data_4113 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N NMR Resonance Assignments of Vaccinia Glutaredoxin-1 in the Fully Reduced Form ; _BMRB_accession_number 4113 _BMRB_flat_file_name bmr4113.str _Entry_type original _Submission_date 1998-02-24 _Accession_date 1998-02-24 _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 Kelley John J. III 2 Bushweller John H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 654 "13C chemical shifts" 491 "15N chemical shifts" 115 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 1999-02-22 original author . stop_ _Original_release_date 1999-02-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Kelley, J. J. III, Bushweller, J., "1H, 13C, and 15N NMR Resonance Assignments of Vaccinia Glutaredoxin-1 in the Fully Reduced Form," J. Biomol. NMR 12, 353-355 (1998). ; _Citation_title ; 1H, 13C, and 15N NMR Resonance Assignments of Vaccinia Glutaredoxin-1 in the Fully Reduced Form ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 9752005 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kelley John J. III 2 Bushweller John H. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 12 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 353 _Page_last 355 _Year 1998 _Details . loop_ _Keyword 'assignment note' Grx-1 NMR 'nuclear magnetic resonance' 'resonance assignments' 'secondary structure' 'sequence-specific assignment' 'Vaccinia Glutaredoxin-1' stop_ save_ ################################## # Molecular system description # ################################## save_system_vacgrx-1 _Saveframe_category molecular_system _Mol_system_name 'Vaccinia Glutaredoxin-1' _Abbreviation_common vacgrx-1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label vacgrx-1 $vacgrx-1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_vacgrx-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Vaccinia Glutaredoxin-1' _Molecular_mass 12355.2 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 108 _Mol_residue_sequence ; MAEEFVQQRLANNKVTIFVK YTCPFCRNALDILNKFSFKR GAYEIVDIKEFKPENELRDY FEQITGGRTVPRIFFGKTSI GGYSDLLEIDNMDALGDILS SIGVLRTC ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 GLU 4 GLU 5 PHE 6 VAL 7 GLN 8 GLN 9 ARG 10 LEU 11 ALA 12 ASN 13 ASN 14 LYS 15 VAL 16 THR 17 ILE 18 PHE 19 VAL 20 LYS 21 TYR 22 THR 23 CYS 24 PRO 25 PHE 26 CYS 27 ARG 28 ASN 29 ALA 30 LEU 31 ASP 32 ILE 33 LEU 34 ASN 35 LYS 36 PHE 37 SER 38 PHE 39 LYS 40 ARG 41 GLY 42 ALA 43 TYR 44 GLU 45 ILE 46 VAL 47 ASP 48 ILE 49 LYS 50 GLU 51 PHE 52 LYS 53 PRO 54 GLU 55 ASN 56 GLU 57 LEU 58 ARG 59 ASP 60 TYR 61 PHE 62 GLU 63 GLN 64 ILE 65 THR 66 GLY 67 GLY 68 ARG 69 THR 70 VAL 71 PRO 72 ARG 73 ILE 74 PHE 75 PHE 76 GLY 77 LYS 78 THR 79 SER 80 ILE 81 GLY 82 GLY 83 TYR 84 SER 85 ASP 86 LEU 87 LEU 88 GLU 89 ILE 90 ASP 91 ASN 92 MET 93 ASP 94 ALA 95 LEU 96 GLY 97 ASP 98 ILE 99 LEU 100 SER 101 SER 102 ILE 103 GLY 104 VAL 105 LEU 106 ARG 107 THR 108 CYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-13 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 2HZE "Crystal Structures Of A Poxviral Glutaredoxin In The Oxidized And Reduced States Show Redox-Correlated Structural Changes" 100.00 114 99.07 100.00 4.21e-72 PDB 2HZF "Crystal Structures Of A Poxviral Glutaredoxin In The Oxidized And Reduced States Show Redox-Correlated Structural Changes" 100.00 114 99.07 100.00 4.21e-72 EMBL CAA43476 "12kD late protein [Vaccinia virus]" 100.00 108 100.00 100.00 7.17e-72 EMBL CAD90618 "R2L protein [Cowpox virus]" 100.00 108 99.07 100.00 3.03e-71 EMBL CAM58239 "Glutaredoxin-1 (Thioltransferase-1) [Vaccinia virus Ankara]" 100.00 108 100.00 100.00 7.17e-72 EMBL CRL86542 "CPXV079 protein [Cowpox virus]" 100.00 108 99.07 100.00 3.03e-71 EMBL CRL86837 "CPXV079 protein [Cowpox virus]" 100.00 108 99.07 100.00 3.03e-71 GB AAA48055 "putative O2L [Vaccinia virus Copenhagen]" 100.00 108 100.00 100.00 7.17e-72 GB AAA48249 "putative [Vaccinia virus]" 100.00 108 100.00 100.00 7.17e-72 GB AAB96432 "glutaredoxin 1 [Vaccinia virus]" 100.00 108 100.00 100.00 7.17e-72 GB AAF33928 "TO2L [Vaccinia virus Tian Tan]" 100.00 108 100.00 100.00 7.17e-72 GB AAG37534 "CMP66L [Camelpox virus CMS]" 100.00 108 98.15 100.00 5.46e-71 REF NP_536488 "Q2L [Monkeypox virus Zaire-96-I-16]" 100.00 108 98.15 99.07 3.76e-70 REF NP_570457 "CMLV067 [Camelpox virus]" 100.00 108 98.15 100.00 5.46e-71 REF NP_619866 "CPXV079 protein [Cowpox virus]" 100.00 108 98.15 100.00 7.25e-71 REF NP_671571 "EVM053 [Ectromelia virus]" 100.00 108 99.07 100.00 2.02e-71 REF YP_232951 "nonessential glutaredoxin [Vaccinia virus]" 100.00 108 100.00 100.00 7.17e-72 SP P68690 "RecName: Full=Glutaredoxin-1" 100.00 108 100.00 100.00 7.17e-72 SP P68691 "RecName: Full=Glutaredoxin-1" 100.00 108 100.00 100.00 7.17e-72 SP P68692 "RecName: Full=Glutaredoxin-1" 100.00 108 100.00 100.00 7.17e-72 SP Q6RZN3 "RecName: Full=Glutaredoxin-1" 100.00 108 100.00 100.00 7.17e-72 SP Q76ZV3 "RecName: Full=Glutaredoxin-1" 100.00 108 100.00 100.00 7.17e-72 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _ICTVdb_decimal_code _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $vacgrx-1 'Vaccinia Virus' 58.1.1.0.001 10254 . . Orthopoxvirus 'Vaccinia virus' 'WR(Western Reserve strain)' 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 $vacgrx-1 'recombinant technology' 'E. coli' Escherichia coli BL21DE3plyss plasmid pET(GRX) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $vacgrx-1 0.8 mM '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . na temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _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 TSP C 13 'methyl protons' ppm 0.0 . indirect . . . 