data_6512 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, and 13C resonance assignments of Vaccinia Virus Envelope protein, A27L ; _BMRB_accession_number 6512 _BMRB_flat_file_name bmr6512.str _Entry_type original _Submission_date 2005-02-18 _Accession_date 2005-02-18 _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 Chu Feng-I . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 474 "13C chemical shifts" 487 "15N chemical shifts" 124 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-07-26 original author . stop_ _Original_release_date 2005-07-26 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR assignment of the vaccinia virus envelope protein A27L' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chu Feng-I . . 2 Ho Yu . . 3 Tzou Der-Lii M. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 32 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 178 _Page_last 178 _Year 2005 _Details . loop_ _Keyword 'Envelope protein' 'heteronuclear NMR' 'Vaccinia Virus' stop_ save_ ################################## # Molecular system description # ################################## save_system_A27L _Saveframe_category molecular_system _Mol_system_name 'Vaccinia Virus envelope protein A27L' _Abbreviation_common A27L _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'A27L, chain 1' $A27L_monomer 'A27L, chain 2' $A27L_monomer 'A27L, chain 3' $A27L_monomer stop_ _System_molecular_weight . _System_physical_state reduced _System_oligomer_state trimer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'A27L, chain 1' 1 'A27L, chain 2' 1 'A27L, chain 3' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_A27L_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'A27L vaccinia virus envelope protein' _Abbreviation_common A27L _Molecular_mass 15509 _Mol_thiol_state 'all free' _Details ; Residues 1-14(MASMTGGQQMGRGS) and residues 125-137 (KLAAALEHHHHHH) are t7-tag and his-tag,respectively. ; ############################## # Polymer residue sequence # ############################## _Residue_count 137 _Mol_residue_sequence ; MASMTGGQQMGRGSMDGTLF PGDDDLAIPATEFFSTKAAK KPEAKREAIVKADEDDNEET LKQRLTNLEKKITNVTTKFE QIEKCCKRNDEVLFRLENHA ETLRAAMISLAKKIDVQTGR RQYEKLAAALEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -14 MET 2 -13 ALA 3 -12 SER 4 -11 MET 5 -10 THR 6 -9 GLY 7 -8 GLY 8 -7 GLN 9 -6 GLN 10 -5 MET 11 -4 GLY 12 -3 ARG 13 -2 GLY 14 -1 SER 15 1 MET 16 2 ASP 17 3 GLY 18 4 THR 19 5 LEU 20 6 PHE 21 7 PRO 22 8 GLY 23 9 ASP 24 10 ASP 25 11 ASP 26 12 LEU 27 13 ALA 28 14 ILE 29 15 PRO 30 16 ALA 31 17 THR 32 18 GLU 33 19 PHE 34 20 PHE 35 21 SER 36 22 THR 37 23 LYS 38 24 ALA 39 25 ALA 40 26 LYS 41 27 LYS 42 28 PRO 43 29 GLU 44 30 ALA 45 31 LYS 46 32 ARG 47 33 GLU 48 34 ALA 49 35 ILE 50 36 VAL 51 37 LYS 52 38 ALA 53 39 ASP 54 40 GLU 55 41 ASP 56 42 ASP 57 43 ASN 58 44 GLU 59 45 GLU 60 46 THR 61 47 LEU 62 48 LYS 63 49 GLN 64 50 ARG 65 51 LEU 66 52 THR 67 53 ASN 68 54 LEU 69 55 GLU 70 56 LYS 71 57 LYS 72 58 ILE 73 59 THR 74 60 ASN 75 61 VAL 76 62 THR 77 63 THR 78 64 LYS 79 65 PHE 80 66 GLU 81 67 GLN 82 68 ILE 83 69 GLU 84 70 LYS 85 71 CYS 86 72 CYS 87 72 LYS 88 74 ARG 89 75 ASN 90 76 ASP 91 77 GLU 92 78 VAL 93 79 LEU 94 80 PHE 95 81 ARG 96 82 LEU 97 83 GLU 98 84 ASN 99 85 HIS 100 86 ALA 101 87 GLU 102 88 THR 103 89 LEU 104 90 ARG 105 91 ALA 106 92 ALA 107 93 MET 108 94 ILE 109 95 SER 110 96 LEU 111 97 ALA 112 98 LYS 113 99 LYS 114 100 ILE 115 101 ASP 116 102 VAL 117 103 GLN 118 104 THR 119 105 GLY 120 106 ARG 121 107 ARG 122 108 GLN 123 109 TYR 124 110 GLU 125 +1 LYS 126 +2 LEU 127 +3 ALA 128 +4 ALA 129 +5 ALA 130 +6 LEU 131 +7 GLU 132 +8 HIS 133 +9 HIS 134 +10 HIS 135 +11 HIS 136 +12 HIS 137 +13 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value EMBL CAA46494 "14kDa fusion protein [Variola virus]" 80.29 110 97.27 98.18 3.37e-70 EMBL CAA53001 "14kDa fusion protein [Cowpox virus]" 80.29 110 97.27 98.18 4.94e-70 EMBL CAA53856 "unnamed protein product [Variola virus]" 80.29 110 97.27 98.18 3.37e-70 EMBL CAB11754 "hypothetical protein [Vaccinia virus]" 80.29 110 98.18 98.18 5.46e-71 EMBL CAB11756 "hypothetical protein [Vaccinia virus]" 80.29 110 97.27 98.18 2.54e-70 GB AAA48152 "putative A27L [Vaccinia virus Copenhagen]" 80.29 110 98.18 98.18 5.46e-71 GB AAA48248 "14kd fusion protein [Vaccinia virus]" 80.29 110 99.09 99.09 5.84e-72 GB AAA60882 "homolog of vaccinia virus CDS A27L (14 kDa fusion protein); putative [Variola major virus]" 80.29 110 97.27 98.18 3.37e-70 GB AAB96472 "14k membrane protein [Vaccinia virus]" 80.29 110 98.18 98.18 4.21e-71 GB AAF34032 "TA36L [Vaccinia virus Tian Tan]" 79.56 110 99.08 99.08 3.27e-71 REF NP_619946 "CPXV162 protein [Cowpox virus]" 80.29 110 97.27 98.18 4.94e-70 REF YP_233032 "IMV surface protein [Vaccinia virus]" 80.29 110 99.09 99.09 5.84e-72 SP P11258 "RecName: Full=Protein A27 [Vaccinia virus WR]" 80.29 110 99.09 99.09 5.84e-72 SP P20535 "RecName: Full=14 kDa fusion protein [Vaccinia virus