206 0.02 1 1542 . 180 THR CG2 C 22.199 0.2 1 1543 . 180 THR HG2 H 1.201 0.02 1 1544 . 180 THR C C 174.984 0.2 1 1545 . 181 ASN N N 121.612 0.1 1 1546 . 181 ASN H H 8.428 0.02 1 1547 . 181 ASN CA C 53.801 0.2 1 1548 . 181 ASN HA H 4.737 0.02 1 1549 . 181 ASN CB C 39.713 0.2 1 1550 . 181 ASN HB3 H 2.765 0.02 2 1551 . 181 ASN HB2 H 2.840 0.02 2 1552 . 181 ASN C C 175.555 0.2 1 1553 . 182 ALA N N 125.400 0.1 1 1554 . 182 ALA H H 8.304 0.02 1 1555 . 182 ALA CA C 53.453 0.2 1 1556 . 182 ALA HA H 4.279 0.02 1 1557 . 182 ALA CB C 19.988 0.2 1 1558 . 182 ALA HB H 1.374 0.02 1 1559 . 182 ALA C C 178.195 0.2 1 1560 . 183 ALA N N 122.790 0.1 1 1561 . 183 ALA H H 8.236 0.02 1 1562 . 183 ALA CA C 53.048 0.2 1 1563 . 183 ALA HA H 4.325 0.02 1 1564 . 183 ALA CB C 19.446 0.2 1 1565 . 183 ALA HB H 1.337 0.02 1 1566 . 183 ALA C C 178.490 0.2 1 1567 . 184 ASP N N 119.671 0.1 1 1568 . 184 ASP H H 8.173 0.02 1 1569 . 184 ASP CA C 55.178 0.2 1 1570 . 184 ASP HA H 4.577 0.02 1 1571 . 184 ASP CB C 41.773 0.2 1 1572 . 184 ASP HB2 H 2.670 0.02 2 1573 . 184 ASP C C 177.378 0.2 1 1574 . 185 GLY N N 110.064 0.1 1 1575 . 185 GLY H H 8.226 0.02 1 1576 . 185 GLY CA C 46.103 0.2 1 1577 . 185 GLY HA2 H 3.911 0.02 2 1578 . 185 GLY C C 173.634 0.2 1 1579 . 186 ALA N N 129.724 0.1 1 1580 . 186 ALA H H 7.771 0.02 1 1581 . 186 ALA CA C 54.329 0.2 1 1582 . 186 ALA HA H 4.146 0.02 1 1583 . 186 ALA CB C 20.841 0.2 1 1584 . 186 ALA HB H 1.355 0.02 1 1585 . 186 ALA C C 169.430 0.2 1 stop_ save_