0.25144954 DSS H 1 'methyl protons' ppm 0.0 external direct . . . . TSP N 15 'methyl protons' ppm 116.1 . indirect . . . 0.1013281444 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_conditions_one _Chem_shift_reference_set_label $chemical_shift_reference_one _Mol_system_component_name vacgrx-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 GLU HA H 2.65 . 1 2 . 3 GLU HB2 H 1.71 . 1 3 . 3 GLU HB3 H 1.71 . 1 4 . 3 GLU HG2 H 2.16 . 2 5 . 3 GLU HG3 H 1.95 . 2 6 . 3 GLU C C 177.00 . 1 7 . 3 GLU CA C 59.09 . 1 8 . 3 GLU CB C 29.58 . 1 9 . 3 GLU CG C 35.23 . 1 10 . 4 GLU H H 8.77 . 1 11 . 4 GLU HA H 3.96 . 1 12 . 4 GLU HB2 H 2.16 . 2 13 . 4 GLU HB3 H 1.98 . 2 14 . 4 GLU HG2 H 2.47 . 2 15 . 4 GLU HG3 H 2.29 . 2 16 . 4 GLU C C 177.5 . 1 17 . 4 GLU CA C 59.12 . 1 18 . 4 GLU CB C 28.29 . 1 19 . 4 GLU CG C 36.72 . 1 20 . 4 GLU N N 116.6 . 1 21 . 5 PHE H H 7.4 . 1 22 . 5 PHE HA H 4.09 . 1 23 . 5 PHE HB2 H 3.28 . 2 24 . 5 PHE HB3 H 2.64 . 2 25 . 5 PHE HD1 H 7.1 . 1 26 . 5 PHE HD2 H 7.1 . 1 27 . 5 PHE HE1 H 7.28 . 1 28 . 5 PHE HE2 H 7.28 . 1 29 . 5 PHE HZ H 7.24 . 1 30 . 5 PHE C C 176.3 . 1 31 . 5 PHE CA C 60.01 . 1 32 . 5 PHE CB C 39.2 . 1 33 . 5 PHE CD1 C 133.00 . 1 34 . 5 PHE CD2 C 133.00 . 1 35 . 5 PHE CE1 C 130.5 . 1 36 . 5 PHE CE2 C 130.5 . 1 37 . 5 PHE CZ C 129.6 . 1 38 . 5 PHE N N 118.00 . 1 39 . 6 VAL H H 7.03 . 1 40 . 6 VAL HA H 3.61 . 1 41 . 6 VAL HB H 1.93 . 1 42 . 6 VAL HG1 H 0.53 . 2 43 . 6 VAL HG2 H 0.57 . 2 44 . 6 VAL C C 177.9 . 1 45 . 6 VAL CA C 64.57 . 1 46 . 6 VAL CB C 33.02 . 1 47 . 6 VAL CG1 C 23.53 . 2 48 . 6 VAL CG2 C 19.97 . 2 49 . 6 VAL N N 113.00 . 1 50 . 7 GLN H H 8.82 . 1 51 . 7 GLN HA H 3.62 . 1 52 . 7 GLN HB2 H 2.17 . 2 53 . 7 GLN HB3 H 1.9 . 2 54 . 7 GLN HG2 H 2.52 . 1 55 . 7 GLN HG3 H 2.52 . 1 56 . 7 GLN HE21 H 7.48 . 2 57 . 7 GLN HE22 H 7.05 . 2 58 . 7 GLN C C 179.4 . 1 59 . 7 GLN CA C 58.31 . 1 60 . 7 GLN CB C 27.17 . 1 61 . 7 GLN CG C 33.3 . 1 62 . 7 GLN N N 113.2 . 1 63 . 7 GLN NE2 N 110.7 . 1 64 . 8 GLN H H 7.94 . 1 65 . 8 GLN HA H 4.12 . 1 66 . 8 GLN HB2 H 2.13 . 2 67 . 8 GLN HB3 H 2.05 . 2 68 . 8 GLN HG2 H 2.44 . 1 69 . 8 GLN HG3 H 2.44 . 1 70 . 8 GLN HE21 H 7.49 . 2 71 . 8 GLN HE22 H 6.83 . 2 72 . 8 GLN C C 176.9 . 1 73 . 8 GLN CA C 57.49 . 1 74 . 8 GLN CB C 28.27 . 1 75 . 8 GLN CG C 34.49 . 1 76 . 8 GLN N N 113.1 . 1 77 . 8 GLN NE2 N 110.1 . 1 78 . 9 ARG H H 7.26 . 1 79 . 9 ARG HA H 4.22 . 1 80 . 9 ARG HB2 H 1.64 . 2 81 . 9 ARG HB3 H 1.5 . 2 82 . 9 ARG HG2 H 1.63 . 2 83 . 9 ARG HG3 H 1.31 . 2 84 . 9 ARG HD2 H 2.8 . 1 85 . 9 ARG HD3 H 2.8 . 1 86 . 9 ARG HE H 7.28 . 1 87 . 9 ARG C C 175.6 . 1 88 . 9 ARG CA C 54.88 . 1 89 . 9 ARG CB C 30.87 . 1 90 . 9 ARG CG C 26.76 . 1 91 . 9 ARG CD C 42.21 . 1 92 . 9 ARG N N 113.5 . 1 93 . 9 ARG NE N 7.28 . 1 94 . 10 LEU H H 6.94 . 1 95 . 10 LEU HA H 4.43 . 1 96 . 10 LEU HB2 H 1.76 . 2 97 . 10 LEU HB3 H 1.01 . 2 98 . 10 LEU HG H 1.74 . 1 99 . 10 LEU HD1 H 0.22 . 2 100 . 10 LEU HD2 H 0.36 . 2 101 . 10 LEU C C 176.5 . 1 102 . 10 LEU CA C 53.51 . 1 103 . 10 LEU CB C 42.53 . 1 104 . 10 LEU CG C 25.29 . 1 105 . 10 LEU CD1 C 25.08 . 2 106 . 10 LEU CD2 C 21.16 . 2 107 . 10 LEU N N 115.7 . 1 108 . 11 ALA H H 8.15 . 1 109 . 11 ALA HA H 4.32 . 1 110 . 11 ALA HB H 1.28 . 1 111 . 11 ALA C C 175.5 . 1 112 . 11 ALA CA C 51.04 . 1 113 . 11 ALA CB C 22.36 . 1 114 . 11 ALA N N 120.2 . 1 115 . 12 ASN H H 8.59 . 1 116 . 12 ASN HA H 4.44 . 1 117 . 12 ASN HB2 H 2.76 . 2 118 . 12 ASN HB3 H 2.63 . 2 119 . 12 ASN HD21 H 7.72 . 2 120 . 12 ASN HD22 H 7.04 . 2 121 . 12 ASN CA C 54.33 . 1 122 . 12 ASN CB C 38.14 . 1 123 . 12 ASN N N 114.7 . 1 124 . 12 ASN ND2 N 111.8 . 1 125 . 13 ASN HA H 4.58 . 1 126 . 13 ASN HB2 H 2.85 . 1 127 . 13 ASN HB3 H 2.85 . 1 128 . 13 ASN HD21 H 6.77 . 2 129 . 13 ASN HD22 H 7.68 . 2 130 . 13 ASN C C 172.7 . 1 131 . 13 ASN CA C 53.13 . 1 132 . 13 ASN CB C 37.22 . 1 133 . 13 ASN ND2 N 109.3 . 1 134 . 14 LYS H H 6.82 . 1 135 . 14 LYS HA H 4.81 . 1 136 . 14 LYS HB2 H 1.67 . 1 137 . 14 LYS HB3 H 1.67 . 1 138 . 14 LYS C C 175.7 . 1 139 . 14 LYS CA C 55.16 . 1 140 . 14 LYS CB C 36.77 . 1 141 . 14 LYS N N 114.1 . 1 142 . 15 VAL H H 9.31 . 1 143 . 15 VAL HA H 5.03 . 1 144 . 15 VAL HB H 2.02 . 1 145 . 15 VAL HG1 H 0.88 . 2 146 . 15 VAL HG2 H 1.06 . 2 147 . 15 VAL C C 174.1 . 1 148 . 15 VAL CA C 61.61 . 1 149 . 15 VAL CB C 33.00 . 1 150 . 15 VAL CG1 C 23.05 . 2 151 . 15 VAL CG2 C 20.32 . 2 152 . 15 VAL N N 129.9 . 1 153 . 16 THR H H 9.01 . 1 154 . 16 THR HA H 5.2 . 1 155 . 16 THR HB H 3.69 . 1 156 . 16 THR HG2 H 0.51 . 1 157 . 16 THR C C 172.7 . 1 158 . 16 THR CA C 61.33 . 1 159 . 16 THR CB C 69.42 . 1 160 . 16 THR CG2 C 23.54 . 1 161 . 16 THR N N 123.3 . 1 162 . 17 ILE H H 8.75 . 