Copenhagen]" 80.29 110 98.18 98.18 5.46e-71 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $A27L_monomer 'Vaccinia virus' 10245 Viruses . Poxviridae 'Vaccinia virus' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $A27L_monomer 'recombinant technology' 'E. coli' Escherichia coli BL21 plasmid pet21 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 $A27L_monomer 1.5 mM '[U-99% 13C; U-99% 15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_CBCANH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label . save_ save_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HBHA(CBCACO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCACO)NH _Sample_label . save_ save_1H-15N-TOCSY-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-15N-TOCSY-HSQC _Sample_label . save_ save_3D-HCCCONH_9 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HCCCONH _Sample_label . save_ save_3D-CCCONH_10 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-CCCONH _Sample_label . save_ save_2D-HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-HSQC _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name HBHA(CBCACO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name 1H-15N-TOCSY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-HCCCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name 3D-CCCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name 2D-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 3.5 0.05 pH temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'A27L, chain 1' _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 SER HA H 4.35 0.02 1 2 . 3 SER HB2 H 3.90 0.02 2 3 . 3 SER C C 174.4 0.05 1 4 . 3 SER CA C 58.2 0.05 1 5 . 3 SER CB C 63.7 0.05 1 6 . 4 MET H H 8.68 0.02 1 7 . 4 MET HA H 4.61 0.02 1 8 . 4 MET HB2 H 2.10 0.02 2 9 . 4 MET HG2 H 2.67 0.02 2 10 . 4 MET HG3 H 2.55 0.02 2 11 . 4 MET C C 176.5 0.05 1 12 . 4 MET CA C 55.6 0.05 1 13 . 4 MET CB C 32.7 0.05 1 14 . 4 MET CG C 31.5 0.05 1 15 . 4 MET N N 122.9 0.05 1 16 . 5 THR H H 8.25 0.02 1 17 . 5 THR HA H 4.42 0.02 1 18 . 5 THR HB H 4.26 0.02 1 19 . 5 THR HG2 H 1.21 0.02 1 20 . 5 THR C C 175.1 0.05 1 21 . 5 THR CA C 61.8 0.05 1 22 . 5 THR CB C 69.8 0.05 1 23 . 5 THR CG2 C 21.4 0.05 1 24 . 5 THR N N 114.7 0.05 1 25 . 6 GLY H H 8.45 0.02 1 26 . 6 GLY HA2 H 3.99 0.02 2 27 . 6 GLY C C 174.7 0.05 1 28 . 6 GLY CA C 45.3 0.05 1 29 . 6 GLY N N 111.2 0.05 1 30 . 7 GLY H H 8.33 0.02 1 31 . 7 GLY HA2 H 3.99 0.02 2 32 . 7 GLY C C 174.3 0.05 1 33 . 7 GLY CA C 45.2 0.05 1 34 . 7 GLY N N 108.6 0.05 1 35 . 8 GLN H H 8.34 0.02 1 36 . 8 GLN HA H 4.34 0.02 1 37 . 8 GLN HB2 H 2.04 0.02 2 38 . 8 GLN C C 176.1 0.05 1 39 . 8 GLN CA C 56.0 0.05 1 40 . 8 GLN CB C 29.2 0.05 1 41 . 8 GLN N N 119.8 0.05 1 42 . 9 GLN H H 8.58 0.02 1 43 . 9 GLN HA H 4.34 0.02 1 44 . 9 GLN HB2 H 2.05 0.02 2 45 . 9 GLN C C 176.0 0.05 1 46 . 9 GLN CA C 55.9 0.05 1 47 . 9 GLN CB C 29.2 0.05 1 48 . 9 GLN CG C 32.9 0.05 1 49 . 9 GLN N N 122.0 0.05 1 50 . 10 MET H H 8.46 0.02 1 51 . 10 MET HA H 4.50 0.02 1 52 . 10 MET HB2 H 2.06 0.02 2 53 . 10 MET HG2 H 2.60 0.02 2 54 . 10 MET C C 176.7 0.05 1 55 . 10 MET CA C 55.6 0.05 1 56 . 10 MET CB C 32.7 0.05 1 57 . 10 MET CG C 31.7 0.05 1 58 . 10 MET N N 121.7 0.05 1 59 . 11 GLY H H 8.47 0.02 1 60 . 11 GLY HA2 H 4.00 0.02 2 61 . 11 GLY C C 174.2 0.05 1 62 . 11 GLY CA C 45.3 0.05 1 63 . 11 GLY N N 110.1 0.05 1 64 . 12 ARG H H 8.23 0.02 1 65 . 12 ARG HA H 4.36 0.02 1 66 . 12 ARG HB2 H 1.91 0.02 2 67 . 12 ARG HG2 H 1.71 0.02 2 68 . 12 ARG C C 176.6 0.05 1 69 . 12 ARG CA C 56.2 0.05 1 70 . 12 ARG CB C 30.7 0.05 1 71 . 12 ARG CG C 26.8 0.05 1 72 . 12 ARG CD C 42.8 0.05 1 73 . 12 ARG N N 120.8 0.05 1 74 . 13 GLY H H 8.51 0.02 1 75 . 13 GLY HA2 H 4.00 0.02 2 76 . 13 GLY C C 174.2 0.05 1 77 . 13 GLY CA C 45.2 0.05 1 78 . 13 GLY N N 110.0 0.05 1 79 . 14 SER H H 8.26 0.02 1 80 . 14 SER HA H 4.38 0.02 1 81 . 14 SER HB2 H 4.00 0.02 2 82 . 14 SER C C 175.0 0.05 1 83 . 14 SER CA C 58.5 0.05 1 84 . 14 SER CB C 63.8 0.05 1 85 . 14 SER N N 115.6 0.05 1 86 . 15 MET H H 8.50 0.02 1 87 . 15 MET HA H 4.51 0.02 1 88 . 15 MET HB2 H 2.08 0.02 2 89 . 15 MET HG2 H 2.57 0.02 2 90 . 15 MET C C 176.1 0.05 1 91 . 15 MET CA C 55.7 0.05 1 92 . 15 MET CB C 32.3 0.05 1 93 . 15 MET N N 121.9 0.05 1 94 . 16 ASP H H 8.45 0.02 1 95 . 16 ASP HA H 4.73 0.02 1 96 . 16 ASP HB2 H 2.92 0.02 2 97 . 16 ASP C C 175.6 0.05 1 98 . 16 ASP CA C 53.2 0.05 1 99 . 16 ASP CB C 38.0 0.05 1 100 . 16 ASP N N 119.7 0.05 1 101 . 17 GLY H H 8.35 0.05 1 102 . 17 GLY HA2 H 4.00 0.02 2 103 . 17 GLY C C 174.2 0.05 1 104 . 17 GLY CA C 45.5 0.05 1 105 . 17 GLY N N 109.3 0.05 1 106 . 18 THR H H 8.00 0.02 1 107 . 18 THR HA H 4.37 0.02 1 108 . 18 THR HB H 4.19 0.02 1 109 . 18 THR HG2 H 1.14 0.02 1 110 . 18 THR C C 174.2 0.05 1 111 . 18 THR CA C 61.9 0.05 1 112 . 18 THR CB C 69.8 0.05 1 113 . 18 THR CG2 C 21.5 0.05 1 114 . 18 THR N N 113.9 0.05 1 115 . 19 LEU H H 8.16 0.02 1 116 . 19 LEU HA H 4.30 0.02 1 117 . 19 LEU HB2 H 1.47 0.02 2 118 . 