data_50074 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N backbone assignments of the pheromone binding protein 2 from the Ostrinia furnacalis (OfurPBP2) ; _BMRB_accession_number 50074 _BMRB_flat_file_name bmr50074.str _Entry_type original _Submission_date 2019-10-11 _Accession_date 2019-10-11 _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 Dahal Salik . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 671 "13C chemical shifts" 527 "15N chemical shifts" 137 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-04-30 update BMRB 'update entry citation' 2020-01-22 original author 'original release' stop_ _Original_release_date 2019-10-14 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C, and 15N resonance assignment and secondary structure of the pheromone-binding protein2 from the agricultural pest Ostrinia furnacalis (OfurPBP2) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31975054 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dahal Salik R. . 2 Lewellen Jacob L. . 3 Chaudhary Bharat P. . 4 Mohanty Smita . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 14 _Journal_issue 1 _Journal_ISSN 1874-270X _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 115 _Page_last 118 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly_1 _Saveframe_category molecular_system _Mol_system_name 'pheromone binding protein 2 [Ostrinia furnacalis]' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'pheromone binding protein 2 [Ostrinia furnacalis]' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common OfurPBP2 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 144 _Mol_residue_sequence ; SQAVMKDMTKNFIKAYEVCA KEYNLPEAAGAEVMNFWKEG YVLTSREAGCAILCLSSKLN LLDPEGTLHRGNTVEFAKQH GSDDAMAHQLVDIVHACEKS VPPNEDNCLMALGISMCFKT EIHKLNWAPDHELLLEEMMA EMKQ ; loop_ _Residue_seq_code _Residue_label 1 SER 2 GLN 3 ALA 4 VAL 5 MET 6 LYS 7 ASP 8 MET 9 THR 10 LYS 11 ASN 12 PHE 13 ILE 14 LYS 15 ALA 16 TYR 17 GLU 18 VAL 19 CYS 20 ALA 21 LYS 22 GLU 23 TYR 24 ASN 25 LEU 26 PRO 27 GLU 28 ALA 29 ALA 30 GLY 31 ALA 32 GLU 33 VAL 34 MET 35 ASN 36 PHE 37 TRP 38 LYS 39 GLU 40 GLY 41 TYR 42 VAL 43 LEU 44 THR 45 SER 46 ARG 47 GLU 48 ALA 49 GLY 50 CYS 51 ALA 52 ILE 53 LEU 54 CYS 55 LEU 56 SER 57 SER 58 LYS 59 LEU 60 ASN 61 LEU 62 LEU 63 ASP 64 PRO 65 GLU 66 GLY 67 THR 68 LEU 69 HIS 70 ARG 71 GLY 72 ASN 73 THR 74 VAL 75 GLU 76 PHE 77 ALA 78 LYS 79 GLN 80 HIS 81 GLY 82 SER 83 ASP 84 ASP 85 ALA 86 MET 87 ALA 88 HIS 89 GLN 90 LEU 91 VAL 92 ASP 93 ILE 94 VAL 95 HIS 96 ALA 97 CYS 98 GLU 99 LYS 100 SER 101 VAL 102 PRO 103 PRO 104 ASN 105 GLU 106 ASP 107 ASN 108 CYS 109 LEU 110 MET 111 ALA 112 LEU 113 GLY 114 ILE 115 SER 116 MET 117 CYS 118 PHE 119 LYS 120 THR 121 GLU 122 ILE 123 HIS 124 LYS 125 LEU 126 ASN 127 TRP 128 ALA 129 PRO 130 ASP 131 HIS 132 GLU 133 LEU 134 LEU 135 LEU 136 GLU 137 GLU 138 MET 139 MET 140 ALA 141 GLU 142 MET 143 LYS 144 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source_1 _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 'Asian corn borer' 93504 Eukaryota Metazoa Ostrinia furnacalis stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . . . . plasmid pET21a 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 $entity_1 400 uM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Zhengrong and Bax' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 . pH pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _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 water H 0 protons ppm 4.7 internal direct . . . 1 water H 1 nitrogen ppm 0 na indirect . . . 1 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_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HNCA' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'pheromone binding protein 2 [Ostrinia furnacalis]' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 GLN HA H 3.78 0 1 2 2 2 GLN HB2 H 2.193 0 1 3 2 2 GLN HB3 H 2.193 0 1 4 2 2 GLN C C 178.213 0.013 1 5 2 2 GLN CA C 58.109 0.084 1 6 2 2 GLN CB C 28.641 0.109 1 7 2 2 GLN CG C 33.819 0.044 1 8 3 3 ALA H H 7.921 0.194 1 9 3 3 ALA HA H 3.851 0.003 1 10 3 3 ALA HB H 1.262 0.007 1 11 3 3 ALA C C 179.845 0.089 1 12 3 3 ALA CA C 55.329 0.049 1 13 3 3 ALA CB C 18.014 0.359 1 14 3 3 ALA N N 122.319 0.045 1 15 4 4 VAL H H 7.16 0.01 1 16 4 4 VAL HA H 3.709 0.003 1 17 4 4 VAL HB H 1.571 0.003 1 18 4 4 VAL HG1 H 0.755 0.006 1 19 4 4 VAL HG2 H 0.679 0.007 1 20 4 4 VAL C C 177.401 0 1 21 4 4 VAL CA C 65.418 0.192 1 22 4 4 VAL CB C 32.031 0.077 1 23 4 4 VAL CG1 C 21.195 0.23 1 24 4 4 VAL CG2 C 20.818 0 1 25 4 4 VAL N N 118.922 0.055 1 26 5 5 MET H H 7.714 0.006 1 27 5 5 MET HA H 4.374 0.011 1 28 5 5 MET HB2 H 2.046 0.003 1 29 5 5 MET HB3 H 1.79 0.168 1 30 5 5 MET HG2 H 2.391 0 1 31 5 5 MET HG3 H 2.213 0.002 1 32 5 5 MET C C 180.745 0.001 1 33 5 5 MET CA C 56.371 0.244 1 34 5 5 MET CB C 29.92 0.052 1 35 5 5 MET CG C 31.733 0 1 36 5 5 MET N N 117.037 0.067 1 37 6 6 LYS H H 8.612 0.012 1 38 6 6 LYS HA H 4.622 0 1 39 6 6 LYS C C 179.723 0 1 40 6 6 LYS CA C 60.73 0.069 1 41 6 6 LYS CB C 30.961 0.026 1 42 6 6 LYS CG C 24.094 0 1 43 6 6 LYS CD C 28.428 0 1 44 6 6 LYS CE C 40.95 0 1 45 6 6 LYS N N 124.724 0.049 1 46 7 7 