1 163 . 17 ILE HA H 5.51 . 1 164 . 17 ILE HB H 1.5 . 1 165 . 17 ILE HG12 H 1.51 . 2 166 . 17 ILE HG13 H 0.82 . 2 167 . 17 ILE HG2 H 1.05 . 1 168 . 17 ILE HD1 H 0.75 . 1 169 . 17 ILE C C 171.8 . 1 170 . 17 ILE CA C 57.35 . 1 171 . 17 ILE CB C 41.85 . 1 172 . 17 ILE CG1 C 28.42 . 1 173 . 17 ILE CG2 C 16.24 . 1 174 . 17 ILE CD1 C 14.1 . 1 175 . 17 ILE N N 123.5 . 1 176 . 18 PHE H H 9.04 . 1 177 . 18 PHE HA H 5.39 . 1 178 . 18 PHE HB2 H 2.97 . 1 179 . 18 PHE HB3 H 2.97 . 1 180 . 18 PHE HD1 H 7.4 . 1 181 . 18 PHE HD2 H 7.4 . 1 182 . 18 PHE HE1 H 7.05 . 1 183 . 18 PHE HE2 H 7.05 . 1 184 . 18 PHE HZ H 7.16 . 1 185 . 18 PHE C C 176.1 . 1 186 . 18 PHE CA C 56.11 . 1 187 . 18 PHE CB C 40.3 . 1 188 . 18 PHE CD1 C 131.6 . 1 189 . 18 PHE CD2 C 131.6 . 1 190 . 18 PHE CE1 C 131.3 . 1 191 . 18 PHE CE2 C 131.3 . 1 192 . 18 PHE CZ C 130.2 . 1 193 . 18 PHE N N 126.2 . 1 194 . 19 VAL H H 9.29 . 1 195 . 19 VAL HA H 5.11 . 1 196 . 19 VAL HB H 1.67 . 1 197 . 19 VAL HG1 H 0.73 . 2 198 . 19 VAL HG2 H 0.05 . 2 199 . 19 VAL C C 175.00 . 1 200 . 19 VAL CA C 58.9 . 1 201 . 19 VAL CB C 36.72 . 1 202 . 19 VAL CG1 C 22.06 . 2 203 . 19 VAL CG2 C 16.78 . 2 204 . 19 VAL N N 111.1 . 1 205 . 20 LYS H H 7.65 . 1 206 . 20 LYS HA H 4.73 . 1 207 . 20 LYS HB2 H 1.97 . 2 208 . 20 LYS HB3 H 1.6 . 2 209 . 20 LYS HG2 H 1.54 . 1 210 . 20 LYS HG3 H 1.54 . 1 211 . 20 LYS HD2 H 1.74 . 1 212 . 20 LYS HD3 H 1.74 . 1 213 . 20 LYS HE2 H 2.91 . 1 214 . 20 LYS HE3 H 2.91 . 1 215 . 20 LYS C C 177.6 . 1 216 . 20 LYS CA C 57.29 . 1 217 . 20 LYS CB C 36.24 . 1 218 . 20 LYS CG C 26.31 . 1 219 . 20 LYS CD C 29.5 . 1 220 . 20 LYS CE C 41.28 . 1 221 . 20 LYS N N 115.4 . 1 222 . 21 TYR H H 9.94 . 1 223 . 21 TYR HA H 4.07 . 1 224 . 21 TYR HB2 H 3.17 . 2 225 . 21 TYR HB3 H 2.82 . 2 226 . 21 TYR HD1 H 6.74 . 1 227 . 21 TYR HD2 H 6.74 . 1 228 . 21 TYR HE1 H 7.16 . 1 229 . 21 TYR HE2 H 7.16 . 1 230 . 21 TYR C C 176.1 . 1 231 . 21 TYR CA C 62.04 . 1 232 . 21 TYR CB C 37.4 . 1 233 . 21 TYR CD1 C 131.9 . 1 234 . 21 TYR CD2 C 131.9 . 1 235 . 21 TYR CE1 C 117.5 . 1 236 . 21 TYR CE2 C 117.5 . 1 237 . 21 TYR N N 121.6 . 1 238 . 22 THR H H 7.14 . 1 239 . 22 THR HA H 4.17 . 1 240 . 22 THR HB H 4.54 . 1 241 . 22 THR HG2 H 1.25 . 1 242 . 22 THR C C 173.5 . 1 243 . 22 THR CA C 60.65 . 1 244 . 22 THR CB C 68.51 . 1 245 . 22 THR CG2 C 21.88 . 1 246 . 22 THR N N 103.4 . 1 247 . 23 CYS H H 7.23 . 1 248 . 23 CYS HA H 4.95 . 1 249 . 23 CYS HB2 H 2.86 . 2 250 . 23 CYS HB3 H 3.11 . 2 251 . 23 CYS CA C 55.62 . 1 252 . 23 CYS CB C 30.46 . 1 253 . 23 CYS N N 126.1 . 1 254 . 24 PRO HA H 4.09 . 1 255 . 24 PRO HB2 H 2.14 . 2 256 . 24 PRO HB3 H 1.53 . 2 257 . 24 PRO HG2 H 1.87 . 2 258 . 24 PRO HG3 H 1.48 . 2 259 . 24 PRO HD2 H 4.17 . 2 260 . 24 PRO HD3 H 3.89 . 2 261 . 24 PRO C C 179.1 . 1 262 . 24 PRO CA C 64.35 . 1 263 . 24 PRO CB C 32.00 . 1 264 . 24 PRO CG C 26.48 . 1 265 . 24 PRO CD C 51.39 . 1 266 . 25 PHE H H 8.88 . 1 267 . 25 PHE HA H 3.88 . 1 268 . 25 PHE HB2 H 3.13 . 2 269 . 25 PHE HB3 H 2.8 . 2 270 . 25 PHE HD1 H 7.17 . 1 271 . 25 PHE HD2 H 7.17 . 1 272 . 25 PHE HE1 H 7.45 . 1 273 . 25 PHE HE2 H 7.45 . 1 274 . 25 PHE HZ H 7.38 . 1 275 . 25 PHE C C 179.00 . 1 276 . 25 PHE CA C 60.76 . 1 277 . 25 PHE CB C 37.86 . 1 278 . 25 PHE CD1 C 131.5 . 1 279 . 25 PHE CD2 C 131.5 . 1 280 . 25 PHE CE1 C 131.3 . 1 281 . 25 PHE CE2 C 131.3 . 1 282 . 25 PHE CZ C 129.9 . 1 283 . 25 PHE N N 122.9 . 1 284 . 26 CYS H H 9.49 . 1 285 . 26 CYS HA H 3.85 . 1 286 . 26 CYS HB2 H 2.25 . 2 287 . 26 CYS HB3 H 1.87 . 2 288 . 26 CYS C C 176.5 . 1 289 . 26 CYS CA C 64.47 . 1 290 . 26 CYS CB C 29.07 . 1 291 . 26 CYS N N 123.8 . 1 292 . 27 ARG H H 8.22 . 1 293 . 27 ARG HA H 3.91 . 1 294 . 27 ARG HB2 H 1.94 . 2 295 . 27 ARG HB3 H 1.86 . 2 296 . 27 ARG HG2 H 1.87 . 2 297 . 27 ARG HG3 H 1.57 . 2 298 . 27 ARG HD2 H 3.38 . 2 299 . 27 ARG HD3 H 3.2 . 2 300 . 27 ARG HE H 7.37 . 1 301 . 27 ARG C C 178.3 . 1 302 . 27 ARG CA C 60.09 . 1 303 . 27 ARG CB C 29.41 . 1 304 . 27 ARG CG C 27.19 . 1 305 . 27 ARG CD C 43.15 . 1 306 . 27 ARG N N 117.4 . 1 307 . 27 ARG NE N 83.09 . 1 308 . 28 ASN H H 8.04 . 1 309 . 28 ASN HA H 4.49 . 1 310 . 28 ASN HB2 H 2.71 . 2 311 . 28 ASN HB3 H 2.42 . 2 312 . 28 ASN HD21 H 6.89 . 2 313 . 28 ASN HD22 H 6.6 . 2 314 . 28 ASN C C 178.2 . 1 315 . 28 ASN CA C 55.44 . 1 316 . 28 ASN CB C 37.72 . 1 317 . 28 ASN N N 116.3 . 1 318 . 28 ASN ND2 N 107.5 . 1 319 . 29 ALA H H 8.21 . 1 320 . 29 ALA HA H 4.21 . 1 321 . 29 ALA HB H 1.57 . 1 322 . 29 ALA C C 178.5 . 1 323 . 29 ALA CA C 55.1 . 1 324 . 29 ALA CB C 18.54 . 1 325 . 29 ALA N N 121.6 . 1 326 . 30 LEU H H 8.44 . 1 327 . 30 LEU HA H 4.07 . 1 328 . 30 LEU HB2 H 2.13 . 2 329 . 30 LEU HB3 H 1.55 . 2 330 . 30 LEU HG H 1.93 . 1 331 . 30 LEU HD1 H 0.89 . 2 332 . 30 LEU HD2 H 0.99 . 2 333 . 30 LEU C C 179.8 . 1 334 . 30 LEU CA C 57.41 . 1 335 . 30 LEU CB C 40.52 . 1 336 . 30 LEU CG C 26.53 . 1 337 . 30 LEU CD1 C 25.29 . 2 338 . 30 LEU CD2 C 24.29 . 2 339 . 30 LEU N N 116.4 . 1 340 . 31 ASP H H 8.13 . 1 341 . 31 ASP HA H 4.5 . 1 342 . 31 ASP HB2 H 2.93 . 2 343 . 31 ASP HB3 H 2.71 . 2 344 . 31 ASP C C 179.1 . 1 345 . 31 ASP CA C 57.16 . 1 346 . 31 ASP CB C 40.1 . 1 347 . 31 ASP N N 118.4 . 