19 LEU HG H 1.47 0.02 1 119 . 19 LEU HD1 H 0.86 0.02 2 120 . 19 LEU C C 176.4 0.05 1 121 . 19 LEU CA C 55.1 0.05 1 122 . 19 LEU CB C 42.5 0.05 1 123 . 19 LEU CG C 26.6 0.05 1 124 . 19 LEU CD1 C 24.5 0.05 2 125 . 19 LEU CD2 C 23.4 0.05 2 126 . 19 LEU N N 124.4 0.05 1 127 . 20 PHE H H 8.18 0.02 1 128 . 20 PHE HA H 4.51 0.02 1 129 . 20 PHE HB2 H 2.97 0.02 2 130 . 20 PHE C C 173.9 0.05 1 131 . 20 PHE CA C 55.2 0.05 1 132 . 20 PHE CB C 38.9 0.05 1 133 . 20 PHE N N 121.4 0.05 1 134 . 21 PRO HA H 4.40 0.02 1 135 . 21 PRO HB2 H 2.27 0.02 2 136 . 21 PRO HG2 H 1.95 0.02 2 137 . 21 PRO C C 177.4 0.05 1 138 . 21 PRO CA C 63.7 0.05 1 139 . 21 PRO CB C 31.7 0.05 1 140 . 22 GLY H H 8.15 0.02 1 141 . 22 GLY HA2 H 3.95 0.02 2 142 . 22 GLY C C 174.2 0.05 1 143 . 22 GLY CA C 45.3 0.05 1 144 . 22 GLY N N 108.8 0.05 1 145 . 23 ASP H H 8.24 0.02 1 146 . 23 ASP HA H 4.71 0.02 1 147 . 23 ASP HB2 H 2.91 0.02 2 148 . 23 ASP C C 175.1 0.05 1 149 . 23 ASP CA C 52.9 0.05 1 150 . 23 ASP CB C 38.0 0.05 1 151 . 23 ASP N N 118.4 0.05 1 152 . 24 ASP H H 8.38 0.02 1 153 . 24 ASP HA H 4.70 0.02 1 154 . 24 ASP HB2 H 2.88 0.02 2 155 . 24 ASP C C 175.1 0.05 1 156 . 24 ASP CA C 53.2 0.05 1 157 . 24 ASP CB C 38.1 0.05 1 158 . 24 ASP N N 119.6 0.05 1 159 . 25 ASP H H 8.47 0.02 1 160 . 25 ASP HA H 4.70 0.02 1 161 . 25 ASP HB2 H 2.90 0.02 2 162 . 25 ASP C C 174.8 0.05 1 163 . 25 ASP CA C 53.1 0.05 1 164 . 25 ASP CB C 38.0 0.05 1 165 . 25 ASP N N 119.5 0.05 1 166 . 26 LEU H H 8.04 0.02 1 167 . 26 LEU HA H 4.32 0.02 1 168 . 26 LEU HB2 H 1.60 0.02 2 169 . 26 LEU HG H 1.53 0.02 1 170 . 26 LEU HD1 H 0.90 0.02 2 171 . 26 LEU C C 176.8 0.05 1 172 . 26 LEU CA C 55.1 0.05 1 173 . 26 LEU CB C 42.2 0.05 1 174 . 26 LEU CG C 26.6 0.05 1 175 . 26 LEU CD1 C 24.6 0.05 2 176 . 26 LEU CD2 C 23.1 0.05 2 177 . 26 LEU N N 122.0 0.05 1 178 . 27 ALA H H 8.12 0.02 1 179 . 27 ALA HA H 4.30 0.02 1 180 . 27 ALA HB H 1.45 0.02 1 181 . 27 ALA C C 177.2 0.05 1 182 . 27 ALA CA C 52.2 0.05 1 183 . 27 ALA CB C 19.0 0.05 1 184 . 27 ALA N N 124.4 0.05 1 185 . 28 ILE H H 8.17 0.02 1 186 . 28 ILE HA H 4.15 0.02 1 187 . 28 ILE HB H 1.84 0.02 1 188 . 28 ILE HG12 H 1.51 0.02 2 189 . 28 ILE HG13 H 1.21 0.02 2 190 . 28 ILE HG2 H 0.88 0.02 1 191 . 28 ILE C C 176.2 0.05 1 192 . 28 ILE CA C 61.1 0.05 1 193 . 28 ILE CB C 38.3 0.05 1 194 . 28 ILE CG1 C 27.2 0.05 1 195 . 28 ILE CG2 C 17.1 0.05 1 196 . 28 ILE N N 121.1 0.05 1 197 . 29 PRO HA H 4.40 0.02 1 198 . 29 PRO HB2 H 2.31 0.02 2 199 . 29 PRO HG2 H 1.90 0.02 2 200 . 29 PRO C C 176.8 0.05 1 201 . 29 PRO CA C 63.3 0.05 1 202 . 29 PRO CB C 32.0 0.05 1 203 . 30 ALA H H 8.45 0.02 1 204 . 30 ALA HA H 4.29 0.02 1 205 . 30 ALA HB H 1.45 0.02 1 206 . 30 ALA C C 178.2 0.05 1 207 . 30 ALA CA C 53.0 0.05 1 208 . 30 ALA CB C 19.0 0.05 1 209 . 30 ALA N N 124.4 0.05 1 210 . 31 THR H H 7.97 0.02 1 211 . 31 THR HA H 4.42 0.02 1 212 . 31 THR HB H 4.18 0.02 1 213 . 31 THR HG2 H 1.15 0.02 1 214 . 31 THR C C 174.6 0.05 1 215 . 31 THR CA C 62.0 0.05 1 216 . 31 THR CB C 69.7 0.05 1 217 . 31 THR CG2 C 21.6 0.05 1 218 . 31 THR N N 111.7 0.05 1 219 . 32 GLU H H 8.13 0.02 1 220 . 32 GLU HA H 4.28 0.02 1 221 . 32 GLU HB2 H 1.88 0.02 2 222 . 32 GLU C C 175.4 0.05 1 223 . 32 GLU CA C 55.8 0.05 1 224 . 32 GLU CB C 28.7 0.05 1 225 . 32 GLU N N 121.9 0.05 1 226 . 33 PHE H H 8.14 0.02 1 227 . 33 PHE HA H 4.54 0.02 1 228 . 33 PHE HB2 H 2.98 0.02 2 229 . 33 PHE C C 175.3 0.05 1 230 . 33 PHE CA C 57.8 0.05 1 231 . 33 PHE CB C 39.6 0.05 1 232 . 33 PHE N N 121.0 0.05 1 233 . 34 PHE H H 8.12 0.02 1 234 . 34 PHE HA H 4.62 0.02 1 235 . 34 PHE HB2 H 2.99 0.02 2 236 . 34 PHE HB3 H 3.12 0.02 2 237 . 34 PHE C C 175.4 0.05 1 238 . 34 PHE CA C 57.6 0.05 1 239 . 34 PHE CB C 39.5 0.05 1 240 . 34 PHE N N 121.5 0.05 1 241 . 35 SER H H 8.24 0.02 1 242 . 35 SER HA H 4.47 0.02 1 243 . 35 SER HB2 H 3.86 0.02 2 244 . 35 SER C C 174.8 0.05 1 245 . 35 SER CA C 58.0 0.05 1 246 . 35 SER CB C 63.8 0.05 1 247 . 35 SER N N 118.4 0.05 1 248 . 36 THR H H 8.23 0.02 1 249 . 36 THR HA H 4.40 0.02 1 250 . 36 THR HB H 4.23 0.02 1 251 . 36 THR HG2 H 1.24 0.02 1 252 . 36 THR C C 174.7 0.05 1 253 . 36 THR CA C 62.0 0.05 1 254 . 36 THR CB C 69.7 0.05 1 255 . 36 THR CG2 C 21.5 0.05 1 256 . 36 THR N N 116.2 0.05 1 257 . 37 LYS H H 8.25 0.02 1 258 . 37 LYS HA H 4.30 0.02 1 259 . 37 LYS HB2 H 1.78 0.02 2 260 . 37 LYS HG2 H 1.44 0.02 2 261 . 37 LYS C C 176.3 0.05 1 262 . 37 LYS CA C 56.4 0.05 1 263 . 37 LYS CB C 32.8 0.05 1 264 . 37 LYS CG C 24.6 0.05 1 265 . 37 LYS CD C 27.9 0.05 1 266 . 37 LYS CE C 41.4 0.05 1 267 . 37 LYS N N 123.4 0.05 1 268 . 38 ALA H H 8.21 0.02 1 269 . 38 ALA HA H 4.27 0.02 1 270 . 38 ALA HB H 1.42 0.02 1 271 . 38 ALA C C 177.3 0.05 1 272 . 38 ALA CA C 52.3 0.05 1 273 . 38 ALA CB C 19.0 0.05 1 274 . 38 ALA N N 125.1 0.05 1 275 . 39 ALA H H 8.23 0.02 1 276 . 39 ALA HA H 4.28 0.02 1 277 . 39 ALA HB H 1.39 0.02 1 278 . 39 ALA C C 177.6 0.05 1 279 . 39 ALA CA C 52.2 0.05 1 280 . 39 ALA CB C 19.0 0.05 1 281 . 