ASP H H 7.751 0.01 1 47 7 7 ASP HA H 4.39 0.006 1 48 7 7 ASP HB2 H 2.749 0.008 1 49 7 7 ASP HB3 H 2.699 0.002 1 50 7 7 ASP C C 180.001 0.011 1 51 7 7 ASP CA C 58.085 0.122 1 52 7 7 ASP CB C 40.008 0.113 1 53 7 7 ASP N N 121.444 0.075 1 54 8 8 MET H H 8.875 0.134 1 55 8 8 MET HA H 3.193 0.004 1 56 8 8 MET HB2 H 2.024 0.084 1 57 8 8 MET HB3 H 1.726 0.192 1 58 8 8 MET HG2 H 2.565 0.001 1 59 8 8 MET HG3 H 2.075 0.001 1 60 8 8 MET C C 178.145 0.039 1 61 8 8 MET CA C 60.314 0.148 1 62 8 8 MET CB C 34.299 0.094 1 63 8 8 MET CG C 32.311 0 1 64 8 8 MET N N 119.403 0.066 1 65 9 9 THR H H 8.001 0.008 1 66 9 9 THR HA H 4.565 0.002 1 67 9 9 THR HB H 3.845 0.007 1 68 9 9 THR HG1 H 5.265 0 1 69 9 9 THR HG2 H 1.436 0.004 1 70 9 9 THR C C 174.953 0 1 71 9 9 THR CA C 68.471 0.088 1 72 9 9 THR CB C 68.35 0.083 1 73 9 9 THR CG2 C 21.133 0 1 74 9 9 THR N N 115.82 0.051 1 75 10 10 LYS H H 8.12 0.01 1 76 10 10 LYS HA H 3.84 0.016 1 77 10 10 LYS HB2 H 2.136 0.007 1 78 10 10 LYS HB3 H 2.136 0.007 1 79 10 10 LYS HG2 H 1.921 0.004 1 80 10 10 LYS HG3 H 1.921 0.004 1 81 10 10 LYS HE2 H 2.518 0.001 1 82 10 10 LYS HE3 H 2.518 0.001 1 83 10 10 LYS C C 175.879 0.308 1 84 10 10 LYS CA C 60.471 0.06 1 85 10 10 LYS CB C 31.642 0.959 1 86 10 10 LYS CG C 25.835 0 1 87 10 10 LYS CD C 29.649 0 1 88 10 10 LYS CE C 41.621 0 1 89 10 10 LYS N N 119.127 0.125 1 90 11 11 ASN H H 7.244 0.016 1 91 11 11 ASN HA H 4.571 0.004 1 92 11 11 ASN HB2 H 2.533 0.418 1 93 11 11 ASN HB3 H 2.395 0.523 1 94 11 11 ASN C C 176.394 0.344 1 95 11 11 ASN CA C 56.14 0.038 1 96 11 11 ASN CB C 39.803 0.035 1 97 11 11 ASN N N 114.423 0.131 1 98 12 12 PHE H H 8.752 0.008 1 99 12 12 PHE HA H 4.16 0.007 1 100 12 12 PHE HB2 H 3.41 0 1 101 12 12 PHE HB3 H 3.197 0 1 102 12 12 PHE CA C 59.986 1.453 1 103 12 12 PHE CB C 40.921 0.043 1 104 12 12 PHE N N 123.307 0.104 1 105 13 13 ILE H H 7.662 0.013 1 106 13 13 ILE HA H 4.136 0.005 1 107 13 13 ILE HB H 2.027 0.006 1 108 13 13 ILE HG12 H 1.559 0.009 2 109 13 13 ILE HG13 H 1.559 0.009 2 110 13 13 ILE HG2 H 0.996 0.008 1 111 13 13 ILE HD1 H 0.812 0.004 1 112 13 13 ILE CA C 61.988 0.022 1 113 13 13 ILE CB C 39.067 0.058 1 114 13 13 ILE CG1 C 28.008 0 1 115 13 13 ILE CG2 C 18.115 0 1 116 13 13 ILE CD1 C 14.144 0.055 1 117 13 13 ILE N N 109.389 1.7 1 118 14 14 LYS H H 7.249 0.01 1 119 14 14 LYS HA H 4.865 0 1 120 14 14 LYS HB2 H 1.601 0 1 121 14 14 LYS HB3 H 1.601 0 1 122 14 14 LYS HG2 H 1.248 0 1 123 14 14 LYS HG3 H 1.248 0 1 124 14 14 LYS HE2 H 2.695 0 1 125 14 14 LYS HE3 H 2.695 0 1 126 14 14 LYS CA C 59.861 0.009 1 127 14 14 LYS CB C 32.312 0.017 1 128 14 14 LYS CG C 25.172 0 1 129 14 14 LYS CD C 29.314 0 1 130 14 14 LYS CE C 42.125 0 1 131 14 14 LYS N N 121.863 0.048 1 132 15 15 ALA H H 7.105 0.008 1 133 15 15 ALA HA H 4.578 0.011 1 134 15 15 ALA HB H 1.273 0.005 1 135 15 15 ALA C C 176.736 0.019 1 136 15 15 ALA CA C 51.889 0.046 1 137 15 15 ALA CB C 17.517 0.116 1 138 15 15 ALA N N 118.137 0.074 1 139 16 16 TYR H H 8.153 0.115 1 140 16 16 TYR HA H 3.392 0.003 1 141 16 16 TYR HB2 H 3.133 0.004 1 142 16 16 TYR HB3 H 2.942 0.004 1 143 16 16 TYR C C 175.873 0.036 1 144 16 16 TYR CA C 65.177 0.078 1 145 16 16 TYR CB C 38.137 0.123 1 146 16 16 TYR N N 121.237 0.083 1 147 17 17 GLU H H 8.882 0.01 1 148 17 17 GLU HA H 3.753 0.004 1 149 17 17 GLU HB2 H 2.07 0.018 1 150 17 17 GLU HB3 H 1.993 0.001 1 151 17 17 GLU HG2 H 2.322 0.008 1 152 17 17 GLU HG3 H 2.251 0.01 1 153 17 17 GLU C C 179.079 0.009 1 154 17 17 GLU CA C 59.893 0.095 1 155 17 17 GLU CB C 28.888 0.043 1 156 17 17 GLU CG C 36.359 0.034 1 157 17 17 GLU N N 117.085 0.071 1 158 18 18 VAL H H 7.28 0.01 1 159 18 18 VAL HA H 3.677 0.006 1 160 18 18 VAL HB H 2.039 0.003 1 161 18 18 VAL HG1 H 0.953 0.006 2 162 18 18 VAL HG2 H 0.873 0.002 2 163 18 18 VAL C C 179.622 0 1 164 18 18 VAL CA C 65.994 0.105 1 165 18 18 VAL CB C 31.677 0.128 1 166 18 18 VAL CG1 C 21.415 0.189 1 167 18 18 VAL CG2 C 21.055 0 1 168 18 18 VAL N N 118.55 0.053 1 169 19 19 CYS H H 7.513 0.012 1 170 19 19 CYS HA H 4.222 0.003 1 171 19 19 CYS HB2 H 2.859 0.006 1 172 19 19 CYS HB3 H 2.315 0.003 1 173 19 19 CYS C C 175.973 0.008 1 174 19 19 CYS CA C 59.835 0.071 1 175 19 19 CYS CB C 41.433 0.078 1 176 19 19 CYS N N 119.218 0.068 1 177 20 20 ALA H H 8.984 0.017 1 178 20 20 ALA HA H 3.571 0.002 1 179 20 20 ALA HB H 1.126 0.001 1 180 20 20 ALA C C 180.092 0.01 1 181 20 20 ALA CA C 55.074 0.066 1 182 20 20 ALA CB C 17.45 0.02 1 183 20 20 ALA N N 122.541 0.066 1 184 21 21 LYS H H 7.323 0.008 1 185 21 21 LYS HA H 4.148 0.04 1 186 21 21 LYS HB2 H 1.843 0.002 1 187 21 21 LYS HG2 H 1.495 0 1 188 21 21 LYS HG3 H 1.44 0 1 189 21 21 LYS HD2 H 1.626 0.004 1 190 21 21 LYS HD3 H 1.52 0.007 1 191 21 21 LYS C C 179.13 0.013 1 192 21 21 LYS CA C 58.37 0.073 1 193 21 21 LYS CB C 32.266 0.166 1 194 21 21 LYS CG C 24.618 0 1 195 21 21 LYS CD C 28.92 0 1 196 21 21 LYS CE C 42.152 0 1 197 21 21 LYS N N 116.951 0 1 198 22 22 GLU H H 8.05 0.138 1 199 22 22 GLU HA H 3.785 0.002 1 200 22 22 GLU HB2 H 1.814 0.004 1 201 22 22 GLU HB3 H 1.706 0.001 1 202 22 22 GLU HG2 H 2.235 0.004 1 203 22 22 GLU HG3 H 2.034 0.002 1 204 22 22 GLU C C 178.101 0.03 1 205 22 22 GLU CA C 59.514 0.076 1 206 