1 348 . 32 ILE H H 7.56 . 1 349 . 32 ILE HA H 3.78 . 1 350 . 32 ILE HB H 2.18 . 1 351 . 32 ILE HG12 H 2.03 . 2 352 . 32 ILE HG13 H 1.16 . 2 353 . 32 ILE HG2 H 0.86 . 1 354 . 32 ILE HD1 H 0.94 . 1 355 . 32 ILE C C 177.9 . 1 356 . 32 ILE CA C 65.24 . 1 357 . 32 ILE CB C 37.66 . 1 358 . 32 ILE CG1 C 28.71 . 1 359 . 32 ILE CG2 C 16.99 . 1 360 . 32 ILE CD1 C 14.1 . 1 361 . 32 ILE N N 119.2 . 1 362 . 33 LEU H H 7.73 . 1 363 . 33 LEU HA H 4.32 . 1 364 . 33 LEU HB2 H 2.14 . 2 365 . 33 LEU HB3 H 1.55 . 2 366 . 33 LEU HG H 1.94 . 1 367 . 33 LEU HD1 H 1.01 . 2 368 . 33 LEU HD2 H 1.04 . 2 369 . 33 LEU C C 177.7 . 1 370 . 33 LEU CA C 57.63 . 1 371 . 33 LEU CB C 40.69 . 1 372 . 33 LEU CG C 28.02 . 1 373 . 33 LEU CD1 C 26.01 . 2 374 . 33 LEU CD2 C 22.69 . 2 375 . 33 LEU N N 116.1 . 1 376 . 34 ASN H H 8.27 . 1 377 . 34 ASN HA H 4.9 . 1 378 . 34 ASN HB2 H 3.07 . 2 379 . 34 ASN HB3 H 2.98 . 2 380 . 34 ASN HD21 H 7.87 . 2 381 . 34 ASN HD22 H 6.89 . 2 382 . 34 ASN C C 175.8 . 1 383 . 34 ASN CA C 53.83 . 1 384 . 34 ASN CB C 38.33 . 1 385 . 34 ASN N N 113.3 . 1 386 . 34 ASN ND2 N 111.8 . 1 387 . 35 LYS H H 7.3 . 1 388 . 35 LYS HA H 3.96 . 1 389 . 35 LYS HB2 H 1.5 . 2 390 . 35 LYS HB3 H 1.28 . 2 391 . 35 LYS HG2 H 1.28 . 1 392 . 35 LYS HG3 H 1.28 . 1 393 . 35 LYS HD2 H 1.63 . 1 394 . 35 LYS HD3 H 1.63 . 1 395 . 35 LYS HE2 H 2.91 . 1 396 . 35 LYS HE3 H 2.91 . 1 397 . 35 LYS C C 176.00 . 1 398 . 35 LYS CA C 57.5 . 1 399 . 35 LYS CB C 31.76 . 1 400 . 35 LYS CG C 24.34 . 1 401 . 35 LYS CD C 29.77 . 1 402 . 35 LYS CE C 41.2 . 1 403 . 35 LYS N N 115.00 . 1 404 . 36 PHE H H 7.47 . 1 405 . 36 PHE HA H 4.17 . 1 406 . 36 PHE HB2 H 2.31 . 2 407 . 36 PHE HB3 H 2.14 . 2 408 . 36 PHE HD1 H 7.18 . 1 409 . 36 PHE HD2 H 7.18 . 1 410 . 36 PHE HE1 H 7.43 . 1 411 . 36 PHE HE2 H 7.43 . 1 412 . 36 PHE HZ H 7.03 . 1 413 . 36 PHE C C 173.4 . 1 414 . 36 PHE CA C 57.24 . 1 415 . 36 PHE CB C 39.77 . 1 416 . 36 PHE CD1 C 130.5 . 1 417 . 36 PHE CD2 C 130.5 . 1 418 . 36 PHE CE1 C 131.9 . 1 419 . 36 PHE CE2 C 131.9 . 1 420 . 36 PHE CZ C 131.1 . 1 421 . 36 PHE N N 117.4 . 1 422 . 37 SER H H 8.5 . 1 423 . 37 SER HA H 4.63 . 1 424 . 37 SER HB2 H 3.71 . 1 425 . 37 SER HB3 H 3.71 . 1 426 . 37 SER C C 173.8 . 1 427 . 37 SER CA C 55.87 . 1 428 . 37 SER CB C 62.83 . 1 429 . 37 SER N N 114.6 . 1 430 . 38 PHE H H 8.68 . 1 431 . 38 PHE HA H 5.01 . 1 432 . 38 PHE HB2 H 3.14 . 2 433 . 38 PHE HB3 H 2.87 . 2 434 . 38 PHE HD1 H 7.05 . 1 435 . 38 PHE HD2 H 7.05 . 1 436 . 38 PHE HE1 H 6.83 . 1 437 . 38 PHE HE2 H 6.83 . 1 438 . 38 PHE HZ H 6.61 . 1 439 . 38 PHE C C 177.9 . 1 440 . 38 PHE CA C 58.03 . 1 441 . 38 PHE CB C 41.22 . 1 442 . 38 PHE CD1 C 131.6 . 1 443 . 38 PHE CD2 C 131.6 . 1 444 . 38 PHE CE1 C 130.8 . 1 445 . 38 PHE CE2 C 130.8 . 1 446 . 38 PHE CZ C 127.9 . 1 447 . 38 PHE N N 123.9 . 1 448 . 39 LYS H H 8.58 . 1 449 . 39 LYS HA H 4.09 . 1 450 . 39 LYS HB2 H 1.88 . 2 451 . 39 LYS HB3 H 1.56 . 2 452 . 39 LYS HG2 H 1.33 . 2 453 . 39 LYS HG3 H 1.13 . 2 454 . 39 LYS HD2 H 1.7 . 1 455 . 39 LYS HD3 H 1.7 . 1 456 . 39 LYS HE2 H 2.98 . 1 457 . 39 LYS HE3 H 2.98 . 1 458 . 39 LYS C C 176.9 . 1 459 . 39 LYS CA C 56.45 . 1 460 . 39 LYS CB C 33.74 . 1 461 . 39 LYS CG C 26.03 . 1 462 . 39 LYS CD C 29.6 . 1 463 . 39 LYS CE C 42.00 . 1 464 . 39 LYS N N 120.5 . 1 465 . 40 ARG H H 8.85 . 1 466 . 40 ARG HA H 4.15 . 1 467 . 40 ARG HB2 H 1.84 . 1 468 . 40 ARG HB3 H 1.84 . 1 469 . 40 ARG HG2 H 1.77 . 2 470 . 40 ARG HG3 H 1.63 . 2 471 . 40 ARG HD2 H 3.25 . 1 472 . 40 ARG HD3 H 3.25 . 1 473 . 40 ARG C C 177.9 . 1 474 . 40 ARG CA C 58.1 . 1 475 . 40 ARG CB C 29.29 . 1 476 . 40 ARG CG C 26.61 . 1 477 . 40 ARG CD C 43.07 . 1 478 . 40 ARG N N 123.4 . 1 479 . 41 GLY H H 9.00 . 1 480 . 41 GLY HA2 H 4.24 . 2 481 . 41 GLY HA3 H 3.79 . 2 482 . 41 GLY C C 174.1 . 1 483 . 41 GLY CA C 45.42 . 1 484 . 41 GLY N N 114.2 . 1 485 . 42 ALA H H 8.00 . 1 486 . 42 ALA HA H 4.61 . 1 487 . 42 ALA HB H 1.74 . 1 488 . 42 ALA C C 174.4 . 1 489 . 42 ALA CA C 52.12 . 1 490 . 42 ALA CB C 20.45 . 1 491 . 42 ALA N N 119.5 . 1 492 . 43 TYR H H 7.53 . 1 493 . 43 TYR HA H 5.7 . 1 494 . 43 TYR HB2 H 2.29 . 2 495 . 43 TYR HB3 H 1.96 . 2 496 . 43 TYR HD1 H 6.61 . 1 497 . 43 TYR HD2 H 6.61 . 1 498 . 43 TYR HE1 H 6.46 . 1 499 . 43 TYR HE2 H 6.46 . 1 500 . 43 TYR C C 174.6 . 1 501 . 43 TYR CA C 53.92 . 1 502 . 43 TYR CB C 40.08 . 1 503 . 43 TYR CD1 C 131.6 . 1 504 . 43 TYR CD2 C 131.6 . 1 505 . 43 TYR CE1 C 116.9 . 1 506 . 43 TYR CE2 C 116.9 . 1 507 . 43 TYR N N 118.1 . 1 508 . 44 GLU H H 8.74 . 1 509 . 44 GLU HA H 4.24 . 1 510 . 44 GLU HB2 H 1.55 . 1 511 . 44 GLU HB3 H 1.55 . 1 512 . 44 GLU HG2 H 2.13 . 2 513 . 44 GLU HG3 H 1.67 . 2 514 . 44 GLU C C 171.9 . 1 515 . 44 GLU CA C 54.87 . 1 516 . 44 GLU CB C 33.72 . 1 517 . 44 GLU CG C 35.62 . 1 518 . 44 GLU N N 129.5 . 1 519 . 45 ILE H H 8.25 . 1 520 . 45 ILE HA H 4.16 . 1 521 . 45 ILE HB H 1.46 . 1 522 . 45 ILE HG12 H 0.86 . 2 523 . 45 ILE HG13 H 0.53 . 2 524 . 45 ILE HG2 H 0.68 . 1 525 . 45 ILE HD1 H 0.85 . 1 526 . 45 ILE C C 176.00 . 1 527 . 45 ILE CA C 59.67 . 1 528 . 45 ILE CB C 38.94 . 1 529 . 45 ILE CG1 C 25.21 . 1 530 . 45 ILE CG2 C 19.61 . 1 531 . 45 ILE CD1 C 14.77 . 1 532 . 45 ILE N N 126.6 . 