39 ALA N N 123.8 0.05 1 282 . 40 LYS H H 8.29 0.02 1 283 . 40 LYS HA H 4.31 0.02 1 284 . 40 LYS HB2 H 1.77 0.02 2 285 . 40 LYS HG2 H 1.44 0.02 2 286 . 40 LYS C C 176.4 0.05 1 287 . 40 LYS CA C 56.1 0.05 1 288 . 40 LYS CB C 33.0 0.05 1 289 . 40 LYS N N 121.2 0.05 1 290 . 41 LYS H H 8.43 0.02 1 291 . 41 LYS HA H 4.32 0.02 1 292 . 41 LYS HB2 H 1.77 0.02 2 293 . 41 LYS HG2 H 1.65 0.02 2 294 . 41 LYS HD2 H 1.65 0.02 2 295 . 41 LYS C C 174.5 0.05 1 296 . 41 LYS CA C 54.3 0.05 1 297 . 41 LYS CB C 32.5 0.05 1 298 . 41 LYS N N 124.5 0.05 1 299 . 42 PRO HA H 4.42 0.02 1 300 . 42 PRO HB2 H 2.31 0.02 2 301 . 42 PRO HG2 H 1.89 0.02 2 302 . 42 PRO C C 176.8 0.05 1 303 . 42 PRO CA C 63.0 0.05 1 304 . 42 PRO CB C 31.9 0.05 1 305 . 43 GLU H H 8.47 0.02 1 306 . 43 GLU HA H 4.32 0.02 1 307 . 43 GLU HB2 H 2.04 0.02 2 308 . 43 GLU C C 175.8 0.05 1 309 . 43 GLU CA C 55.6 0.05 1 310 . 43 GLU CB C 28.9 0.05 1 311 . 43 GLU N N 121.2 0.05 1 312 . 44 ALA H H 8.41 0.02 1 313 . 44 ALA HA H 4.30 0.02 1 314 . 44 ALA HB H 1.40 0.02 1 315 . 44 ALA C C 177.6 0.05 1 316 . 44 ALA CA C 52.4 0.05 1 317 . 44 ALA CB C 18.9 0.05 1 318 . 44 ALA N N 126.2 0.05 1 319 . 45 LYS H H 8.37 0.02 1 320 . 45 LYS HA H 4.28 0.02 1 321 . 45 LYS HB2 H 1.78 0.02 2 322 . 45 LYS HG2 H 1.47 0.02 2 323 . 45 LYS C C 176.6 0.05 1 324 . 45 LYS CA C 56.3 0.05 1 325 . 45 LYS CB C 32.9 0.05 1 326 . 45 LYS CG C 24.7 0.05 1 327 . 45 LYS CE C 41.3 0.05 1 328 . 45 LYS N N 121.4 0.05 1 329 . 46 ARG H H 8.45 0.02 1 330 . 46 ARG HA H 4.32 0.02 1 331 . 46 ARG HB2 H 1.84 0.02 2 332 . 46 ARG HG2 H 1.69 0.02 2 333 . 46 ARG C C 176.2 0.05 1 334 . 46 ARG CA C 56.2 0.05 1 335 . 46 ARG CB C 30.7 0.05 1 336 . 46 ARG CG C 26.8 0.05 1 337 . 46 ARG CD C 42.7 0.05 1 338 . 46 ARG N N 123.0 0.05 1 339 . 47 GLU H H 8.45 0.02 1 340 . 47 GLU HA H 4.36 0.02 1 341 . 47 GLU HB2 H 2.04 0.02 2 342 . 47 GLU C C 175.6 0.05 1 343 . 47 GLU CA C 55.6 0.05 1 344 . 47 GLU CB C 28.9 0.05 1 345 . 47 GLU N N 122.3 0.05 1 346 . 48 ALA H H 8.39 0.02 1 347 . 48 ALA HA H 4.30 0.02 1 348 . 48 ALA HB H 1.45 0.02 1 349 . 48 ALA C C 177.5 0.05 1 350 . 48 ALA CA C 52.4 0.05 1 351 . 48 ALA CB C 18.9 0.05 1 352 . 48 ALA N N 125.9 0.05 1 353 . 49 ILE H H 8.17 0.02 1 354 . 49 ILE HA H 4.15 0.02 1 355 . 49 ILE HB H 1.84 0.02 1 356 . 49 ILE HG12 H 1.51 0.02 2 357 . 49 ILE HG13 H 1.21 0.02 2 358 . 49 ILE HG2 H 0.88 0.02 1 359 . 49 ILE C C 176.2 0.05 1 360 . 49 ILE CA C 61.1 0.05 1 361 . 49 ILE CB C 38.3 0.05 1 362 . 49 ILE CG1 C 27.2 0.05 1 363 . 49 ILE CG2 C 17.1 0.05 1 364 . 49 ILE N N 121.1 0.05 1 365 . 50 VAL H H 8.25 0.02 1 366 . 50 VAL HA H 4.09 0.02 1 367 . 50 VAL HB H 2.04 0.02 1 368 . 50 VAL HG1 H 0.93 0.02 2 369 . 50 VAL C C 176.2 0.05 1 370 . 50 VAL CA C 62.3 0.05 1 371 . 50 VAL CB C 32.5 0.05 1 372 . 50 VAL CG1 C 20.7 0.05 2 373 . 50 VAL N N 125.6 0.05 1 374 . 51 LYS H H 8.41 0.02 1 375 . 51 LYS HA H 4.27 0.02 1 376 . 51 LYS HB2 H 1.79 0.02 2 377 . 51 LYS HG2 H 1.44 0.02 2 378 . 51 LYS C C 176.4 0.05 1 379 . 51 LYS CA C 56.5 0.05 1 380 . 51 LYS CB C 32.8 0.05 1 381 . 51 LYS CG C 24.7 0.05 1 382 . 51 LYS N N 126.2 0.05 1 383 . 52 ALA H H 8.37 0.02 1 384 . 52 ALA HA H 4.28 0.02 1 385 . 52 ALA HB H 1.40 0.02 1 386 . 52 ALA C C 177.6 0.05 1 387 . 52 ALA CA C 52.7 0.05 1 388 . 52 ALA CB C 19.0 0.05 1 389 . 52 ALA N N 125.3 0.05 1 390 . 53 ASP H H 8.43 0.02 1 391 . 53 ASP HA H 4.68 0.02 1 392 . 53 ASP HB2 H 2.90 0.02 2 393 . 53 ASP C C 175.4 0.05 1 394 . 53 ASP CA C 53.0 0.05 1 395 . 53 ASP CB C 38.0 0.05 1 396 . 53 ASP N N 118.1 0.05 1 397 . 54 GLU H H 8.30 0.02 1 398 . 54 GLU HA H 4.36 0.02 1 399 . 54 GLU HB2 H 2.08 0.02 2 400 . 54 GLU C C 175.8 0.05 1 401 . 54 GLU CA C 56.2 0.05 1 402 . 54 GLU CB C 28.5 0.05 1 403 . 54 GLU N N 120.8 0.05 1 404 . 55 ASP H H 8.42 0.02 1 405 . 55 ASP HA H 4.73 0.02 1 406 . 55 ASP HB2 H 2.92 0.02 2 407 . 55 ASP C C 175.9 0.05 1 408 . 55 ASP CA C 53.1 0.05 1 409 . 55 ASP CB C 38.0 0.05 1 410 . 55 ASP N N 119.4 0.05 1 411 . 56 ASP H H 8.36 0.02 1 412 . 56 ASP HA H 4.63 0.02 1 413 . 56 ASP HB2 H 2.84 0.02 2 414 . 56 ASP C C 174.8 0.05 1 415 . 56 ASP CA C 53.7 0.05 1 416 . 56 ASP CB C 38.5 0.05 1 417 . 56 ASP N N 118.9 0.05 1 418 . 57 ASN H H 8.33 0.02 1 419 . 57 ASN HA H 4.70 0.02 1 420 . 57 ASN HB2 H 2.85 0.02 2 421 . 57 ASN C C 175.5 0.05 1 422 . 57 ASN CA C 53.1 0.05 1 423 . 57 ASN CB C 38.4 0.05 1 424 . 57 ASN N N 119.0 0.05 1 425 . 58 GLU H H 8.29 0.02 1 426 . 58 GLU HA H 4.30 0.02 1 427 . 58 GLU HB2 H 2.07 0.02 2 428 . 58 GLU C C 176.4 0.05 1 429 . 58 GLU CA C 56.6 0.05 1 430 . 58 GLU CB C 28.3 0.05 1 431 . 58 GLU N N 120.0 0.05 1 432 . 59 GLU H H 8.31 0.02 1 433 . 59 GLU HA H 4.37 0.02 1 434 . 59 GLU HB2 H 2.10 0.02 2 435 . 59 GLU C C 176.8 0.05 1 436 . 59 GLU CA C 56.0 0.05 1 437 . 59 GLU CB C 28.5 0.05 1 438 . 59 GLU N N 120.4 0.05 1 439 . 60 THR H H 8.17 0.02 1 440 . 60 THR HA H 4.35 0.02 1 441 . 60 THR HB H 4.22 0.02 1 442 . 60 THR HG2 H 1.24 0.02 1 443 . 60 THR C C 175.0 0.05 1 444 . 60 THR CA C 62.5 0.05 1 445 . 