22 22 GLU CB C 30.31 0.029 1 207 22 22 GLU CG C 36.257 0.061 1 208 22 22 GLU N N 119.633 0.086 1 209 23 23 TYR H H 8.047 0.01 1 210 23 23 TYR HA H 4.343 0.003 1 211 23 23 TYR HB2 H 3.124 0.003 1 212 23 23 TYR HB3 H 2.495 0.006 1 213 23 23 TYR C C 174.433 0.007 1 214 23 23 TYR CA C 58.241 0.066 1 215 23 23 TYR CB C 37.793 0.111 1 216 23 23 TYR N N 113.47 0.075 1 217 24 24 ASN H H 7.445 0.008 1 218 24 24 ASN HA H 4.368 0.006 1 219 24 24 ASN HB2 H 3.009 0.005 1 220 24 24 ASN HB3 H 2.596 0.006 1 221 24 24 ASN C C 175.191 0.006 1 222 24 24 ASN CA C 54.021 0.268 1 223 24 24 ASN CB C 36.726 0.174 1 224 24 24 ASN N N 119.729 0.07 1 225 25 25 LEU H H 8.251 0.009 1 226 25 25 LEU HA H 4.44 0.004 1 227 25 25 LEU HB2 H 1.258 0 1 228 25 25 LEU HB3 H 1.258 0 1 229 25 25 LEU HG H 1.225 0.002 1 230 25 25 LEU HD1 H 0.752 0.004 2 231 25 25 LEU HD2 H 0.492 0.001 2 232 25 25 LEU CA C 52.84 0.056 1 233 25 25 LEU CB C 40.784 0 1 234 25 25 LEU N N 117.191 0.07 1 235 26 26 PRO HA H 4.654 0.004 1 236 26 26 PRO HB2 H 2.381 0.002 2 237 26 26 PRO HB3 H 2.174 0.017 2 238 26 26 PRO HG2 H 1.945 0 2 239 26 26 PRO HD2 H 3.82 0.316 2 240 26 26 PRO HD3 H 3.515 0.295 2 241 26 26 PRO C C 177.511 0.009 1 242 26 26 PRO CA C 62.01 0.268 1 243 26 26 PRO CB C 31.971 0.048 1 244 26 26 PRO CG C 26.799 0.074 1 245 26 26 PRO CD C 50.136 0.082 1 246 26 26 PRO N N 122.748 0 1 247 27 27 GLU H H 8.871 0.009 1 248 27 27 GLU HA H 4.114 0.005 1 249 27 27 GLU HB2 H 2 0.004 1 250 27 27 GLU HB3 H 2 0.004 1 251 27 27 GLU HG2 H 2.325 0 1 252 27 27 GLU HG3 H 2.288 0 1 253 27 27 GLU C C 179.036 0.016 1 254 27 27 GLU CA C 59.591 0.116 1 255 27 27 GLU CB C 29.265 0.062 1 256 27 27 GLU CG C 36.397 0.04 1 257 27 27 GLU N N 122.884 0.069 1 258 28 28 ALA H H 8.422 0.016 1 259 28 28 ALA HA H 4.051 0.005 1 260 28 28 ALA HB H 1.372 0 1 261 28 28 ALA C C 179.603 0.022 1 262 28 28 ALA CA C 54.639 0.154 1 263 28 28 ALA CB C 18.676 0.125 1 264 28 28 ALA N N 119.282 0.059 1 265 29 29 ALA H H 7.621 0.007 1 266 29 29 ALA HA H 4.06 0.002 1 267 29 29 ALA HB H 1.372 0 1 268 29 29 ALA C C 178.691 0.011 1 269 29 29 ALA CA C 55.072 0.078 1 270 29 29 ALA CB C 18.14 0.046 1 271 29 29 ALA N N 119.371 0.064 1 272 30 30 GLY H H 7.217 0.009 1 273 30 30 GLY HA2 H 3.341 0.004 2 274 30 30 GLY HA3 H 3.053 0.007 2 275 30 30 GLY C C 175.438 0.031 1 276 30 30 GLY CA C 47.456 0.074 1 277 30 30 GLY N N 106.145 0.069 1 278 31 31 ALA H H 7.364 0.014 1 279 31 31 ALA HA H 3.903 0.004 1 280 31 31 ALA HB H 1.322 0.005 1 281 31 31 ALA C C 179.864 0.028 1 282 31 31 ALA CA C 54.586 0.093 1 283 31 31 ALA CB C 17.743 0.136 1 284 31 31 ALA N N 122.609 0.085 1 285 32 32 GLU H H 7.439 0.012 1 286 32 32 GLU HA H 4.145 0.007 1 287 32 32 GLU HB2 H 2.285 0.003 1 288 32 32 GLU HB3 H 2.114 0.005 1 289 32 32 GLU HG2 H 2.621 0 1 290 32 32 GLU HG3 H 2.285 0.005 1 291 32 32 GLU C C 178.421 0.019 1 292 32 32 GLU CA C 60.371 0.116 1 293 32 32 GLU CB C 30.008 0.132 1 294 32 32 GLU CG C 37.207 0.056 1 295 32 32 GLU N N 117.326 0.115 1 296 33 33 VAL H H 7.569 0.009 1 297 33 33 VAL HA H 3.485 0.006 1 298 33 33 VAL HB H 1.952 0.015 1 299 33 33 VAL HG1 H 0.992 0.008 2 300 33 33 VAL HG2 H 0.763 0.009 2 301 33 33 VAL C C 177.206 1.005 1 302 33 33 VAL CA C 67.112 0.078 1 303 33 33 VAL CB C 31.42 0.153 1 304 33 33 VAL CG1 C 22.946 0 1 305 33 33 VAL CG2 C 20.961 0 1 306 33 33 VAL N N 115.91 0.123 1 307 34 34 MET H H 7.941 0.009 1 308 34 34 MET HA H 4.05 0.009 1 309 34 34 MET HB2 H 2.023 0 1 310 34 34 MET HB3 H 1.945 0.009 1 311 34 34 MET HG2 H 2.526 0.003 1 312 34 34 MET HG3 H 2.396 0.004 1 313 34 34 MET C C 176.732 0.009 1 314 34 34 MET CA C 57.797 0.064 1 315 34 34 MET CB C 31.757 0.228 1 316 34 34 MET CG C 33.053 0 1 317 34 34 MET N N 116.932 0.081 1 318 35 35 ASN H H 7.24 0.01 1 319 35 35 ASN HA H 4.672 0.002 1 320 35 35 ASN HB2 H 2.004 0.009 1 321 35 35 ASN HB3 H 2.199 0.004 1 322 35 35 ASN C C 174.707 0.051 1 323 35 35 ASN CA C 52.927 0.042 1 324 35 35 ASN CB C 38.8 0.095 1 325 35 35 ASN N N 116.049 0.049 1 326 36 36 PHE H H 7.388 0.012 1 327 36 36 PHE HA H 4.684 0.023 1 328 36 36 PHE HB2 H 2.214 0 1 329 36 36 PHE HB3 H 2.214 0 1 330 36 36 PHE CA C 63.504 0.091 1 331 36 36 PHE CB C 40.536 0.052 1 332 36 36 PHE N N 119.15 0.075 1 333 37 37 TRP H H 9.321 0.01 1 334 37 37 TRP HA H 4.788 0.013 1 335 37 37 TRP HB2 H 3.777 0.003 1 336 37 37 TRP HB3 H 3.122 0.002 1 337 37 37 TRP C C 175.274 0.018 1 338 37 37 TRP CA C 56.18 0.116 1 339 37 37 TRP CB C 29.148 0.105 1 340 37 37 TRP N N 112.901 0.085 1 341 38 38 LYS H H 7.672 0.008 1 342 38 38 LYS HA H 3.644 0.003 1 343 38 38 LYS HB2 H 1.417 0 1 344 38 38 LYS HB3 H 1.417 0 1 345 38 38 LYS C C 178.137 0.03 1 346 38 38 LYS CA C 57.817 0.062 1 347 38 38 LYS CB C 31.86 0.038 1 348 38 38 LYS CG C 24.63 0 1 349 38 38 LYS CD C 29.293 0 1 350 38 38 LYS CE C 42.066 0 1 351 38 38 LYS N N 124.028 0.059 1 352 39 39 GLU H H 9.334 0.056 1 353 39 39 GLU HA H 3.78 0.011 1 354 39 39 GLU HB2 H 1.941 0.044 1 355 39 39 GLU HB3 H 1.894 0 1 356 39 39 GLU HG2 H 2.207 0.006 1 357 39 39 GLU HG3 H 2.1 0.007 1 358 39 39 GLU C C 177.748 0.043 1 359 39 39 GLU CA C 58.498 0.148 1 360 39 39 GLU CB C 29.203 0.065 1 361 39 39 GLU CG C 36.274 0.013 1 362 39 39 