1 533 . 46 VAL H H 9.25 . 1 534 . 46 VAL HA H 4.08 . 1 535 . 46 VAL HB H 1.44 . 1 536 . 46 VAL HG1 H 0.78 . 2 537 . 46 VAL HG2 H 0.1 . 2 538 . 46 VAL C C 174.1 . 1 539 . 46 VAL CA C 60.84 . 1 540 . 46 VAL CB C 32.67 . 1 541 . 46 VAL CG1 C 21.31 . 2 542 . 46 VAL CG2 C 19.81 . 2 543 . 46 VAL N N 129.00 . 1 544 . 47 ASP H H 8.93 . 1 545 . 47 ASP HA H 4.91 . 1 546 . 47 ASP HB2 H 3.13 . 2 547 . 47 ASP HB3 H 2.73 . 2 548 . 47 ASP C C 178.9 . 1 549 . 47 ASP CA C 52.61 . 1 550 . 47 ASP CB C 41.24 . 1 551 . 47 ASP N N 127.1 . 1 552 . 48 ILE H H 9.17 . 1 553 . 48 ILE HA H 4.52 . 1 554 . 48 ILE HB H 2.36 . 1 555 . 48 ILE HG12 H 1.37 . 2 556 . 48 ILE HG13 H 1.31 . 2 557 . 48 ILE HG2 H 1.46 . 1 558 . 48 ILE HD1 H 0.95 . 1 559 . 48 ILE C C 177.8 . 1 560 . 48 ILE CA C 62.87 . 1 561 . 48 ILE CB C 37.62 . 1 562 . 48 ILE CG1 C 26.14 . 1 563 . 48 ILE CG2 C 20.2 . 1 564 . 48 ILE CD1 C 15.59 . 1 565 . 48 ILE N N 118.8 . 1 566 . 49 LYS H H 8.81 . 1 567 . 49 LYS HA H 4.2 . 1 568 . 49 LYS HB2 H 2.16 . 2 569 . 49 LYS HB3 H 1.95 . 2 570 . 49 LYS HG2 H 1.56 . 2 571 . 49 LYS HG3 H 1.44 . 2 572 . 49 LYS HD2 H 1.8 . 1 573 . 49 LYS HD3 H 1.8 . 1 574 . 49 LYS HE2 H 3.04 . 1 575 . 49 LYS HE3 H 3.04 . 1 576 . 49 LYS C C 176.9 . 1 577 . 49 LYS CA C 58.82 . 1 578 . 49 LYS CB C 31.68 . 1 579 . 49 LYS CG C 24.54 . 1 580 . 49 LYS CD C 29.36 . 1 581 . 49 LYS CE C 42.44 . 1 582 . 49 LYS N N 122.5 . 1 583 . 50 GLU H H 8.1 . 1 584 . 50 GLU HA H 4.25 . 1 585 . 50 GLU HB2 H 2.32 . 2 586 . 50 GLU HB3 H 2.02 . 2 587 . 50 GLU HG2 H 2.48 . 2 588 . 50 GLU HG3 H 2.29 . 2 589 . 50 GLU C C 176.00 . 1 590 . 50 GLU CA C 56.31 . 1 591 . 50 GLU CB C 29.9 . 1 592 . 50 GLU CG C 36.39 . 1 593 . 50 GLU N N 114.4 . 1 594 . 51 PHE H H 7.7 . 1 595 . 51 PHE HA H 3.94 . 1 596 . 51 PHE HB2 H 2.55 . 2 597 . 51 PHE HB3 H 1.65 . 2 598 . 51 PHE HD1 H 6.34 . 1 599 . 51 PHE HD2 H 6.34 . 1 600 . 51 PHE HE1 H 7.11 . 1 601 . 51 PHE HE2 H 7.11 . 1 602 . 51 PHE HZ H 7.13 . 1 603 . 51 PHE C C 174.2 . 1 604 . 51 PHE CA C 58.71 . 1 605 . 51 PHE CB C 39.1 . 1 606 . 51 PHE CD1 C 131.63 . 1 607 . 51 PHE CD2 C 131.63 . 1 608 . 51 PHE CE1 C 131.34 . 1 609 . 51 PHE CE2 C 131.34 . 1 610 . 51 PHE CZ C 129.08 . 1 611 . 51 PHE N N 120.1 . 1 612 . 52 LYS H H 7.18 . 1 613 . 52 LYS HA H 4.57 . 1 614 . 52 LYS HB2 H 1.58 . 2 615 . 52 LYS HB3 H 1.41 . 2 616 . 52 LYS HG2 H 1.29 . 1 617 . 52 LYS HG3 H 1.29 . 1 618 . 52 LYS HD2 H 1.59 . 1 619 . 52 LYS HD3 H 1.59 . 1 620 . 52 LYS HE2 H 2.95 . 1 621 . 52 LYS HE3 H 2.95 . 1 622 . 52 LYS CA C 52.24 . 1 623 . 52 LYS CB C 34.54 . 1 624 . 52 LYS CG C 24.29 . 1 625 . 52 LYS CD C 29.00 . 1 626 . 52 LYS CE C 42.19 . 1 627 . 52 LYS N N 126.6 . 1 628 . 53 PRO HA H 4.61 . 1 629 . 53 PRO HB2 H 1.55 . 1 630 . 53 PRO HB3 H 1.55 . 1 631 . 53 PRO HG2 H 1.87 . 1 632 . 53 PRO HG3 H 1.87 . 1 633 . 53 PRO HD2 H 4.05 . 2 634 . 53 PRO HD3 H 3.6 . 2 635 . 53 PRO C C 177.2 . 1 636 . 53 PRO CA C 61.74 . 1 637 . 53 PRO CB C 33.43 . 1 638 . 53 PRO CG C 24.73 . 1 639 . 53 PRO CD C 50.09 . 1 640 . 54 GLU H H 9.52 . 1 641 . 54 GLU HA H 3.96 . 1 642 . 54 GLU HB2 H 2.31 . 2 643 . 54 GLU HB3 H 2.04 . 2 644 . 54 GLU HG2 H 2.47 . 2 645 . 54 GLU HG3 H 2.29 . 2 646 . 54 GLU C C 178.7 . 1 647 . 54 GLU CA C 59.91 . 1 648 . 54 GLU CB C 29.79 . 1 649 . 54 GLU CG C 36.41 . 1 650 . 54 GLU N N 125.3 . 1 651 . 55 ASN H H 9.14 . 1 652 . 55 ASN HA H 4.24 . 1 653 . 55 ASN HB2 H 2.83 . 1 654 . 55 ASN HB3 H 2.83 . 1 655 . 55 ASN HD21 H 7.9 . 2 656 . 55 ASN HD22 H 7.11 . 2 657 . 55 ASN C C 176.5 . 1 658 . 55 ASN CA C 56.54 . 1 659 . 55 ASN CB C 36.86 . 1 660 . 55 ASN N N 114.6 . 1 661 . 55 ASN ND2 N 113.7 . 1 662 . 56 GLU H H 7.19 . 1 663 . 56 GLU HA H 4.17 . 1 664 . 56 GLU HB2 H 2.2 . 2 665 . 56 GLU HB3 H 1.8 . 2 666 . 56 GLU HG2 H 2.47 . 2 667 . 56 GLU HG3 H 2.28 . 2 668 . 56 GLU C C 179.4 . 1 669 . 56 GLU CA C 58.7 . 1 670 . 56 GLU CB C 29.9 . 1 671 . 56 GLU CG C 36.76 . 1 672 . 56 GLU N N 117.00 . 1 673 . 57 LEU H H 6.98 . 1 674 . 57 LEU HA H 3.57 . 1 675 . 57 LEU HB2 H 1.72 . 2 676 . 57 LEU HB3 H 0.81 . 2 677 . 57 LEU HG H 0.55 . 1 678 . 57 LEU HD1 H 0.52 . 2 679 . 57 LEU HD2 H -0.11 . 2 680 . 57 LEU C C 177.1 . 1 681 . 57 LEU CA C 56.9 . 1 682 . 57 LEU CB C 40.29 . 1 683 . 57 LEU CG C 26.04 . 1 684 . 57 LEU CD1 C 23.48 . 2 685 . 57 LEU CD2 C 22.66 . 2 686 . 57 LEU N N 119.6 . 1 687 . 58 ARG H H 7.9 . 1 688 . 58 ARG HA H 4.07 . 1 689 . 58 ARG HB2 H 2.04 . 2 690 . 58 ARG HB3 H 1.82 . 2 691 . 58 ARG HG2 H 1.85 . 1 692 . 58 ARG HG3 H 1.85 . 1 693 . 58 ARG HD2 H 3.23 . 1 694 . 58 ARG HD3 H 3.23 . 1 695 . 58 ARG HE H 7.12 . 1 696 . 58 ARG C C 178.3 . 1 697 . 58 ARG CA C 59.9 . 1 698 . 58 ARG CB C 30.01 . 1 699 . 58 ARG CG C 27.79 . 1 700 . 58 ARG CD C 43.35 . 1 701 . 58 ARG N N 116.1 . 1 702 . 58 ARG NE N 83.03 . 1 703 . 59 ASP H H 8.22 . 1 704 . 59 ASP HA H 4.3 . 1 705 . 59 ASP HB2 H 2.79 . 2 706 . 59 ASP HB3 H 2.7 . 2 707 . 59 ASP C C 178.5 . 1 708 . 59 ASP CA C 57.03 . 1 709 . 59 ASP CB C 39.58 . 1 710 . 59 ASP N N 117.00 . 1 711 . 60 TYR H H 7.64 . 1 712 . 60 TYR HA H 4.27 . 1 713 . 60 TYR HB2 H 3.13 . 2 714 . 60 TYR HB3 H 2.59 . 2 715 . 60 TYR HD1 H 6.8 . 1 716 . 60 TYR HD2 H 6.8 . 1 717 . 60 TYR HE1 H 6.61 . 1 718 . 