60 THR CB C 69.8 0.05 1 446 . 60 THR CG2 C 21.6 0.05 1 447 . 60 THR N N 114.9 0.05 1 448 . 61 LEU H H 8.19 0.02 1 449 . 61 LEU HA H 4.27 0.02 1 450 . 61 LEU HB2 H 1.67 0.02 2 451 . 61 LEU HG H 1.58 0.02 1 452 . 61 LEU HD1 H 0.90 0.02 2 453 . 61 LEU C C 177.8 0.05 1 454 . 61 LEU CA C 56.2 0.05 1 455 . 61 LEU CB C 41.9 0.05 1 456 . 61 LEU CG C 26.5 0.05 1 457 . 61 LEU N N 124.0 0.05 1 458 . 62 LYS H H 8.23 0.02 1 459 . 62 LYS HA H 4.28 0.02 1 460 . 62 LYS HB2 H 1.78 0.02 2 461 . 62 LYS HG2 H 1.48 0.02 2 462 . 62 LYS C C 176.6 0.05 1 463 . 62 LYS CA C 58.0 0.05 1 464 . 62 LYS CB C 32.6 0.05 1 465 . 62 LYS N N 120.8 0.05 1 466 . 63 GLN HA H 4.27 0.02 1 467 . 63 GLN HB2 H 2.06 0.02 2 468 . 63 GLN C C 176.4 0.05 1 469 . 63 GLN CA C 56.6 0.05 1 470 . 63 GLN CB C 29.1 0.05 1 471 . 63 GLN CG C 32.2 0.05 1 472 . 64 ARG H H 8.34 0.02 1 473 . 64 ARG HA H 4.28 0.02 1 474 . 64 ARG HB2 H 1.86 0.02 2 475 . 64 ARG C C 176.8 0.05 1 476 . 64 ARG CA C 56.8 0.05 1 477 . 64 ARG CB C 30.5 0.05 1 478 . 64 ARG CG C 27.1 0.05 1 479 . 64 ARG N N 121.9 0.05 1 480 . 65 LEU H H 8.32 0.02 1 481 . 65 LEU HA H 4.39 0.02 1 482 . 65 LEU HB2 H 1.68 0.02 2 483 . 65 LEU HG H 1.58 0.02 1 484 . 65 LEU HD1 H 0.90 0.02 2 485 . 65 LEU C C 177.9 0.05 1 486 . 65 LEU CA C 55.6 0.05 1 487 . 65 LEU CB C 42.0 0.05 1 488 . 65 LEU CG C 26.5 0.05 1 489 . 65 LEU CD1 C 24.5 0.05 2 490 . 65 LEU CD2 C 23.0 0.05 2 491 . 65 LEU N N 122.6 0.05 1 492 . 66 THR H H 8.11 0.02 1 493 . 66 THR HA H 4.32 0.02 1 494 . 66 THR HB H 4.20 0.02 1 495 . 66 THR HG2 H 1.21 0.02 1 496 . 66 THR C C 174.6 0.05 1 497 . 66 THR CA C 62.6 0.05 1 498 . 66 THR CB C 69.7 0.05 1 499 . 66 THR CG2 C 21.3 0.05 1 500 . 66 THR N N 114.6 0.05 1 501 . 67 ASN H H 8.40 0.02 1 502 . 67 ASN HA H 4.70 0.02 1 503 . 67 ASN HB2 H 2.91 0.02 2 504 . 67 ASN C C 175.6 0.05 1 505 . 67 ASN CA C 53.7 0.05 1 506 . 67 ASN CB C 38.4 0.05 1 507 . 67 ASN N N 120.7 0.05 1 508 . 68 LEU HA H 4.26 0.02 1 509 . 68 LEU HB2 H 1.65 0.02 2 510 . 68 LEU HG H 1.56 0.02 1 511 . 68 LEU HD1 H 0.91 0.02 2 512 . 68 LEU C C 177.6 0.05 1 513 . 68 LEU CA C 55.7 0.05 1 514 . 68 LEU CB C 42.1 0.05 1 515 . 68 LEU CG C 26.5 0.05 1 516 . 68 LEU CD1 C 24.4 0.05 1 517 . 68 LEU CD2 C 23.2 0.05 1 518 . 69 GLU H H 8.19 0.02 1 519 . 69 GLU HA H 4.34 0.02 1 520 . 69 GLU HB2 H 2.04 0.02 2 521 . 69 GLU C C 176.1 0.05 1 522 . 69 GLU CA C 56.0 0.05 1 523 . 69 GLU CB C 28.5 0.05 1 524 . 69 GLU N N 120.2 0.05 1 525 . 70 LYS H H 8.38 0.02 1 526 . 70 LYS HA H 4.29 0.02 1 527 . 70 LYS HB2 H 1.80 0.02 2 528 . 70 LYS HG2 H 1.50 0.02 2 529 . 70 LYS C C 176.5 0.05 1 530 . 70 LYS CA C 56.4 0.05 1 531 . 70 LYS CB C 30.7 0.05 1 532 . 70 LYS CG C 24.7 0.05 1 533 . 70 LYS CD C 29.0 0.05 1 534 . 70 LYS CE C 41.5 0.05 1 535 . 70 LYS N N 122.8 0.05 1 536 . 71 LYS H H 8.30 0.02 1 537 . 71 LYS HA H 4.30 0.02 1 538 . 71 LYS HB2 H 1.80 0.02 2 539 . 71 LYS HG2 H 1.53 0.02 2 540 . 71 LYS C C 176.4 0.05 1 541 . 71 LYS CA C 56.5 0.05 1 542 . 71 LYS CB C 32.8 0.05 1 543 . 71 LYS N N 123.0 0.05 1 544 . 72 ILE H H 8.22 0.02 1 545 . 72 ILE HA H 4.24 0.02 1 546 . 72 ILE HB H 1.88 0.02 1 547 . 72 ILE HG12 H 1.50 0.02 2 548 . 72 ILE HG13 H 1.20 0.02 2 549 . 72 ILE HG2 H 0.91 0.02 1 550 . 72 ILE C C 175.7 0.05 1 551 . 72 ILE CA C 61.0 0.05 1 552 . 72 ILE CB C 38.6 0.05 1 553 . 72 ILE CG1 C 27.0 0.05 1 554 . 72 ILE CG2 C 17.2 0.05 1 555 . 72 ILE N N 122.2 0.05 1 556 . 73 THR H H 8.29 0.02 1 557 . 73 THR HA H 4.34 0.02 1 558 . 73 THR HB H 4.20 0.02 1 559 . 73 THR HG2 H 1.20 0.02 1 560 . 73 THR C C 174.0 0.05 1 561 . 73 THR CA C 61.7 0.05 1 562 . 73 THR CB C 69.8 0.05 1 563 . 73 THR CG2 C 21.4 0.05 1 564 . 73 THR N N 118.8 0.05 1 565 . 74 ASN H H 8.50 0.02 1 566 . 74 ASN HA H 4.77 0.02 1 567 . 74 ASN HB2 H 2.80 0.02 2 568 . 74 ASN C C 176.7 0.05 1 569 . 74 ASN CA C 53.2 0.05 1 570 . 74 ASN CB C 38.8 0.05 1 571 . 74 ASN N N 121.9 0.05 1 572 . 75 VAL H H 8.20 0.02 1 573 . 75 VAL HA H 4.21 0.02 1 574 . 75 VAL HB H 2.12 0.02 1 575 . 75 VAL HG1 H 0.94 0.02 2 576 . 75 VAL C C 176.4 0.05 1 577 . 75 VAL CA C 62.5 0.05 1 578 . 75 VAL CB C 32.6 0.05 1 579 . 75 VAL CG1 C 20.6 0.05 1 580 . 75 VAL N N 120.6 0.05 1 581 . 76 THR H H 8.32 0.02 1 582 . 76 THR HA H 4.42 0.02 1 583 . 76 THR HB H 4.25 0.02 1 584 . 76 THR HG2 H 1.21 0.02 1 585 . 76 THR C C 174.8 0.05 1 586 . 76 THR CA C 62.0 0.05 1 587 . 76 THR CB C 69.8 0.05 1 588 . 76 THR CG2 C 21.5 0.05 1 589 . 76 THR N N 118.1 0.05 1 590 . 77 THR H H 8.15 0.02 1 591 . 77 THR HA H 4.34 0.02 1 592 . 77 THR HB H 4.22 0.02 1 593 . 77 THR HG2 H 1.19 0.02 1 594 . 77 THR C C 174.5 0.05 1 595 . 77 THR CA C 62.0 0.05 1 596 . 77 THR CB C 69.8 0.05 1 597 . 77 THR CG2 C 21.5 0.05 1 598 . 77 THR N N 116.8 0.05 1 599 . 78 LYS H H 8.28 0.02 1 600 . 78 LYS HA H 4.30 0.02 1 601 . 78 LYS HB2 H 1.84 0.02 2 602 . 78 LYS HB3 H 1.76 0.02 2 603 . 78 LYS C C 176.3 0.05 1 604 . 78 LYS CA C 56.6 0.05 1 605 . 78 LYS CB C 32.8 0.05 1 606 . 78 LYS N N 123.6 0.05 1 607 . 79 PHE H H 8.39 0.02 1 608 . 79 PHE HA H 4.64 0.02 1 609 . 