GLU N N 135.575 0.467 1 363 40 40 GLY H H 9.008 0.012 1 364 40 40 GLY HA2 H 3.951 0.002 1 365 40 40 GLY HA3 H 3.513 0.032 1 366 40 40 GLY C C 172.96 0.009 1 367 40 40 GLY CA C 45.4 0.134 1 368 40 40 GLY N N 114.383 0.062 1 369 41 41 TYR H H 7.261 0.009 1 370 41 41 TYR HA H 4.202 0.003 1 371 41 41 TYR HB2 H 2.511 0.003 1 372 41 41 TYR HB3 H 2.43 0.005 1 373 41 41 TYR C C 174.235 0.053 1 374 41 41 TYR CA C 58.201 0.097 1 375 41 41 TYR CB C 40.81 0.155 1 376 41 41 TYR N N 121.488 0.07 1 377 42 42 VAL H H 7.159 0.013 1 378 42 42 VAL HA H 3.836 0.004 1 379 42 42 VAL HB H 1.549 0.005 1 380 42 42 VAL HG1 H 0.609 0.007 2 381 42 42 VAL HG2 H 0.609 0.007 2 382 42 42 VAL CA C 60.607 0.046 1 383 42 42 VAL CB C 33.867 0.025 1 384 42 42 VAL CG1 C 21.894 1.697 1 385 42 42 VAL CG2 C 20.66 0 1 386 42 42 VAL N N 127.2 0.054 1 387 43 43 LEU H H 7.267 0.007 1 388 43 43 LEU HA H 4.126 0.003 1 389 43 43 LEU HB2 H 1.441 0.001 1 390 43 43 LEU HB3 H 1.441 0.001 1 391 43 43 LEU HG H 1.335 0.002 1 392 43 43 LEU HD1 H 0.841 0.001 2 393 43 43 LEU HD2 H 0.789 0.005 2 394 43 43 LEU C C 175.17 0.012 1 395 43 43 LEU CA C 56.457 0.06 1 396 43 43 LEU CB C 42.768 0.055 1 397 43 43 LEU CG C 29.577 0 1 398 43 43 LEU CD1 C 25.579 0 1 399 43 43 LEU N N 128.255 0.071 1 400 44 44 THR H H 9.03 0.031 1 401 44 44 THR HA H 4.33 0.002 1 402 44 44 THR HB H 4.073 0.003 1 403 44 44 THR HG2 H 0.929 0.004 1 404 44 44 THR C C 174.527 0.889 1 405 44 44 THR CA C 61.962 0.195 1 406 44 44 THR CB C 71.586 0.151 1 407 44 44 THR CG2 C 21.155 0.443 1 408 44 44 THR N N 110.994 0.085 1 409 45 45 SER H H 9.094 0.013 1 410 45 45 SER HA H 4.435 0.009 1 411 45 45 SER HB2 H 4.145 0.012 1 412 45 45 SER HB3 H 3.946 0.007 1 413 45 45 SER C C 174.779 0.003 1 414 45 45 SER CA C 58.172 0.153 1 415 45 45 SER CB C 64.135 0.278 1 416 45 45 SER N N 121.721 0.06 1 417 46 46 ARG H H 8.945 0.011 1 418 46 46 ARG HA H 3.609 0.002 1 419 46 46 ARG HB2 H 1.859 0.002 1 420 46 46 ARG HB3 H 1.632 0.038 1 421 46 46 ARG HD2 H 3.187 0.001 1 422 46 46 ARG HD3 H 3.034 0.002 1 423 46 46 ARG C C 178.265 0.005 1 424 46 46 ARG CA C 60.004 0.074 1 425 46 46 ARG CB C 29.452 0.134 1 426 46 46 ARG CG C 28.543 0 1 427 46 46 ARG CD C 42.839 0.032 1 428 46 46 ARG N N 125.834 0.082 1 429 47 47 GLU H H 9.046 0.009 1 430 47 47 GLU HA H 3.803 0.004 1 431 47 47 GLU HB2 H 2.075 0.004 1 432 47 47 GLU HB3 H 1.782 0.004 1 433 47 47 GLU HG2 H 2.456 0.006 1 434 47 47 GLU HG3 H 2.185 0.004 1 435 47 47 GLU C C 178.479 0.008 1 436 47 47 GLU CA C 61.374 0.095 1 437 47 47 GLU CB C 28.601 0.074 1 438 47 47 GLU CG C 37.847 0.013 1 439 47 47 GLU N N 116.251 0.062 1 440 48 48 ALA H H 8.065 0.009 1 441 48 48 ALA HA H 3.97 0.004 1 442 48 48 ALA HB H 1.538 0.003 1 443 48 48 ALA C C 179.763 0.009 1 444 48 48 ALA CA C 55.462 0.122 1 445 48 48 ALA CB C 18.414 0.035 1 446 48 48 ALA N N 122.898 0.071 1 447 49 49 GLY H H 7.543 0.009 1 448 49 49 GLY HA2 H 4.122 0.039 2 449 49 49 GLY HA3 H 3.45 0.036 2 450 49 49 GLY C C 175.664 0.005 1 451 49 49 GLY CA C 48.383 0.685 1 452 49 49 GLY N N 105.63 0.058 1 453 50 50 CYS H H 8.551 0.016 1 454 50 50 CYS HA H 4.442 0.003 1 455 50 50 CYS HB2 H 2.837 0.003 1 456 50 50 CYS HB3 H 2.71 0.003 1 457 50 50 CYS C C 177.735 0.244 1 458 50 50 CYS CA C 55.229 0.033 1 459 50 50 CYS CB C 34.937 0.139 1 460 50 50 CYS N N 119.096 0.049 1 461 51 51 ALA H H 8.466 0.018 1 462 51 51 ALA HA H 3.582 0.004 1 463 51 51 ALA HB H 1.543 0.01 1 464 51 51 ALA C C 178.123 0.01 1 465 51 51 ALA CA C 55.978 0.114 1 466 51 51 ALA CB C 18.085 0.084 1 467 51 51 ALA N N 123.392 0.074 1 468 52 52 ILE H H 8.052 0.01 1 469 52 52 ILE HA H 3.545 0.007 1 470 52 52 ILE HB H 1.92 0.002 1 471 52 52 ILE HG2 H 0.864 0.002 1 472 52 52 ILE HD1 H 0.765 0 1 473 52 52 ILE C C 174.456 0 1 474 52 52 ILE CA C 65.808 0.049 1 475 52 52 ILE CB C 37.741 0.052 1 476 52 52 ILE CG1 C 29.898 0 1 477 52 52 ILE CG2 C 17.364 0 1 478 52 52 ILE CD1 C 12.445 0 1 479 52 52 ILE N N 118.417 0.094 1 480 53 53 LEU H H 8.038 0.007 1 481 53 53 LEU HA H 3.845 0 1 482 53 53 LEU C C 174.678 0.035 1 483 53 53 LEU CA C 57.652 1.656 1 484 53 53 LEU CB C 41.791 0.466 1 485 53 53 LEU CG C 26.51 0 1 486 53 53 LEU CD1 C 24.885 0 1 487 53 53 LEU N N 123.06 0.1 1 488 54 54 CYS H H 8.067 0.01 1 489 54 54 CYS HA H 4.015 0.005 1 490 54 54 CYS HB2 H 2.83 0.016 1 491 54 54 CYS HB3 H 2.83 0.016 1 492 54 54 CYS C C 176.429 0.237 1 493 54 54 CYS CA C 60.003 0.036 1 494 54 54 CYS CB C 42.17 0.012 1 495 54 54 CYS N N 119.61 0.057 1 496 55 55 LEU H H 8.88 0.009 1 497 55 55 LEU HA H 3.53 0.006 1 498 55 55 LEU HB2 H 1.842 0.001 1 499 55 55 LEU HB3 H 1.271 0.006 1 500 55 55 LEU HG H 0.694 0.001 1 501 55 55 LEU HD1 H 0.613 0 2 502 55 55 LEU HD2 H 0.244 0.004 2 503 55 55 LEU C C 179.013 0 1 504 55 55 LEU CA C 57.628 0.14 1 505 55 55 LEU CB C 40.417 0.066 1 506 55 55 LEU CG C 26.048 0 1 507 55 55 LEU CD1 C 26.048 0 1 508 55 55 LEU N N 122.92 0.054 1 509 56 56 SER H H 7.851 0.01 1 510 56 56 SER HA H 3.883 0.01 1 511 56 56 SER HB2 H 3.685 0.097 1 512 56 56 SER HB3 H 3.547 0.01 1 513 56 56 SER C C 176.08 0 1 514 56 56 SER CA C 62.966 0.045 1 515 56 56 SER CB C 63.429 0.05 1 516 56 56 SER N N 114.271 0.05 1 517 57 57 SER H H 8.037 0.008 