60 TYR HE2 H 6.61 . 1 719 . 60 TYR C C 177.5 . 1 720 . 60 TYR CA C 61.57 . 1 721 . 60 TYR CB C 38.11 . 1 722 . 60 TYR CD1 C 132.19 . 1 723 . 60 TYR CD2 C 132.19 . 1 724 . 60 TYR CE1 C 118.35 . 1 725 . 60 TYR CE2 C 118.35 . 1 726 . 60 TYR N N 120.9 . 1 727 . 61 PHE H H 8.88 . 1 728 . 61 PHE HA H 4.35 . 1 729 . 61 PHE HB2 H 3.33 . 1 730 . 61 PHE HB3 H 3.33 . 1 731 . 61 PHE HD1 H 6.95 . 1 732 . 61 PHE HD2 H 6.95 . 1 733 . 61 PHE HE1 H 6.65 . 1 734 . 61 PHE HE2 H 6.65 . 1 735 . 61 PHE HZ H 6.37 . 1 736 . 61 PHE C C 180.7 . 1 737 . 61 PHE CA C 57.86 . 1 738 . 61 PHE CB C 36.48 . 1 739 . 61 PHE CD1 C 129.1 . 1 740 . 61 PHE CD2 C 129.1 . 1 741 . 61 PHE CE1 C 130.5 . 1 742 . 61 PHE CE2 C 130.5 . 1 743 . 61 PHE CZ C 128.2 . 1 744 . 61 PHE N N 115.9 . 1 745 . 62 GLU H H 8.62 . 1 746 . 62 GLU HA H 3.49 . 1 747 . 62 GLU HB2 H 2.16 . 2 748 . 62 GLU HB3 H 1.9 . 2 749 . 62 GLU HG2 H 2.18 . 2 750 . 62 GLU HG3 H 1.81 . 2 751 . 62 GLU C C 178.5 . 1 752 . 62 GLU CA C 59.99 . 1 753 . 62 GLU CB C 29.05 . 1 754 . 62 GLU CG C 36.05 . 1 755 . 62 GLU N N 124.8 . 1 756 . 63 GLN H H 7.86 . 1 757 . 63 GLN HA H 3.97 . 1 758 . 63 GLN HB2 H 2.14 . 2 759 . 63 GLN HB3 H 1.96 . 2 760 . 63 GLN HG2 H 2.47 . 2 761 . 63 GLN HG3 H 2.25 . 2 762 . 63 GLN HE21 H 7.47 . 1 763 . 63 GLN HE22 H 6.94 . 1 764 . 63 GLN C C 178.3 . 1 765 . 63 GLN CA C 58.91 . 1 766 . 63 GLN CB C 28.56 . 1 767 . 63 GLN CG C 33.29 . 1 768 . 63 GLN N N 118.9 . 1 769 . 63 GLN NE2 N 110.3 . 1 770 . 64 ILE H H 7.66 . 1 771 . 64 ILE HA H 4.55 . 1 772 . 64 ILE HB H 1.89 . 1 773 . 64 ILE HG12 H 1.33 . 2 774 . 64 ILE HG13 H 0.69 . 2 775 . 64 ILE HG2 H 0.74 . 1 776 . 64 ILE HD1 H 0.9 . 1 777 . 64 ILE C C 177.5 . 1 778 . 64 ILE CA C 62.06 . 1 779 . 64 ILE CB C 39.21 . 1 780 . 64 ILE CG1 C 26.49 . 1 781 . 64 ILE CG2 C 17.83 . 1 782 . 64 ILE CD1 C 15.00 . 1 783 . 64 ILE N N 106.3 . 1 784 . 65 THR H H 8.51 . 1 785 . 65 THR HA H 4.88 . 1 786 . 65 THR HB H 4.17 . 1 787 . 65 THR HG2 H 1.25 . 1 788 . 65 THR C C 175.4 . 1 789 . 65 THR CA C 61.08 . 1 790 . 65 THR CB C 72.02 . 1 791 . 65 THR CG2 C 22.83 . 1 792 . 65 THR N N 109.7 . 1 793 . 66 GLY H H 7.85 . 1 794 . 66 GLY HA2 H 4.35 . 2 795 . 66 GLY HA3 H 3.83 . 2 796 . 66 GLY C C 173.2 . 1 797 . 66 GLY CA C 45.42 . 1 798 . 66 GLY N N 110.1 . 1 799 . 67 GLY H H 7.51 . 1 800 . 67 GLY HA2 H 4.55 . 2 801 . 67 GLY HA3 H 3.48 . 2 802 . 67 GLY C C 170.8 . 1 803 . 67 GLY CA C 44.12 . 1 804 . 67 GLY N N 106.00 . 1 805 . 68 ARG H H 8.35 . 1 806 . 68 ARG HA H 4.49 . 1 807 . 68 ARG HB2 H 1.75 . 1 808 . 68 ARG HB3 H 1.75 . 1 809 . 68 ARG HG2 H 1.43 . 1 810 . 68 ARG HG3 H 1.43 . 1 811 . 68 ARG HD2 H 3.35 . 2 812 . 68 ARG HD3 H 3.04 . 2 813 . 68 ARG HE H 7.44 . 1 814 . 68 ARG C C 176.1 . 1 815 . 68 ARG CA C 56.53 . 1 816 . 68 ARG CB C 33.84 . 1 817 . 68 ARG CG C 27.55 . 1 818 . 68 ARG CD C 42.89 . 1 819 . 68 ARG N N 114.3 . 1 820 . 68 ARG NE N 81.48 . 1 821 . 69 THR H H 7.2 . 1 822 . 69 THR HA H 4.35 . 1 823 . 69 THR HB H 4.24 . 1 824 . 69 THR HG2 H 1.23 . 1 825 . 69 THR C C 174.7 . 1 826 . 69 THR CA C 60.09 . 1 827 . 69 THR CB C 69.95 . 1 828 . 69 THR CG2 C 21.69 . 1 829 . 69 THR N N 106.1 . 1 830 . 70 VAL H H 7.95 . 1 831 . 70 VAL HA H 4.05 . 1 832 . 70 VAL HB H 2.41 . 1 833 . 70 VAL HG1 H 1.05 . 2 834 . 70 VAL HG2 H 0.95 . 2 835 . 70 VAL CA C 59.3 . 1 836 . 70 VAL CB C 31.01 . 1 837 . 70 VAL CG1 C 18.08 . 2 838 . 70 VAL CG2 C 23.55 . 2 839 . 70 VAL N N 111.1 . 1 840 . 71 PRO HA H 5.36 . 1 841 . 71 PRO HB2 H 2.55 . 2 842 . 71 PRO HB3 H 1.95 . 2 843 . 71 PRO HG2 H 2.06 . 2 844 . 71 PRO HG3 H 1.98 . 2 845 . 71 PRO HD2 H 3.46 . 2 846 . 71 PRO HD3 H 3.41 . 2 847 . 71 PRO C C 176.3 . 1 848 . 71 PRO CA C 61.04 . 1 849 . 71 PRO CB C 35.04 . 1 850 . 71 PRO CG C 25.32 . 1 851 . 71 PRO CD C 49.87 . 1 852 . 72 ARG H H 7.88 . 1 853 . 72 ARG HA H 4.78 . 1 854 . 72 ARG HB2 H 1.42 . 2 855 . 72 ARG HB3 H 1.29 . 2 856 . 72 ARG HG2 H 1.46 . 1 857 . 72 ARG HG3 H 1.46 . 1 858 . 72 ARG HD2 H 3.14 . 1 859 . 72 ARG HD3 H 3.14 . 1 860 . 72 ARG HE H 6.44 . 1 861 . 72 ARG C C 175.3 . 1 862 . 72 ARG CA C 54.52 . 1 863 . 72 ARG CB C 34.69 . 1 864 . 72 ARG CG C 22.71 . 1 865 . 72 ARG CD C 44.13 . 1 866 . 72 ARG N N 117.9 . 1 867 . 72 ARG NE N 85.02 . 1 868 . 73 ILE H H 8.48 . 1 869 . 73 ILE HA H 4.56 . 1 870 . 73 ILE HB H 1.32 . 1 871 . 73 ILE HG12 H 1.49 . 2 872 . 73 ILE HG13 H 0.84 . 2 873 . 73 ILE HG2 H 0.67 . 1 874 . 73 ILE HD1 H 0.72 . 1 875 . 73 ILE C C 173.6 . 1 876 . 73 ILE CA C 61.79 . 1 877 . 73 ILE CB C 39.34 . 1 878 . 73 ILE CG1 C 28.29 . 1 879 . 73 ILE CG2 C 19.32 . 1 880 . 73 ILE CD1 C 16.09 . 1 881 . 73 ILE N N 123.00 . 1 882 . 74 PHE H H 9.59 . 1 883 . 74 PHE HA H 5.05 . 1 884 . 74 PHE HB2 H 3.21 . 2 885 . 74 PHE HB3 H 3.13 . 2 886 . 74 PHE HD1 H 7.08 . 1 887 . 74 PHE HD2 H 7.08 . 1 888 . 74 PHE HE1 H 7.14 . 1 889 . 74 PHE HE2 H 7.14 . 1 890 . 74 PHE HZ H 6.87 . 1 891 . 74 PHE C C 174.9 . 1 892 . 74 PHE CA C 56.55 . 1 893 . 74 PHE CB C 41.27 . 1 894 . 74 PHE CD1 C 132.2 . 1 895 . 74 PHE CD2 C 132.2 . 1 896 . 74 PHE CE1 C 130.5 . 1 897 . 74 PHE CE2 C 130.5 . 1 898 . 74 PHE CZ C 127.9 . 1 899 . 74 PHE N N 126.5 . 1 900 . 75 PHE H H 8.65 . 1 901 . 75 PHE HA H 5.09 . 1 902 . 75 PHE HB2 H 3.22 . 