79 PHE HB2 H 3.10 0.02 2 610 . 79 PHE HB3 H 2.97 0.02 2 611 . 79 PHE C C 176.5 0.05 1 612 . 79 PHE CA C 58.5 0.05 1 613 . 79 PHE N N 120.2 0.05 1 614 . 80 GLU HA H 4.30 0.02 1 615 . 80 GLU HB2 H 2.03 0.02 2 616 . 80 GLU C C 175.3 0.05 1 617 . 80 GLU CA C 56.1 0.05 1 618 . 80 GLU CB C 28.5 0.05 1 619 . 80 GLU CG C 37.1 0.05 1 620 . 81 GLN H H 8.20 0.02 1 621 . 81 GLN HA H 4.30 0.02 1 622 . 81 GLN HB2 H 2.00 0.02 2 623 . 81 GLN C C 176.4 0.05 1 624 . 81 GLN CA C 56.4 0.05 1 625 . 81 GLN CB C 29.2 0.05 1 626 . 81 GLN CG C 33.1 0.05 1 627 . 81 GLN N N 122.4 0.05 1 628 . 82 ILE H H 8.32 0.02 1 629 . 82 ILE HA H 4.14 0.02 1 630 . 82 ILE HB H 1.84 0.02 1 631 . 82 ILE HG12 H 1.48 0.02 2 632 . 82 ILE HG13 H 1.20 0.02 2 633 . 82 ILE C C 176.6 0.05 1 634 . 82 ILE CA C 61.1 0.05 1 635 . 82 ILE CB C 38.6 0.05 1 636 . 82 ILE CG1 C 27.5 0.05 1 637 . 82 ILE CG2 C 17.2 0.05 1 638 . 82 ILE N N 123.2 0.05 1 639 . 83 GLU H H 8.41 0.02 1 640 . 83 GLU HA H 4.30 0.02 1 641 . 83 GLU HB2 H 2.00 0.02 2 642 . 83 GLU C C 176.0 0.05 1 643 . 83 GLU CA C 56.6 0.05 1 644 . 83 GLU CB C 28.7 0.05 1 645 . 83 GLU N N 124.2 0.05 1 646 . 84 LYS H H 8.32 0.02 1 647 . 84 LYS HA H 4.33 0.02 1 648 . 84 LYS HB2 H 1.85 0.02 2 649 . 84 LYS HB3 H 1.77 0.02 2 650 . 84 LYS C C 176.6 0.05 1 651 . 84 LYS CA C 56.5 0.05 1 652 . 84 LYS CB C 32.8 0.05 1 653 . 84 LYS N N 123.2 0.05 1 654 . 85 CYS H H 8.39 0.02 1 655 . 85 CYS HA H 4.35 0.02 1 656 . 85 CYS HB2 H 2.95 0.02 2 657 . 85 CYS C C 174.5 0.05 1 658 . 85 CYS CA C 58.5 0.05 1 659 . 85 CYS CB C 27.9 0.05 1 660 . 85 CYS N N 120.2 0.05 1 661 . 86 CYS H H 8.50 0.02 1 662 . 86 CYS HA H 4.31 0.02 1 663 . 86 CYS HB2 H 2.95 0.02 2 664 . 86 CYS C C 174.4 0.05 1 665 . 86 CYS CA C 58.5 0.05 1 666 . 86 CYS CB C 27.9 0.05 1 667 . 86 CYS N N 122.4 0.05 1 668 . 87 LYS H H 8.41 0.02 1 669 . 87 LYS HA H 4.32 0.02 1 670 . 87 LYS HB2 H 1.85 0.02 2 671 . 87 LYS HB3 H 1.76 0.02 2 672 . 87 LYS C C 176.5 0.05 1 673 . 87 LYS CA C 55.8 0.05 1 674 . 87 LYS N N 124.2 0.05 1 675 . 88 ARG HA H 4.32 0.02 1 676 . 88 ARG HB2 H 1.80 0.02 2 677 . 88 ARG C C 176.1 0.05 1 678 . 88 ARG CA C 56.2 0.05 1 679 . 88 ARG CB C 30.9 0.05 1 680 . 89 ASN H H 8.52 0.02 1 681 . 89 ASN HA H 4.70 0.02 1 682 . 89 ASN HB2 H 2.91 0.02 2 683 . 89 ASN C C 175.1 0.05 1 684 . 89 ASN CA C 53.3 0.05 1 685 . 89 ASN CB C 38.5 0.05 1 686 . 89 ASN N N 120.0 0.05 1 687 . 90 ASP H H 8.28 0.02 1 688 . 90 ASP HA H 4.67 0.02 1 689 . 90 ASP HB2 H 2.87 0.02 2 690 . 90 ASP C C 175.8 0.05 1 691 . 90 ASP CA C 53.1 0.05 1 692 . 90 ASP CB C 38.0 0.05 1 693 . 90 ASP N N 120.6 0.05 1 694 . 91 GLU HA H 4.33 0.02 1 695 . 91 GLU HB2 H 2.07 0.02 2 696 . 91 GLU C C 176.2 0.05 1 697 . 91 GLU CA C 56.4 0.05 1 698 . 91 GLU CB C 28.5 0.05 1 699 . 91 GLU CG C 37.9 0.05 1 700 . 92 VAL H H 8.07 0.02 1 701 . 92 VAL HA H 4.00 0.02 1 702 . 92 VAL HB H 2.02 0.02 1 703 . 92 VAL HG1 H 0.90 0.02 2 704 . 92 VAL C C 176.1 0.05 1 705 . 92 VAL CA C 63.0 0.05 1 706 . 92 VAL CB C 32.2 0.05 1 707 . 92 VAL CG1 C 20.7 0.05 2 708 . 92 VAL N N 121.1 0.05 1 709 . 93 LEU H H 8.10 0.02 1 710 . 93 LEU HA H 4.30 0.02 1 711 . 93 LEU HB2 H 1.52 0.02 2 712 . 93 LEU HG H 1.52 0.02 1 713 . 93 LEU HD1 H 0.86 0.02 2 714 . 93 LEU C C 177.2 0.05 1 715 . 93 LEU CA C 55.3 0.05 1 716 . 93 LEU CB C 42.1 0.05 1 717 . 93 LEU CG C 26.6 0.05 1 718 . 93 LEU CD1 C 24.5 0.05 2 719 . 93 LEU N N 124.7 0.05 1 720 . 94 PHE H H 8.14 0.02 1 721 . 94 PHE HA H 4.63 0.02 1 722 . 94 PHE HB2 H 3.11 0.02 2 723 . 94 PHE HB3 H 2.98 0.02 2 724 . 94 PHE C C 175.8 0.05 1 725 . 94 PHE CA C 57.8 0.05 1 726 . 94 PHE CB C 39.6 0.05 1 727 . 94 PHE N N 121.0 0.05 1 728 . 95 ARG HA H 4.22 0.02 1 729 . 95 ARG HB2 H 1.80 0.02 2 730 . 95 ARG HG2 H 1.38 0.02 2 731 . 95 ARG HD2 H 3.02 0.02 2 732 . 95 ARG C C 176.1 0.05 1 733 . 95 ARG CA C 56.3 0.05 1 734 . 95 ARG CB C 30.8 0.05 1 735 . 95 ARG CG C 27.0 0.05 1 736 . 95 ARG CD C 42.6 0.05 1 737 . 96 LEU H H 8.18 0.02 1 738 . 96 LEU HA H 4.30 0.02 1 739 . 96 LEU HB2 H 1.65 0.02 2 740 . 96 LEU HG H 1.52 0.02 1 741 . 96 LEU HD1 H 0.94 0.02 2 742 . 96 LEU C C 177.5 0.05 1 743 . 96 LEU CA C 55.3 0.05 1 744 . 96 LEU CB C 42.1 0.05 1 745 . 96 LEU CG C 26.3 0.05 1 746 . 96 LEU CD1 C 23.5 0.05 2 747 . 96 LEU N N 122.9 0.05 1 748 . 97 GLU H H 8.31 0.02 1 749 . 97 GLU HA H 4.29 0.02 1 750 . 97 GLU HB2 H 2.08 0.02 2 751 . 97 GLU C C 176.0 0.05 1 752 . 97 GLU CA C 55.7 0.05 1 753 . 97 GLU CB C 30.4 0.05 1 754 . 97 GLU N N 120.7 0.05 1 755 . 98 ASN HA H 4.65 0.02 1 756 . 98 ASN HB2 H 2.76 0.02 2 757 . 98 ASN C C 175.2 0.05 1 758 . 98 ASN CA C 53.2 0.05 1 759 . 98 ASN CB C 38.7 0.05 1 760 . 99 HIS H H 8.54 0.02 1 761 . 99 HIS HA H 4.66 0.02 1 762 . 99 HIS HB2 H 3.27 0.02 2 763 . 99 HIS C C 174.3 0.05 1 764 . 99 HIS CA C 55.7 0.05 1 765 . 99 HIS CB C 28.6 0.05 1 766 . 99 HIS N N 119.3 0.05 1 767 . 100 ALA H H 8.38 0.02 1 768 . 100 ALA HA H 4.29 0.02 1 769 . 100 ALA HB H 1.44 0.02 1 770 . 100 ALA C C 178.0 0.05 1 771 . 100 ALA CA C 53.0 0.05 1 772 . 