1 518 57 57 SER HA H 4.277 0.003 1 519 57 57 SER HB2 H 3.975 0.015 1 520 57 57 SER HB3 H 3.975 0.015 1 521 57 57 SER CA C 61.337 0.069 1 522 57 57 SER CB C 62.742 0.134 1 523 57 57 SER N N 118.906 0.044 1 524 58 58 LYS H H 8.359 0.009 1 525 58 58 LYS CA C 57.399 0.053 1 526 58 58 LYS CB C 31.008 0.014 1 527 58 58 LYS CG C 24.75 0 1 528 58 58 LYS CD C 27.801 0 1 529 58 58 LYS CE C 42.31 0 1 530 58 58 LYS N N 122.202 0.041 1 531 59 59 LEU H H 6.65 0.009 1 532 59 59 LEU HA H 4.216 0.008 1 533 59 59 LEU HB2 H 1.402 0.005 1 534 59 59 LEU HB3 H 1.249 0.005 1 535 59 59 LEU HG H 1.197 0 1 536 59 59 LEU HD1 H 0.7 0.007 2 537 59 59 LEU HD2 H 0.376 0.004 2 538 59 59 LEU CA C 54.019 0.032 1 539 59 59 LEU CB C 42.926 0.063 1 540 59 59 LEU CG C 26.977 0 1 541 59 59 LEU CD1 C 24.734 0.019 1 542 59 59 LEU CD2 C 22.645 0 1 543 59 59 LEU N N 118.06 0.051 1 544 60 60 ASN H H 7.879 0.007 1 545 60 60 ASN HA H 4.543 0.001 1 546 60 60 ASN HB2 H 2.887 0.005 1 547 60 60 ASN HB3 H 2.677 0.005 1 548 60 60 ASN C C 175.155 0 1 549 60 60 ASN CA C 54.115 0.052 1 550 60 60 ASN CB C 36.824 0.061 1 551 60 60 ASN N N 114.352 0.058 1 552 61 61 LEU H H 7.756 0.011 1 553 61 61 LEU CA C 55.506 0 1 554 61 61 LEU CB C 40.941 0 1 555 61 61 LEU N N 111.024 0.048 1 556 63 63 ASP H H 9.267 0.009 1 557 63 63 ASP CA C 52.687 0 1 558 63 63 ASP CB C 41.357 0 1 559 63 63 ASP N N 126.175 0.047 1 560 64 64 PRO HA H 4.272 0.008 1 561 64 64 PRO HB2 H 2.357 0.005 1 562 64 64 PRO HB3 H 2.065 0.004 1 563 64 64 PRO HG2 H 1.939 0.003 1 564 64 64 PRO HG3 H 1.851 0.007 1 565 64 64 PRO HD2 H 3.841 0.005 1 566 64 64 PRO HD3 H 3.707 0.006 1 567 64 64 PRO C C 177.507 0.007 1 568 64 64 PRO CA C 65.306 0.092 1 569 64 64 PRO CB C 31.86 0.07 1 570 64 64 PRO CG C 27.663 0.021 1 571 64 64 PRO CD C 51.328 0.07 1 572 65 65 GLU H H 8.489 0.012 1 573 65 65 GLU HA H 4.25 0.004 1 574 65 65 GLU HB2 H 1.948 0.005 1 575 65 65 GLU HB3 H 1.948 0.005 1 576 65 65 GLU HG2 H 2.188 0.003 1 577 65 65 GLU HG3 H 2.114 0.008 1 578 65 65 GLU C C 177.086 0.011 1 579 65 65 GLU CA C 56.528 0.181 1 580 65 65 GLU CB C 29.353 0.145 1 581 65 65 GLU CG C 36.853 0.003 1 582 65 65 GLU N N 115.671 0.092 1 583 66 66 GLY H H 8.327 0.009 1 584 66 66 GLY HA2 H 4.175 0.02 2 585 66 66 GLY HA3 H 3.475 0.015 2 586 66 66 GLY C C 173.196 0.016 1 587 66 66 GLY CA C 45.661 0 1 588 66 66 GLY N N 108.009 0.077 1 589 67 67 THR H H 7.509 0.011 1 590 67 67 THR HA H 4.505 0.008 1 591 67 67 THR HB H 4.147 0.004 1 592 67 67 THR HG1 H 5.528 0.461 1 593 67 67 THR HG2 H 0.951 0.006 1 594 67 67 THR C C 173.64 0.005 1 595 67 67 THR CA C 59.641 0.045 1 596 67 67 THR CB C 69.814 0.245 1 597 67 67 THR CG2 C 21.115 0 1 598 67 67 THR N N 113.73 0.077 1 599 68 68 LEU H H 9.258 0.016 1 600 68 68 LEU HA H 4.771 0 1 601 68 68 LEU HB2 H 1.548 0 1 602 68 68 LEU HB3 H 1.548 0 1 603 68 68 LEU HG H 1.454 0 1 604 68 68 LEU HD1 H 1.482 0 2 605 68 68 LEU HD2 H 1.482 0 2 606 68 68 LEU C C 175.972 0 1 607 68 68 LEU CA C 56.656 0.023 1 608 68 68 LEU CB C 42.611 0.094 1 609 68 68 LEU CG C 27.401 0 1 610 68 68 LEU CD1 C 24.344 0 1 611 68 68 LEU N N 126.829 0.093 1 612 69 69 HIS H H 9.687 0.009 1 613 69 69 HIS HA H 4.345 0.021 1 614 69 69 HIS HB2 H 3.059 0 1 615 69 69 HIS HB3 H 2.561 0 1 616 69 69 HIS C C 176.294 0.011 1 617 69 69 HIS CA C 57.73 0.242 1 618 69 69 HIS CB C 31.85 0.082 1 619 69 69 HIS N N 131.618 0.072 1 620 70 70 ARG H H 9.021 0.02 1 621 70 70 ARG HA H 4.611 0.004 1 622 70 70 ARG C C 176.633 0.008 1 623 70 70 ARG CA C 60.337 0.123 1 624 70 70 ARG CB C 30.449 0.047 1 625 70 70 ARG CG C 26.688 0 1 626 70 70 ARG CD C 42.9 0 1 627 70 70 ARG N N 132.301 0.111 1 628 71 71 GLY HA2 H 4.019 0.005 1 629 71 71 GLY HA3 H 3.672 0.01 1 630 71 71 GLY C C 177.305 0 1 631 71 71 GLY CA C 47.758 0.171 1 632 71 71 GLY N N 107.102 0.062 1 633 72 72 ASN H H 11.487 0.01 1 634 72 72 ASN HA H 4.481 0.009 1 635 72 72 ASN HB2 H 2.686 0.002 1 636 72 72 ASN HB3 H 2.686 0.002 1 637 72 72 ASN C C 179.501 0.015 1 638 72 72 ASN CA C 55.348 0.035 1 639 72 72 ASN CB C 36.805 0.047 1 640 72 72 ASN N N 123.943 0.02 1 641 73 73 THR H H 8.15 0.007 1 642 73 73 THR HA H 4.046 0.004 1 643 73 73 THR HB H 3.892 0 1 644 73 73 THR HG1 H 5.212 0.007 1 645 73 73 THR HG2 H 1.083 0.002 1 646 73 73 THR CA C 67 0.036 1 647 73 73 THR CB C 68.079 0.054 1 648 73 73 THR CG2 C 21.171 0 1 649 73 73 THR N N 120.667 0.056 1 650 74 74 VAL H H 8.727 0.013 1 651 74 74 VAL HA H 3.448 0.005 1 652 74 74 VAL HB H 2.048 0.004 1 653 74 74 VAL HG1 H 0.651 0.003 1 654 74 74 VAL HG2 H 0.309 0.006 1 655 74 74 VAL CA C 66.919 0.056 1 656 74 74 VAL CB C 30.738 0.085 1 657 74 74 VAL CG1 C 20.739 0.449 1 658 74 74 VAL CG2 C 19.304 0 1 659 74 74 VAL N N 123.304 0.047 1 660 75 75 GLU H H 7.697 0.006 1 661 75 75 GLU HA H 3.939 0.002 1 662 75 75 GLU HB2 H 2.057 0 1 663 75 75 GLU HB3 H 1.937 0 1 664 75 75 GLU HG2 H 2.323 0.004 1 665 75 75 GLU HG3 H 2.323 0.004 1 666 75 75 GLU C C 178.608 0 1 667 75 75 GLU CA C 59.669 0.048 1 668 75 75 GLU CB C 29.297 0.019 1 669 75 75 GLU CG C 35.988 0.001 1 670 75 75 GLU N N 117.756 0.045 1 671 76 76 PHE H H 7.709 0.009 1 672 76 76 PHE HA H 4.442 0.003 1 673 76 76 PHE HB2 H 3.46 0.001 1 674 76 76 PHE HB3 H 3.276 