2 903 . 75 PHE HB3 H 3.06 . 2 904 . 75 PHE HD1 H 7.23 . 1 905 . 75 PHE HD2 H 7.23 . 1 906 . 75 PHE HE1 H 6.92 . 1 907 . 75 PHE HE2 H 6.92 . 1 908 . 75 PHE HZ H 6.83 . 1 909 . 75 PHE C C 175.9 . 1 910 . 75 PHE CA C 52.49 . 1 911 . 75 PHE CB C 36.46 . 1 912 . 75 PHE CD1 C 129.9 . 1 913 . 75 PHE CD2 C 129.9 . 1 914 . 75 PHE CE1 C 129.9 . 1 915 . 75 PHE CE2 C 129.9 . 1 916 . 75 PHE CZ C 127.7 . 1 917 . 75 PHE N N 122.5 . 1 918 . 76 GLY H H 9.07 . 1 919 . 76 GLY HA2 H 4.95 . 2 920 . 76 GLY HA3 H 4.29 . 2 921 . 76 GLY C C 175.5 . 1 922 . 76 GLY CA C 46.42 . 1 923 . 76 GLY N N 116.1 . 1 924 . 77 LYS H H 9.09 . 1 925 . 77 LYS HA H 4.47 . 1 926 . 77 LYS HB2 H 2.16 . 2 927 . 77 LYS HB3 H 1.71 . 2 928 . 77 LYS HG2 H 1.33 . 2 929 . 77 LYS HG3 H 1.04 . 2 930 . 77 LYS HD2 H 1.6 . 1 931 . 77 LYS HD3 H 1.6 . 1 932 . 77 LYS HE2 H 2.81 . 1 933 . 77 LYS HE3 H 2.81 . 1 934 . 77 LYS C C 175.8 . 1 935 . 77 LYS CA C 55.71 . 1 936 . 77 LYS CB C 31.2 . 1 937 . 77 LYS CG C 25.67 . 1 938 . 77 LYS CD C 29.00 . 1 939 . 77 LYS CE C 41.95 . 1 940 . 77 LYS N N 123.4 . 1 941 . 78 THR H H 7.89 . 1 942 . 78 THR HA H 4.38 . 1 943 . 78 THR HB H 4.32 . 1 944 . 78 THR HG2 H 1.17 . 1 945 . 78 THR C C 173.4 . 1 946 . 78 THR CA C 61.8 . 1 947 . 78 THR CB C 70.04 . 1 948 . 78 THR CG2 C 21.5 . 1 949 . 78 THR N N 114.9 . 1 950 . 79 SER H H 8.92 . 1 951 . 79 SER HA H 3.87 . 1 952 . 79 SER HB2 H 3.64 . 2 953 . 79 SER HB3 H 3.21 . 2 954 . 79 SER C C 175.4 . 1 955 . 79 SER CA C 57.35 . 1 956 . 79 SER CB C 62.52 . 1 957 . 79 SER N N 120.00 . 1 958 . 80 ILE H H 8.04 . 1 959 . 80 ILE HA H 4.15 . 1 960 . 80 ILE HB H 1.42 . 1 961 . 80 ILE HG12 H 0.17 . 2 962 . 80 ILE HG13 H 0.02 . 2 963 . 80 ILE HG2 H 0.27 . 1 964 . 80 ILE HD1 H 0.16 . 1 965 . 80 ILE C C 174.8 . 1 966 . 80 ILE CA C 59.03 . 1 967 . 80 ILE CB C 37.19 . 1 968 . 80 ILE CG1 C 25.82 . 1 969 . 80 ILE CG2 C 17.48 . 1 970 . 80 ILE CD1 C 12.27 . 1 971 . 80 ILE N N 123.00 . 1 972 . 81 GLY H H 7.34 . 1 973 . 81 GLY HA2 H 4.54 . 2 974 . 81 GLY HA3 H 3.15 . 2 975 . 81 GLY C C 172.7 . 1 976 . 81 GLY CA C 43.68 . 1 977 . 81 GLY N N 106.7 . 1 978 . 82 GLY H H 9.33 . 1 979 . 82 GLY HA2 H 4.72 . 2 980 . 82 GLY HA3 H 3.69 . 2 981 . 82 GLY C C 174.8 . 1 982 . 82 GLY CA C 43.64 . 1 983 . 82 GLY N N 110.8 . 1 984 . 83 TYR H H 8.81 . 1 985 . 83 TYR HA H 3.99 . 1 986 . 83 TYR HB2 H 3.12 . 2 987 . 83 TYR HB3 H 2.97 . 2 988 . 83 TYR HD1 H 7.00 . 1 989 . 83 TYR HD2 H 7.00 . 1 990 . 83 TYR HE1 H 6.8 . 1 991 . 83 TYR HE2 H 6.8 . 1 992 . 83 TYR C C 176.4 . 1 993 . 83 TYR CA C 61.22 . 1 994 . 83 TYR CB C 37.9 . 1 995 . 83 TYR CD1 C 133.00 . 1 996 . 83 TYR CD2 C 133.00 . 1 997 . 83 TYR CE1 C 118.3 . 1 998 . 83 TYR CE2 C 118.3 . 1 999 . 83 TYR N N 120.2 . 1 1000 . 84 SER H H 8.78 . 1 1001 . 84 SER HA H 3.6 . 1 1002 . 84 SER HB2 H 3.79 . 1 1003 . 84 SER HB3 H 3.79 . 1 1004 . 84 SER C C 176.3 . 1 1005 . 84 SER CA C 61.32 . 1 1006 . 84 SER CB C 61.32 . 1 1007 . 84 SER N N 111.5 . 1 1008 . 85 ASP H H 6.92 . 1 1009 . 85 ASP HA H 4.25 . 1 1010 . 85 ASP HB2 H 2.57 . 1 1011 . 85 ASP HB3 H 2.57 . 1 1012 . 85 ASP C C 177.8 . 1 1013 . 85 ASP CA C 56.79 . 1 1014 . 85 ASP CB C 41.72 . 1 1015 . 85 ASP N N 119.00 . 1 1016 . 86 LEU H H 7.73 . 1 1017 . 86 LEU HA H 3.84 . 1 1018 . 86 LEU HB2 H 1.92 . 2 1019 . 86 LEU HB3 H 1.27 . 2 1020 . 86 LEU HG H 1.06 . 1 1021 . 86 LEU HD1 H 1.05 . 2 1022 . 86 LEU HD2 H 0.94 . 2 1023 . 86 LEU C C 177.7 . 1 1024 . 86 LEU CA C 57.02 . 1 1025 . 86 LEU CB C 41.84 . 1 1026 . 86 LEU CG C 27.23 . 1 1027 . 86 LEU CD1 C 23.74 . 2 1028 . 86 LEU CD2 C 23.7 . 2 1029 . 86 LEU N N 119.3 . 1 1030 . 87 LEU H H 8.48 . 1 1031 . 87 LEU HA H 3.79 . 1 1032 . 87 LEU HB2 H 1.43 . 2 1033 . 87 LEU HB3 H 0.97 . 2 1034 . 87 LEU HG H 1.36 . 1 1035 . 87 LEU HD1 H 0.78 . 2 1036 . 87 LEU HD2 H 0.75 . 2 1037 . 87 LEU C C 178.3 . 1 1038 . 87 LEU CA C 57.15 . 1 1039 . 87 LEU CB C 41.49 . 1 1040 . 87 LEU CG C 26.28 . 1 1041 . 87 LEU CD1 C 24.48 . 2 1042 . 87 LEU CD2 C 23.54 . 2 1043 . 87 LEU N N 118.00 . 1 1044 . 88 GLU H H 7.47 . 1 1045 . 88 GLU HA H 3.99 . 1 1046 . 88 GLU HB2 H 2.08 . 1 1047 . 88 GLU HB3 H 2.08 . 1 1048 . 88 GLU HG2 H 2.33 . 2 1049 . 88 GLU HG3 H 2.26 . 2 1050 . 88 GLU C C 178.9 . 1 1051 . 88 GLU CA C 59.31 . 1 1052 . 88 GLU CB C 29.28 . 1 1053 . 88 GLU CG C 35.67 . 1 1054 . 88 GLU N N 115.9 . 1 1055 . 89 ILE H H 7.23 . 1 1056 . 89 ILE HA H 3.86 . 1 1057 . 89 ILE HB H 1.86 . 1 1058 . 89 ILE HG12 H 1.9 . 2 1059 . 89 ILE HG13 H 1.06 . 2 1060 . 89 ILE HG2 H 0.92 . 1 1061 . 89 ILE HD1 H 0.82 . 1 1062 . 89 ILE C C 178.7 . 1 1063 . 89 ILE CA C 64.67 . 1 1064 . 89 ILE CB C 38.38 . 1 1065 . 89 ILE CG1 C 27.61 . 1 1066 . 89 ILE CG2 C 18.9 . 1 1067 . 89 ILE CD1 C 13.79 . 1 1068 . 89 ILE N N 115.00 . 1 1069 . 90 ASP H H 8.39 . 1 1070 . 90 ASP HA H 4.67 . 1 1071 . 90 ASP HB2 H 2.75 . 2 1072 . 90 ASP HB3 H 2.59 . 2 1073 . 90 ASP C C 180.1 . 1 1074 . 90 ASP CA C 57.27 . 1 1075 . 90 ASP CB C 42.69 . 1 1076 . 90 ASP N N 120.00 . 1 1077 . 91 ASN H H 9.16 . 1 1078 . 91 ASN HA H 4.56 . 1 1079 . 91 ASN HB2 H 2.97 . 2 1080 . 91 ASN HB3 H 2.83 . 2 1081 . 91 ASN HD21 H 7.64 . 2 1082 . 91 ASN HD22 H 6.7 . 2 1083 . 91 ASN C C 177.00 . 1 1084 . 91 ASN CA C 54.86 . 1 1085 . 