100 ALA CB C 19.0 0.05 1 773 . 100 ALA N N 124.5 0.05 1 774 . 101 GLU H H 8.22 0.02 1 775 . 101 GLU HA H 4.38 0.02 1 776 . 101 GLU HB2 H 2.07 0.02 2 777 . 101 GLU C C 176.5 0.05 1 778 . 101 GLU CA C 56.3 0.05 1 779 . 101 GLU CB C 28.8 0.05 1 780 . 101 GLU CG C 37.2 0.05 1 781 . 101 GLU N N 122.2 0.05 1 782 . 102 THR H H 8.20 0.02 1 783 . 102 THR HA H 4.32 0.02 1 784 . 102 THR HB H 4.20 0.02 1 785 . 102 THR HG2 H 1.22 0.02 1 786 . 102 THR C C 174.7 0.05 1 787 . 102 THR CA C 62.4 0.05 1 788 . 102 THR CB C 69.8 0.05 1 789 . 102 THR CG2 C 21.5 0.05 1 790 . 102 THR N N 116.0 0.05 1 791 . 103 LEU H H 8.24 0.02 1 792 . 103 LEU HA H 4.30 0.02 1 793 . 103 LEU HB2 H 1.62 0.02 2 794 . 103 LEU HG H 1.54 0.02 1 795 . 103 LEU HD1 H 0.90 0.02 2 796 . 103 LEU C C 177.5 0.05 1 797 . 103 LEU CA C 55.5 0.05 1 798 . 103 LEU CB C 42.1 0.05 1 799 . 103 LEU CG C 26.6 0.05 1 800 . 103 LEU CD1 C 24.3 0.05 2 801 . 103 LEU N N 124.8 0.05 1 802 . 104 ARG H H 8.30 0.02 1 803 . 104 ARG HA H 4.26 0.02 1 804 . 104 ARG HB2 H 1.82 0.02 2 805 . 104 ARG HG2 H 1.61 0.02 2 806 . 104 ARG HD2 H 2.84 0.02 2 807 . 104 ARG C C 176.4 0.05 1 808 . 104 ARG CA C 56.6 0.05 1 809 . 104 ARG CB C 30.4 0.05 1 810 . 104 ARG CG C 26.8 0.05 1 811 . 104 ARG CD C 42.4 0.05 1 812 . 104 ARG N N 122.0 0.05 1 813 . 105 ALA H H 8.24 0.02 1 814 . 105 ALA HA H 4.24 0.02 1 815 . 105 ALA HB H 1.41 0.02 1 816 . 105 ALA C C 177.2 0.05 1 817 . 105 ALA CA C 52.9 0.05 1 818 . 105 ALA CB C 18.9 0.05 1 819 . 105 ALA N N 124.8 0.05 1 820 . 106 ALA H H 8.20 0.02 1 821 . 106 ALA HA H 4.26 0.02 1 822 . 106 ALA HB H 1.41 0.02 1 823 . 106 ALA C C 177.8 0.05 1 824 . 106 ALA CA C 52.8 0.05 1 825 . 106 ALA CB C 19.0 0.05 1 826 . 106 ALA N N 122.7 0.05 1 827 . 107 MET H H 8.25 0.02 1 828 . 107 MET HA H 4.44 0.02 1 829 . 107 MET HB2 H 2.07 0.02 2 830 . 107 MET HG2 H 2.61 0.02 2 831 . 107 MET C C 176.6 0.05 1 832 . 107 MET CA C 55.9 0.05 1 833 . 107 MET CB C 32.6 0.05 1 834 . 107 MET CG C 31.5 0.05 1 835 . 107 MET N N 119.5 0.05 1 836 . 108 ILE H H 8.13 0.02 1 837 . 108 ILE HA H 4.16 0.02 1 838 . 108 ILE HB H 1.89 0.02 1 839 . 108 ILE HG12 H 1.50 0.02 2 840 . 108 ILE C C 176.4 0.05 1 841 . 108 ILE CA C 61.7 0.05 1 842 . 108 ILE CB C 37.7 0.05 1 843 . 108 ILE CG1 C 27.4 0.05 1 844 . 108 ILE CG2 C 17.0 0.05 1 845 . 108 ILE N N 121.9 0.05 1 846 . 109 SER H H 8.31 0.02 1 847 . 109 SER HA H 4.46 0.02 1 848 . 109 SER HB2 H 3.88 0.02 2 849 . 109 SER C C 176.4 0.05 1 850 . 109 SER CA C 58.4 0.05 1 851 . 109 SER CB C 63.8 0.05 1 852 . 109 SER N N 119.3 0.05 1 853 . 110 LEU H H 8.26 0.02 1 854 . 110 LEU HA H 4.33 0.02 1 855 . 110 LEU HB2 H 1.62 0.02 2 856 . 110 LEU HG H 1.55 0.02 1 857 . 110 LEU HD1 H 0.90 0.02 2 858 . 110 LEU C C 177.8 0.05 1 859 . 110 LEU CA C 55.3 0.05 1 860 . 110 LEU CB C 42.2 0.05 1 861 . 110 LEU CG C 26.3 0.05 1 862 . 110 LEU CD1 C 23.5 0.05 2 863 . 110 LEU N N 124.7 0.05 1 864 . 111 ALA H H 8.15 0.02 1 865 . 111 ALA HA H 4.24 0.02 1 866 . 111 ALA HB H 1.44 0.02 1 867 . 111 ALA C C 177.8 0.05 1 868 . 111 ALA CA C 52.7 0.05 1 869 . 111 ALA CB C 18.8 0.05 1 870 . 111 ALA N N 124.3 0.05 1 871 . 112 LYS H H 8.17 0.02 1 872 . 112 LYS HA H 4.29 0.02 1 873 . 112 LYS HB2 H 1.80 0.02 2 874 . 112 LYS HG2 H 1.50 0.02 2 875 . 112 LYS C C 176.6 0.05 1 876 . 112 LYS CA C 56.4 0.05 1 877 . 112 LYS CB C 32.9 0.05 1 878 . 112 LYS CG C 24.7 0.05 1 879 . 112 LYS CD C 29.0 0.05 1 880 . 112 LYS CE C 41.5 0.05 1 881 . 112 LYS N N 120.5 0.05 1 882 . 113 LYS H H 8.30 0.02 1 883 . 113 LYS HA H 4.30 0.02 1 884 . 113 LYS HB2 H 1.80 0.02 2 885 . 113 LYS HG2 H 1.53 0.02 2 886 . 113 LYS C C 176.4 0.05 1 887 . 113 LYS CA C 56.5 0.05 1 888 . 113 LYS CB C 32.8 0.05 1 889 . 113 LYS N N 123.0 0.05 1 890 . 114 ILE H H 8.22 0.02 1 891 . 114 ILE HA H 4.17 0.02 1 892 . 114 ILE HB H 1.84 0.02 1 893 . 114 ILE HG12 H 1.47 0.02 2 894 . 114 ILE HG13 H 1.18 0.02 2 895 . 114 ILE HG2 H 0.90 0.02 1 896 . 114 ILE C C 175.7 0.05 1 897 . 114 ILE CA C 61.0 0.05 1 898 . 114 ILE CB C 38.6 0.05 1 899 . 114 ILE CG1 C 26.9 0.05 1 900 . 114 ILE CG2 C 17.1 0.05 1 901 . 114 ILE N N 122.2 0.05 1 902 . 115 ASP H H 8.60 0.02 1 903 . 115 ASP HA H 4.78 0.02 1 904 . 115 ASP HB2 H 2.90 0.02 2 905 . 115 ASP C C 175.1 0.05 1 906 . 115 ASP CA C 52.9 0.05 1 907 . 115 ASP CB C 38.2 0.05 1 908 . 115 ASP N N 123.7 0.05 1 909 . 116 VAL H H 8.17 0.02 1 910 . 116 VAL HA H 4.11 0.02 1 911 . 116 VAL HB H 2.10 0.02 1 912 . 116 VAL HG1 H 0.94 0.02 2 913 . 116 VAL HG2 H 0.90 0.02 2 914 . 116 VAL C C 176.2 0.05 1 915 . 116 VAL CA C 62.5 0.05 1 916 . 116 VAL CB C 32.4 0.05 1 917 . 116 VAL CG1 C 20.6 0.05 2 918 . 116 VAL N N 121.1 0.05 1 919 . 117 GLN H H 8.50 0.02 1 920 . 117 GLN HA H 4.42 0.02 1 921 . 117 GLN HB2 H 2.07 0.02 2 922 . 117 GLN C C 176.2 0.05 1 923 . 117 GLN CA C 55.9 0.05 1 924 . 117 GLN CB C 29.2 0.05 1 925 . 117 GLN CG C 32.9 0.05 1 926 . 117 GLN N N 124.0 0.05 1 927 . 118 THR H H 8.22 0.02 1 928 . 118 THR HA H 4.42 0.02 1 929 . 118 THR HB H 4.26 0.02 1 930 . 