0.001 1 675 76 76 PHE C C 177.154 0 1 676 76 76 PHE CA C 60.663 0.066 1 677 76 76 PHE CB C 39.491 0.098 1 678 76 76 PHE N N 120.766 0.114 1 679 77 77 ALA H H 8.657 0.172 1 680 77 77 ALA HA H 3.924 0.004 1 681 77 77 ALA HB H 1.358 0.039 1 682 77 77 ALA C C 181.433 0 1 683 77 77 ALA CA C 55.297 0.042 1 684 77 77 ALA CB C 16.945 0.022 1 685 77 77 ALA N N 122.425 0.039 1 686 78 78 LYS H H 8.611 0.006 1 687 78 78 LYS HA H 4.05 0.002 1 688 78 78 LYS HG3 H 1.441 0 1 689 78 78 LYS HD2 H 1.847 0 1 690 78 78 LYS C C 178.971 1.716 1 691 78 78 LYS CA C 59.619 0.103 1 692 78 78 LYS CB C 31.486 0.237 1 693 78 78 LYS CG C 25.225 0 1 694 78 78 LYS CD C 28.976 0 1 695 78 78 LYS CE C 41.627 0 1 696 78 78 LYS N N 119.167 0.056 1 697 79 79 GLN H H 7.98 0.013 1 698 79 79 GLN HA H 3.865 0.003 1 699 79 79 GLN HB2 H 2.025 0.003 1 700 79 79 GLN HB3 H 1.733 0.002 1 701 79 79 GLN HG2 H 2.266 0.002 1 702 79 79 GLN HG3 H 2.159 0.001 1 703 79 79 GLN C C 176.489 0.006 1 704 79 79 GLN CA C 57.95 0.169 1 705 79 79 GLN CB C 27.682 0.095 1 706 79 79 GLN CG C 33.677 0.049 1 707 79 79 GLN N N 120.527 1.129 1 708 80 80 HIS H H 7.059 0.01 1 709 80 80 HIS HA H 4.542 0.005 1 710 80 80 HIS HB2 H 3.374 0.001 1 711 80 80 HIS HB3 H 2.349 0.004 1 712 80 80 HIS C C 173.751 0.005 1 713 80 80 HIS CA C 56.287 0.058 1 714 80 80 HIS CB C 29.801 0.051 1 715 80 80 HIS N N 115.3 0.072 1 716 81 81 GLY H H 7.29 0.01 1 717 81 81 GLY HA2 H 4.154 0.004 2 718 81 81 GLY HA3 H 3.581 0.002 2 719 81 81 GLY C C 174.987 0.011 1 720 81 81 GLY CA C 45.221 0.186 1 721 81 81 GLY N N 104.005 0.085 1 722 82 82 SER H H 7.727 0.007 1 723 82 82 SER HA H 4.094 0.005 1 724 82 82 SER HB2 H 3.448 0.005 1 725 82 82 SER HB3 H 3.157 0.002 1 726 82 82 SER HG H 5.487 0.044 1 727 82 82 SER C C 174.64 0.007 1 728 82 82 SER CA C 59.422 0.141 1 729 82 82 SER CB C 64.818 0.151 1 730 82 82 SER N N 115.906 0.062 1 731 83 83 ASP H H 7.986 0.011 1 732 83 83 ASP HA H 4.815 0.021 1 733 83 83 ASP HB2 H 3.095 0.006 1 734 83 83 ASP HB3 H 2.747 0.007 1 735 83 83 ASP C C 177.246 0.026 1 736 83 83 ASP CA C 52.545 0.131 1 737 83 83 ASP CB C 41.244 0.163 1 738 83 83 ASP N N 122.766 0.046 1 739 84 84 ASP H H 8.516 0.016 1 740 84 84 ASP HA H 4.174 0.01 1 741 84 84 ASP HB2 H 2.618 0.007 1 742 84 84 ASP HB3 H 2.582 0.015 1 743 84 84 ASP C C 178.134 1.393 1 744 84 84 ASP CA C 58.717 0.442 1 745 84 84 ASP CB C 41.58 0.111 1 746 84 84 ASP N N 120.558 0.082 1 747 85 85 ALA H H 8.021 0.008 1 748 85 85 ALA HA H 4.114 0.001 1 749 85 85 ALA HB H 1.44 0.003 1 750 85 85 ALA C C 181.078 0.004 1 751 85 85 ALA CA C 55.345 0.026 1 752 85 85 ALA CB C 17.849 0.016 1 753 85 85 ALA N N 120.68 0.046 1 754 86 86 MET H H 8.581 0.009 1 755 86 86 MET HA H 4.052 0.003 1 756 86 86 MET HB2 H 2.04 0 1 757 86 86 MET HB3 H 1.941 0 1 758 86 86 MET HG2 H 2.76 0 1 759 86 86 MET HG3 H 2.76 0 1 760 86 86 MET HE H 1.043 0 1 761 86 86 MET C C 177.136 0.028 1 762 86 86 MET CA C 59.328 0.045 1 763 86 86 MET CB C 31.271 0.044 1 764 86 86 MET CG C 33.014 0 1 765 86 86 MET N N 119.929 0.038 1 766 87 87 ALA H H 7.468 0.008 1 767 87 87 ALA HA H 3.678 0.005 1 768 87 87 ALA HB H 1.426 0.005 1 769 87 87 ALA C C 178.747 0.009 1 770 87 87 ALA CA C 55.681 0.084 1 771 87 87 ALA CB C 20.052 0.145 1 772 87 87 ALA N N 120.068 0.03 1 773 88 88 HIS H H 8.044 0.007 1 774 88 88 HIS HA H 3.877 0.007 1 775 88 88 HIS HB2 H 3.135 0.009 1 776 88 88 HIS HB3 H 2.979 0.001 1 777 88 88 HIS C C 178.174 0.018 1 778 88 88 HIS CA C 60.677 0.051 1 779 88 88 HIS CB C 30.979 0.19 1 780 88 88 HIS N N 113.454 0.089 1 781 89 89 GLN H H 8.037 0.007 1 782 89 89 GLN HA H 4.212 0.003 1 783 89 89 GLN HB2 H 2.551 0.004 1 784 89 89 GLN HB3 H 2.378 0.005 1 785 89 89 GLN C C 178.513 0.004 1 786 89 89 GLN CA C 59.302 0.034 1 787 89 89 GLN CB C 28.111 0.105 1 788 89 89 GLN CG C 33.569 0.016 1 789 89 89 GLN N N 121.14 0.038 1 790 90 90 LEU H H 8.38 0.008 1 791 90 90 LEU HA H 4.111 0.003 1 792 90 90 LEU HB2 H 2.22 0.008 1 793 90 90 LEU HB3 H 2.22 0.008 1 794 90 90 LEU HG H 1.411 0.006 1 795 90 90 LEU HD1 H 0.891 0.004 2 796 90 90 LEU HD2 H 1.09 0.001 2 797 90 90 LEU C C 178.822 0 1 798 90 90 LEU CA C 59.179 0.171 1 799 90 90 LEU CB C 42.224 0.051 1 800 90 90 LEU CG C 26.652 0 1 801 90 90 LEU CD1 C 24.366 0 1 802 90 90 LEU N N 118.187 0.071 1 803 91 91 VAL H H 7.155 0.015 1 804 91 91 VAL HA H 3.197 0.004 1 805 91 91 VAL HB H 2.051 0.008 1 806 91 91 VAL HG1 H 0.985 0.007 2 807 91 91 VAL HG2 H 0.33 0.006 2 808 91 91 VAL CA C 66.319 0.071 1 809 91 91 VAL CB C 30.962 0.173 1 810 91 91 VAL CG1 C 21.712 0.92 1 811 91 91 VAL CG2 C 20.678 0 1 812 91 91 VAL N N 120.766 0 1 813 92 92 ASP H H 8.509 0.015 1 814 92 92 ASP HA H 4.205 0.006 1 815 92 92 ASP HB2 H 3.066 0.045 1 816 92 92 ASP HB3 H 2.659 0.006 1 817 92 92 ASP C C 180.097 0.008 1 818 92 92 ASP CA C 57.959 0.076 1 819 92 92 ASP CB C 39.775 0.064 1 820 92 92 ASP N N 120.76 0.037 1 821 93 93 ILE H H 8.384 0.011 1 822 93 93 ILE HA H 3.772 0.006 1 823 93 93 ILE HB H 2.214 0.002 1 824 93 93 ILE HG2 H 1.019 0.011 1 825 93 93 ILE HD1 H 0.701 0.007 1 826 93 93 ILE C C 175.486 0 1 827 93 93 ILE CA C 65.514 0.087 1 828 93 93 ILE CB C 38.804 0.106 1 829 93 93 ILE CG1 C 28.971 0 1 830 93 93 ILE