91 ASN CB C 37.97 . 1 1086 . 91 ASN N N 117.5 . 1 1087 . 91 ASN ND2 N 109.4 . 1 1088 . 92 MET H H 7.52 . 1 1089 . 92 MET HA H 4.56 . 1 1090 . 92 MET HB2 H 2.76 . 2 1091 . 92 MET HB3 H 2.22 . 2 1092 . 92 MET HG2 H 2.74 . 1 1093 . 92 MET HG3 H 2.74 . 1 1094 . 92 MET C C 175.4 . 1 1095 . 92 MET CA C 55.00 . 1 1096 . 92 MET CB C 32.53 . 1 1097 . 92 MET CG C 31.5 . 1 1098 . 92 MET N N 115.5 . 1 1099 . 93 ASP H H 8.46 . 1 1100 . 93 ASP HA H 4.78 . 1 1101 . 93 ASP HB2 H 3.16 . 2 1102 . 93 ASP HB3 H 2.59 . 2 1103 . 93 ASP C C 175.8 . 1 1104 . 93 ASP CA C 54.99 . 1 1105 . 93 ASP CB C 39.33 . 1 1106 . 93 ASP N N 117.8 . 1 1107 . 94 ALA H H 7.63 . 1 1108 . 94 ALA HA H 4.72 . 1 1109 . 94 ALA HB H 1.48 . 1 1110 . 94 ALA C C 177.9 . 1 1111 . 94 ALA CA C 51.74 . 1 1112 . 94 ALA CB C 20.91 . 1 1113 . 94 ALA N N 116.3 . 1 1114 . 95 LEU H H 8.00 . 1 1115 . 95 LEU HA H 3.87 . 1 1116 . 95 LEU HB2 H 1.95 . 2 1117 . 95 LEU HB3 H 1.35 . 2 1118 . 95 LEU HG H 1.26 . 1 1119 . 95 LEU HD1 H 0.97 . 2 1120 . 95 LEU HD2 H 0.94 . 2 1121 . 95 LEU C C 177.4 . 1 1122 . 95 LEU CA C 57.64 . 1 1123 . 95 LEU CB C 41.57 . 1 1124 . 95 LEU CG C 27.01 . 1 1125 . 95 LEU CD1 C 27.27 . 2 1126 . 95 LEU CD2 C 23.75 . 2 1127 . 95 LEU N N 119.8 . 1 1128 . 96 GLY H H 8.76 . 1 1129 . 96 GLY HA2 H 3.96 . 2 1130 . 96 GLY HA3 H 3.3 . 2 1131 . 96 GLY C C 176.4 . 1 1132 . 96 GLY CA C 47.69 . 1 1133 . 96 GLY N N 105.9 . 1 1134 . 97 ASP H H 8.15 . 1 1135 . 97 ASP HA H 4.34 . 1 1136 . 97 ASP HB2 H 2.67 . 1 1137 . 97 ASP HB3 H 2.67 . 1 1138 . 97 ASP C C 179.2 . 1 1139 . 97 ASP CA C 56.92 . 1 1140 . 97 ASP CB C 40.15 . 1 1141 . 97 ASP N N 120.8 . 1 1142 . 98 ILE H H 7.86 . 1 1143 . 98 ILE HA H 3.74 . 1 1144 . 98 ILE HB H 1.78 . 1 1145 . 98 ILE HG12 H 1.78 . 2 1146 . 98 ILE HG13 H 1.14 . 2 1147 . 98 ILE HG2 H 0.93 . 1 1148 . 98 ILE HD1 H 0.9 . 1 1149 . 98 ILE C C 179.1 . 1 1150 . 98 ILE CA C 64.56 . 1 1151 . 98 ILE CB C 38.26 . 1 1152 . 98 ILE CG1 C 28.69 . 1 1153 . 98 ILE CG2 C 17.46 . 1 1154 . 98 ILE CD1 C 13.78 . 1 1155 . 98 ILE N N 120.8 . 1 1156 . 99 LEU H H 8.35 . 1 1157 . 99 LEU HA H 3.64 . 1 1158 . 99 LEU HB2 H 1.43 . 2 1159 . 99 LEU HB3 H 0.64 . 2 1160 . 99 LEU HG H 1.32 . 1 1161 . 99 LEU HD1 H -0.3 . 2 1162 . 99 LEU HD2 H -0.11 . 2 1163 . 99 LEU C C 179.1 . 1 1164 . 99 LEU CA C 56.9 . 1 1165 . 99 LEU CB C 39.43 . 1 1166 . 99 LEU CG C 25.29 . 1 1167 . 99 LEU CD1 C 24.79 . 2 1168 . 99 LEU CD2 C 21.21 . 2 1169 . 99 LEU N N 118.4 . 1 1170 . 100 SER H H 8.29 . 1 1171 . 100 SER HA H 4.14 . 1 1172 . 100 SER HB2 H 3.98 . 1 1173 . 100 SER HB3 H 3.98 . 1 1174 . 100 SER C C 178.8 . 1 1175 . 100 SER CA C 61.1 . 1 1176 . 100 SER CB C 62.58 . 1 1177 . 100 SER N N 112.2 . 1 1178 . 101 SER H H 7.99 . 1 1179 . 101 SER HA H 4.3 . 1 1180 . 101 SER HB2 H 4.07 . 1 1181 . 101 SER HB3 H 4.07 . 1 1182 . 101 SER C C 176.00 . 1 1183 . 101 SER CA C 61.21 . 1 1184 . 101 SER CB C 62.68 . 1 1185 . 101 SER N N 116.7 . 1 1186 . 102 ILE H H 7.35 . 1 1187 . 102 ILE HA H 4.6 . 1 1188 . 102 ILE HB H 2.26 . 1 1189 . 102 ILE HG12 H 1.42 . 2 1190 . 102 ILE HG13 H 1.37 . 2 1191 . 102 ILE HG2 H 0.96 . 1 1192 . 102 ILE HD1 H 0.56 . 1 1193 . 102 ILE C C 176.9 . 1 1194 . 102 ILE CA C 61.54 . 1 1195 . 102 ILE CB C 37.68 . 1 1196 . 102 ILE CG1 C 26.74 . 1 1197 . 102 ILE CG2 C 17.36 . 1 1198 . 102 ILE CD1 C 14.06 . 1 1199 . 102 ILE N N 112.1 . 1 1200 . 103 GLY H H 7.75 . 1 1201 . 103 GLY HA2 H 4.02 . 1 1202 . 103 GLY HA3 H 4.02 . 1 1203 . 103 GLY C C 176.6 . 1 1204 . 103 GLY CA C 47.11 . 1 1205 . 103 GLY N N 107.00 . 1 1206 . 104 VAL H H 6.92 . 1 1207 . 104 VAL HA H 4.36 . 1 1208 . 104 VAL HB H 2.8 . 1 1209 . 104 VAL HG1 H 0.86 . 2 1210 . 104 VAL HG2 H 0.88 . 2 1211 . 104 VAL C C 175.3 . 1 1212 . 104 VAL CA C 61.00 . 1 1213 . 104 VAL CB C 31.88 . 1 1214 . 104 VAL CG1 C 20.44 . 2 1215 . 104 VAL CG2 C 18.89 . 2 1216 . 104 VAL N N 104.6 . 1 1217 . 105 LEU H H 7.68 . 1 1218 . 105 LEU HA H 4.76 . 1 1219 . 105 LEU HB2 H 1.73 . 2 1220 . 105 LEU HB3 H 1.39 . 2 1221 . 105 LEU HG H 1.1 . 1 1222 . 105 LEU HD1 H 0.81 . 2 1223 . 105 LEU HD2 H 0.24 . 2 1224 . 105 LEU C C 177.6 . 1 1225 . 105 LEU CA C 53.52 . 1 1226 . 105 LEU CB C 41.86 . 1 1227 . 105 LEU CG C 26.28 . 1 1228 . 105 LEU CD1 C 25.79 . 2 1229 . 105 LEU CD2 C 22.34 . 2 1230 . 105 LEU N N 118.5 . 1 1231 . 106 ARG H H 8.55 . 1 1232 . 106 ARG HA H 4.22 . 1 1233 . 106 ARG HB2 H 1.68 . 2 1234 . 106 ARG HB3 H 1.49 . 2 1235 . 106 ARG HG2 H 1.48 . 1 1236 . 106 ARG HG3 H 1.48 . 1 1237 . 106 ARG HD2 H 3.14 . 1 1238 . 106 ARG HD3 H 3.14 . 1 1239 . 106 ARG C C 176.4 . 1 1240 . 106 ARG CA C 56.37 . 1 1241 . 106 ARG CB C 30.69 . 1 1242 . 106 ARG CG C 27.34 . 1 1243 . 106 ARG CD C 43.88 . 1 1244 . 106 ARG N N 120.4 . 1 1245 . 107 THR H H 8.35 . 1 1246 . 107 THR HA H 4.37 . 1 1247 . 107 THR HB H 4.31 . 1 1248 . 107 THR HG2 H 1.17 . 1 1249 . 107 THR C C 173.6 . 1 1250 . 107 THR CA C 61.22 . 1 1251 . 107 THR CB C 69.35 . 1 1252 . 107 THR CG2 C 21.4 . 1 1253 . 107 THR N N 114.4 . 1 1254 . 108 CYS H H 7.99 . 1 1255 . 108 CYS HA H 4.36 . 1 1256 . 108 CYS HB2 H 2.97 . 2 1257 . 108 CYS HB3 H 2.92 . 2 1258 . 108 CYS CA C 59.05 . 1 1259 . 108 CYS CB C 28.6 . 1 1260 . 108 CYS N N 123.5 . 1 stop_ save_