118 THR HG2 H 1.21 0.02 1 931 . 118 THR C C 175.2 0.05 1 932 . 118 THR CA C 62.1 0.05 1 933 . 118 THR CB C 69.8 0.05 1 934 . 118 THR CG2 C 21.4 0.05 1 935 . 118 THR N N 115.3 0.05 1 936 . 119 GLY H H 8.45 0.02 1 937 . 119 GLY HA2 H 4.00 0.02 2 938 . 119 GLY C C 174.1 0.05 1 939 . 119 GLY CA C 45.3 0.05 1 940 . 119 GLY N N 111.2 0.05 1 941 . 120 ARG H H 8.31 0.02 1 942 . 120 ARG HA H 4.34 0.02 1 943 . 120 ARG HB2 H 1.81 0.02 2 944 . 120 ARG HG2 H 1.64 0.02 2 945 . 120 ARG C C 177.0 0.05 1 946 . 120 ARG CA C 56.3 0.05 1 947 . 120 ARG CB C 30.6 0.05 1 948 . 120 ARG CG C 26.8 0.05 1 949 . 120 ARG CD C 42.8 0.05 1 950 . 120 ARG N N 120.7 0.05 1 951 . 121 ARG H H 8.46 0.02 1 952 . 121 ARG HA H 4.27 0.02 1 953 . 121 ARG HB2 H 1.77 0.02 2 954 . 121 ARG HG3 H 1.62 0.02 2 955 . 121 ARG C C 176.6 0.05 1 956 . 121 ARG CA C 56.4 0.05 1 957 . 121 ARG CB C 30.5 0.05 1 958 . 121 ARG CG C 26.9 0.05 1 959 . 121 ARG CD C 42.9 0.05 1 960 . 121 ARG N N 122.6 0.05 1 961 . 122 GLN H H 8.43 0.02 1 962 . 122 GLN HA H 4.28 0.02 1 963 . 122 GLN HB2 H 1.96 0.02 2 964 . 122 GLN C C 175.7 0.05 1 965 . 122 GLN CA C 56.0 0.05 1 966 . 122 GLN CB C 29.2 0.05 1 967 . 122 GLN CG C 32.7 0.05 1 968 . 122 GLN N N 121.6 0.05 1 969 . 123 TYR H H 8.29 0.02 1 970 . 123 TYR HA H 4.54 0.02 1 971 . 123 TYR HB2 H 3.00 0.02 2 972 . 123 TYR C C 175.7 0.05 1 973 . 123 TYR CA C 58.1 0.05 1 974 . 123 TYR CB C 38.7 0.05 1 975 . 123 TYR N N 121.6 0.05 1 976 . 124 GLU H H 8.22 0.02 1 977 . 124 GLU HA H 4.30 0.02 1 978 . 124 GLU HB2 H 2.00 0.02 2 979 . 124 GLU C C 175.7 0.05 1 980 . 124 GLU CA C 55.6 0.05 1 981 . 124 GLU CB C 28.9 0.05 1 982 . 124 GLU N N 122.2 0.05 1 983 . 125 LYS H H 8.32 0.02 1 984 . 125 LYS HA H 4.25 0.02 1 985 . 125 LYS HB2 H 1.80 0.02 2 986 . 125 LYS HG2 H 1.47 0.02 2 987 . 125 LYS C C 176.6 0.05 1 988 . 125 LYS CA C 56.5 0.05 1 989 . 125 LYS CB C 32.8 0.05 1 990 . 125 LYS CG C 24.8 0.05 1 991 . 125 LYS N N 123.2 0.05 1 992 . 126 LEU H H 8.26 0.02 1 993 . 126 LEU HA H 4.31 0.02 1 994 . 126 LEU HB2 H 1.61 0.02 2 995 . 126 LEU HG H 1.52 0.02 1 996 . 126 LEU HD1 H 0.90 0.02 2 997 . 126 LEU C C 177.3 0.05 1 998 . 126 LEU CA C 55.2 0.05 1 999 . 126 LEU CB C 42.3 0.05 1 1000 . 126 LEU CG C 26.6 0.05 1 1001 . 126 LEU CD1 C 24.5 0.05 2 1002 . 126 LEU CD2 C 23.4 0.05 2 1003 . 126 LEU N N 124.1 0.05 1 1004 . 127 ALA H H 8.29 0.02 1 1005 . 127 ALA HA H 4.23 0.02 1 1006 . 127 ALA HB H 1.40 0.02 1 1007 . 127 ALA C C 178.0 0.05 1 1008 . 127 ALA CA C 52.7 0.05 1 1009 . 127 ALA CB C 18.9 0.02 1 1010 . 127 ALA N N 125.0 0.05 1 1011 . 128 ALA H H 8.20 0.02 1 1012 . 128 ALA HA H 4.22 0.02 1 1013 . 128 ALA HB H 1.41 0.02 1 1014 . 128 ALA C C 178.1 0.05 1 1015 . 128 ALA CA C 52.8 0.05 1 1016 . 128 ALA CB C 18.9 0.05 1 1017 . 128 ALA N N 123.1 0.05 1 1018 . 129 ALA H H 8.17 0.02 1 1019 . 129 ALA HA H 4.25 0.02 1 1020 . 129 ALA HB H 1.40 0.02 1 1021 . 129 ALA C C 178.1 0.05 1 1022 . 129 ALA CA C 52.8 0.05 1 1023 . 129 ALA CB C 18.9 0.05 1 1024 . 129 ALA N N 122.3 0.05 1 1025 . 130 LEU H H 8.03 0.02 1 1026 . 130 LEU HA H 4.26 0.02 1 1027 . 130 LEU HB2 H 1.59 0.02 2 1028 . 130 LEU HG H 1.50 0.02 1 1029 . 130 LEU HD1 H 0.88 0.02 2 1030 . 130 LEU C C 177.5 0.05 1 1031 . 130 LEU CA C 55.2 0.05 1 1032 . 130 LEU CB C 42.0 0.05 1 1033 . 130 LEU CG C 26.5 0.05 1 1034 . 130 LEU CD1 C 24.6 0.05 1 1035 . 130 LEU CD2 C 23.1 0.05 1 1036 . 130 LEU N N 120.3 0.05 1 1037 . 131 GLU H H 8.06 0.02 1 1038 . 131 GLU HA H 4.26 0.02 1 1039 . 131 GLU HB2 H 1.93 0.02 2 1040 . 131 GLU C C 175.8 0.05 1 1041 . 131 GLU CA C 55.7 0.05 1 1042 . 131 GLU CB C 28.7 0.05 1 1043 . 131 GLU N N 120.0 0.05 1 1044 . 132 HIS H H 8.48 0.02 1 1045 . 132 HIS HA H 4.66 0.02 1 1046 . 132 HIS HB2 H 3.15 0.02 2 1047 . 132 HIS C C 174.2 0.05 1 1048 . 132 HIS CA C 55.0 0.05 1 1049 . 132 HIS CB C 28.7 0.05 1 1050 . 132 HIS N N 119.0 0.05 1 1051 . 133 HIS H H 8.63 0.02 1 1052 . 133 HIS HA H 4.70 0.02 1 1053 . 133 HIS HB2 H 3.18 0.02 2 1054 . 133 HIS C C 174.2 0.05 1 1055 . 133 HIS CA C 55.1 0.05 1 1056 . 133 HIS CB C 28.8 0.05 1 1057 . 133 HIS N N 119.5 0.05 1 1058 . 134 HIS H H 8.78 0.02 1 1059 . 134 HIS HA H 4.70 0.02 1 1060 . 134 HIS HB2 H 3.19 0.02 2 1061 . 134 HIS C C 174.2 0.05 1 1062 . 134 HIS CA C 55.2 0.05 1 1063 . 134 HIS CB C 28.9 0.05 1 1064 . 134 HIS N N 120.1 0.05 1 1065 . 135 HIS H H 8.83 0.02 1 1066 . 135 HIS HA H 4.70 0.02 1 1067 . 135 HIS HB2 H 3.20 0.02 2 1068 . 135 HIS C C 174.1 0.05 1 1069 . 135 HIS CA C 55.3 0.05 1 1070 . 135 HIS CB C 29.0 0.05 1 1071 . 135 HIS N N 120.7 0.05 1 1072 . 136 HIS H H 8.75 0.02 1 1073 . 136 HIS HA H 4.68 0.02 1 1074 . 136 HIS HB2 H 3.24 0.02 2 1075 . 136 HIS C C 173.8 0.05 1 1076 . 136 HIS CA C 55.4 0.05 1 1077 . 136 HIS CB C 29.0 0.05 1 1078 . 136 HIS N N 121.0 0.05 1 1079 . 137 HIS H H 8.64 0.02 1 1080 . 137 HIS HA H 4.70 0.02 1 1081 . 137 HIS HB2 H 3.22 0.02 2 1082 . 137 HIS C C 177.7 0.05 1 1083 . 137 HIS CA C 56.1 0.05 1 1084 . 137 HIS CB C 29.0 0.05 1 1085 . 137 HIS N N 124.1 0.05 1 stop_ save_