CG2 C 18.72 0 1 831 93 93 ILE CD1 C 14.641 0.09 1 832 93 93 ILE N N 121.202 0.047 1 833 94 94 VAL H H 7.923 0.009 1 834 94 94 VAL HA H 3.292 0.002 1 835 94 94 VAL HB H 2.007 0.007 1 836 94 94 VAL HG1 H 0.902 0.003 2 837 94 94 VAL HG2 H 0.798 0.002 2 838 94 94 VAL CA C 68.56 0.057 1 839 94 94 VAL CB C 30.907 0.051 1 840 94 94 VAL CG1 C 23.221 0.638 1 841 94 94 VAL N N 120.717 0.04 1 842 95 95 HIS H H 9.233 0.014 1 843 95 95 HIS HA H 4.564 0.007 1 844 95 95 HIS HB2 H 3.215 0.006 1 845 95 95 HIS HB3 H 3.136 0.008 1 846 95 95 HIS C C 178.106 0.011 1 847 95 95 HIS CA C 57.676 0.054 1 848 95 95 HIS CB C 29.791 0.039 1 849 95 95 HIS N N 118.137 0.077 1 850 96 96 ALA H H 8.24 0.008 1 851 96 96 ALA HA H 4.193 0.013 1 852 96 96 ALA HB H 1.536 0.008 1 853 96 96 ALA C C 181.877 0.003 1 854 96 96 ALA CA C 55.376 0.136 1 855 96 96 ALA CB C 17.55 0.08 1 856 96 96 ALA N N 122.289 0.075 1 857 97 97 CYS H H 8.49 0.009 1 858 97 97 CYS HA H 4.647 0.008 1 859 97 97 CYS HB2 H 3.584 0.006 1 860 97 97 CYS HB3 H 2.913 0.005 1 861 97 97 CYS C C 176.485 0.005 1 862 97 97 CYS CA C 57.873 0.087 1 863 97 97 CYS CB C 39.818 0.027 1 864 97 97 CYS N N 120.441 0.084 1 865 98 98 GLU H H 8.932 0.009 1 866 98 98 GLU HA H 3.733 0.008 1 867 98 98 GLU HB2 H 2.428 0 1 868 98 98 GLU HB3 H 1.967 0 1 869 98 98 GLU HG2 H 2.603 0.002 1 870 98 98 GLU HG3 H 2.436 0.004 1 871 98 98 GLU C C 177.99 0.011 1 872 98 98 GLU CA C 59.477 0.071 1 873 98 98 GLU CB C 29.577 0.065 1 874 98 98 GLU CG C 36.499 0 1 875 98 98 GLU N N 120.288 0.08 1 876 99 99 LYS H H 7.132 0.009 1 877 99 99 LYS HA H 4.276 0.005 1 878 99 99 LYS HB2 H 1.874 0.04 1 879 99 99 LYS HB3 H 1.777 0.027 1 880 99 99 LYS HG2 H 1.418 0.004 1 881 99 99 LYS HG3 H 1.377 0.008 1 882 99 99 LYS HD2 H 1.709 0.03 1 883 99 99 LYS HD3 H 1.616 0.003 1 884 99 99 LYS HE2 H 2.81 0 1 885 99 99 LYS HE3 H 2.712 0 1 886 99 99 LYS C C 177.273 0.008 1 887 99 99 LYS CA C 56.369 0.258 1 888 99 99 LYS CB C 33.073 0.041 1 889 99 99 LYS CG C 24.811 0 1 890 99 99 LYS CD C 28.602 0 1 891 99 99 LYS CE C 42.197 0 1 892 99 99 LYS N N 113.815 0.08 1 893 100 100 SER H H 7.916 0.01 1 894 100 100 SER HA H 4.423 0.007 1 895 100 100 SER HB2 H 3.941 0.005 1 896 100 100 SER HB3 H 3.792 0.007 1 897 100 100 SER C C 174.886 0.022 1 898 100 100 SER CA C 59.308 0.067 1 899 100 100 SER CB C 64.216 0.123 1 900 100 100 SER N N 114.552 0.072 1 901 101 101 VAL H H 7.559 0.014 1 902 101 101 VAL HA H 4.292 0.004 1 903 101 101 VAL HB H 2.014 0.01 1 904 101 101 VAL HG1 H 0.963 0.004 2 905 101 101 VAL HG2 H 0.897 0.009 2 906 101 101 VAL CA C 60.282 0.06 1 907 101 101 VAL CB C 31.716 0.236 1 908 101 101 VAL CG1 C 21.226 0 1 909 101 101 VAL N N 124.015 0.121 1 910 102 102 PRO HA H 4.543 0.002 1 911 102 102 PRO HB2 H 2.27 0.002 2 912 102 102 PRO HB3 H 2.042 0 2 913 102 102 PRO HG2 H 1.935 0 2 914 102 102 PRO HG3 H 1.766 0.002 2 915 102 102 PRO HD2 H 3.897 0.009 2 916 102 102 PRO HD3 H 3.555 0.003 2 917 103 103 PRO HA H 4.236 0.001 1 918 103 103 PRO HB2 H 2.19 0.004 2 919 103 103 PRO HB3 H 1.958 0.007 2 920 103 103 PRO HD2 H 3.765 0.003 2 921 103 103 PRO HD3 H 3.553 0.007 2 922 103 103 PRO CA C 63.289 0.026 1 923 103 103 PRO CB C 32.052 0.023 1 924 103 103 PRO CG C 27.429 0.143 1 925 103 103 PRO CD C 50.477 0.09 1 926 104 104 ASN H H 7.87 0.009 1 927 104 104 ASN HA H 4.602 0.007 1 928 104 104 ASN HB2 H 2.538 0.006 1 929 104 104 ASN HB3 H 2.438 0.006 1 930 104 104 ASN C C 174.268 0 1 931 104 104 ASN CA C 52.87 0.113 1 932 104 104 ASN CB C 42.6 0.086 1 933 104 104 ASN N N 122.117 0.072 1 934 105 105 GLU H H 8.731 0.008 1 935 105 105 GLU HA H 4.015 0.005 1 936 105 105 GLU HB2 H 2.018 0.006 1 937 105 105 GLU HB3 H 1.908 0.005 1 938 105 105 GLU HG2 H 2.275 0 1 939 105 105 GLU HG3 H 2.203 0 1 940 105 105 GLU C C 175.749 0.004 1 941 105 105 GLU CA C 58.027 0.092 1 942 105 105 GLU CB C 29.701 0.074 1 943 105 105 GLU CG C 36.3 0.003 1 944 105 105 GLU N N 124.863 0.084 1 945 106 106 ASP H H 8.719 0.013 1 946 106 106 ASP HA H 4.653 0.007 1 947 106 106 ASP HB2 H 2.931 0.006 1 948 106 106 ASP HB3 H 2.454 0.005 1 949 106 106 ASP C C 176.332 0.008 1 950 106 106 ASP CA C 52.744 0.1 1 951 106 106 ASP CB C 41.743 0.101 1 952 106 106 ASP N N 119.868 0.071 1 953 107 107 ASN H H 8.79 0.008 1 954 107 107 ASN HA H 4.271 0.003 1 955 107 107 ASN HB2 H 2.798 0.002 1 956 107 107 ASN HB3 H 2.721 0.002 1 957 107 107 ASN C C 178.115 0.016 1 958 107 107 ASN CA C 56.051 0.047 1 959 107 107 ASN CB C 37.241 0.13 1 960 107 107 ASN N N 125.771 0.068 1 961 108 108 CYS H H 8.293 0.008 1 962 108 108 CYS HA H 4.028 0.002 1 963 108 108 CYS HB2 H 3.726 0.003 1 964 108 108 CYS HB3 H 3.072 0.002 1 965 108 108 CYS C C 176.518 0.021 1 966 108 108 CYS CA C 61.008 0.077 1 967 108 108 CYS CB C 43.816 0.277 1 968 108 108 CYS N N 119.079 0.056 1 969 109 109 LEU H H 7.526 0.007 1 970 109 109 LEU HA H 4.065 0.006 1 971 109 109 LEU HB2 H 1.782 0.011 1 972 109 109 LEU HB3 H 1.402 0.052 1 973 109 109 LEU HG H 1.386 0 1 974 109 109 LEU HD1 H 0.945 0.002 2 975 109 109 LEU HD2 H 0.755 0.004 2 976 109 109 LEU C C 178.762 0 1 977 109 109 LEU CA C 57.244 0.053 1 978 109 109 LEU CB C 40.887 0.196 1 979 109 109 LEU CG C 27.246 0 1 980 109 109 LEU CD1 C 25.139 0 1 981 109 109 LEU CD2 C 22.295 0 1 982 109 109 LEU N N 120.057 0.097 1 983 110 110 MET H H 8.232 0.01 1 984 110 110 MET HA H 4.295 0.006 1 985 110 110 MET HB2 H 2.19 0.002 1 986 110 110 MET HB3 H 2.096 0.005 1 987 110 110 MET HG2 H 2.662 0.004 1 988 110 110 MET HG3 H 2.562 0.006 1 989 110 110 MET C C 177.577 0.012 1 990 110 110 MET CA C 58.331 0.107 1 991 110 110 MET CB C 31.594 0.138 1 992 110 110 MET N N 121.688 0.064 1 993 111 111 ALA H H 7.822 0.018 1 994 111 111 ALA HA H 3.994 0.046 1 995 111 111 ALA HB H 1.398 0.002 1 996 111 111 ALA C C 180.701 0.014 1 997 111 111 ALA CA C 55.462 0.084 1 998 111 111 ALA CB C 18.354 0.066 1 999 111 111 ALA N N 120.45 0.337 1 1000 112 112 LEU H H 7.808 0.011 1 1001 112 112 LEU HA H 3.853 0.007 1 1002 112 112 LEU HB2 H 1.861 0.003 1 1003 112 112 LEU HB3 H 1.516 0.003 1 1004 112 112 LEU HG H 1.541 0 1 1005 112 112 LEU HD1 H 0.633 0 2 1006 112 112 LEU HD2 H 0.578 0 2 1007 112 112 LEU CA C 58.543 0.029 1 1008 112 112 LEU CB C 42.758 0.117 1 1009 112 112 LEU CD1 C 24.412 0 1 1010 112 112 LEU N N 119.645 0.106 1 1011 113 113 GLY H H 7.963 0.009 1 1012 113 113 GLY HA2 H 3.881 0.012 1 1013 113 113 GLY HA3 H 3.811 0.009 1 1014 113 113 GLY C C 177.811 0.009 1 1015 113 113 GLY CA C 47.852 1.007 1 1016 113 113 GLY N N 106.691 0.075 1 1017 114 114 ILE H H 8.922 0.008 1 1018 114 114 ILE HA H 3.539 0.006 1 1019 114 114 ILE HB H 1.763 0.002 1 1020 114 114 ILE HG2 H 0.879 0.001 1 1021 114 114 ILE CA C 66.179 0.076 1 1022 114 114 ILE CB C 38.192 0.029 1 1023 114 114 ILE CG1 C 30.113 0 1 1024 114 114 ILE CG2 C 17.963 0 1 1025 114 114 ILE CD1 C 14.539 0 1 1026 114 114 ILE N N 124.466 0.077 1 1027 115 115 SER H H 8.621 0.008 1 1028 115 115 SER HA H 4.149 0.059 1 1029 115 115 SER C C 176.226 0.011 1 1030 115 115 SER CA C 62.881 0.638 1 1031 115 115 SER CB C 63.767 0.091 1 1032 115 115 SER N N 117.184 0.051 1 1033 116 116 MET H H 8.086 0.007 1 1034 116 116 MET HA H 4.628 0.005 1 1035 116 116 MET HB2 H 2.226 0.006 2 1036 116 116 MET HB3 H 2.03 0.006 2 1037 116 116 MET HG2 H 2.873 0.01 1 1038 116 116 MET HG3 H 2.536 0.007 1 1039 116 116 MET HE H 0.768 0 1 1040 116 116 MET C C 178.502 0.004 1 1041 116 116 MET CA C 56.375 0.049 1 1042 116 116 MET CB C 31.861 0.087 1 1043 116 116 MET CG C 31.298 0 1 1044 116 116 MET N N 121.551 0.063 1 1045 117 117 CYS H H 7.787 0.009 1 1046 117 117 CYS HA H 4.345 0.001 1 1047 117 117 CYS HB2 H 3.409 0.002 1 1048 117 117 CYS HB3 H 3.201 0.002 1 1049 117 117 CYS C C 175.458 0.006 1 1050 117 117 CYS CA C 59.93 0.143 1 1051 117 117 CYS CB C 37.821 0.16 1 1052 117 117 CYS N N 123.898 0.07 1 1053 118 118 PHE H H 8.771 0.014 1 1054 118 118 PHE HA H 4.062 0 1 1055 118 118 PHE HB2 H 3.487 0.002 1 1056 118 118 PHE HB3 H 2.975 0.003 1 1057 118 118 PHE C C 175.495 0 1 1058 118 118 PHE CA C 56.093 0.019 1 1059 118 118 PHE CB C 39.697 0.062 1 1060 118 118 PHE N N 123.601 0.048 1 1061 119 119 LYS H H 8.704 0.397 1 1062 119 119 LYS HA H 3.188 0 1 1063 119 119 LYS C C 177.343 0.651 1 1064 119 119 LYS CA C 60.019 0.009 1 1065 119 119 LYS CB C 33.734 0.002 1 1066 119 119 LYS CG C 25.86 0 1 1067 119 119 LYS CD C 25.861 0 1 1068 119 119 LYS CE C 43.226 0 1 1069 119 119 LYS N N 123.399 0.063 1 1070 120 120 THR H H 7.926 0.043 1 1071 120 120 THR HA H 3.902 0.005 1 1072 120 120 THR HB H 4.411 0.007 1 1073 120 120 THR HG1 H 5.396 0.015 1 1074 120 120 THR HG2 H 1.2 0.007 1 1075 120 120 THR C C 176.959 0.005 1 1076 120 120 THR CA C 67.036 0.08 1 1077 120 120 THR CB C 69.101 0.124 1 1078 120 120 THR CG2 C 21.512 0.1 1 1079 120 120 THR N N 114 0.092 1 1080 121 121 GLU H H 7.723 0.009 1 1081 121 121 GLU HA H 3.984 0.004 1 1082 121 121 GLU HB2 H 2.019 0 1 1083 121 121 GLU HB3 H 1.922 0 1 1084 121 121 GLU HG2 H 2.435 0 1 1085 121 121 GLU HG3 H 2.363 0 1 1086 121 121 GLU C C 178.624 0.013 1 1087 121 121 GLU CA C 58.583 0.121 1 1088 121 121 GLU CB C 29.338 0.078 1 1089 121 121 GLU CG C 35.104 0.017 1 1090 121 121 GLU N N 120.758 0.089 1 1091 122 122 ILE H H 8.261 0.011 1 1092 122 122 ILE HA H 3.575 0.007 1 1093 122 122 ILE HB H 2.229 0.006 1 1094 122 122 ILE HG2 H 0.494 0.01 1 1095 122 122 ILE C C 176.091 0 1 1096 122 122 ILE CA C 61.617 0.084 1 1097 122 122 ILE CB C 34.197 0.079 1 1098 122 122 ILE CG1 C 26.139 0 1 1099 122 122 ILE CG2 C 18.754 0 1 1100 122 122 ILE CD1 C 9.303 0 1 1101 122 122 ILE N N 120.66 0.073 1 1102 123 123 HIS H H 8.536 0.007 1 1103 123 123 HIS HA H 4.26 0.004 1 1104 123 123 HIS HB2 H 3.239 0.007 1 1105 123 123 HIS HB3 H 3.239 0.007 1 1106 123 123 HIS C C 179.753 0.01 1 1107 123 123 HIS CA C 60.269 1.57 1 1108 123 123 HIS CB C 28.615 0.075 1 1109 123 123 HIS N N 119.537 0.05 1 1110 124 124 LYS H H 7.786 0.205 1 1111 124 124 LYS HA H 3.893 0.013 1 1112 124 124 LYS HB2 H 2.109 0 2 1113 124 124 LYS HB3 H 2.109 0 2 1114 124 124 LYS HG2 H 1.591 0 2 1115 124 124 LYS HG3 H 1.591 0 2 1116 124 124 LYS HE2 H 2.73 0.001 2 1117 124 124 LYS HE3 H 2.73 0.001 2 1118 124 124 LYS C C 178.18 0.023 1 1119 124 124 LYS CA C 58.23 1.983 1 1120 124 124 LYS CB C 32.442 0.105 1 1121 124 124 LYS CG C 25.31 0 1 1122 124 124 LYS CD C 29.613 0 1 1123 124 124 LYS CE C 41.847 0 1 1124 124 124 LYS N N 121.222 0.968 1 1125 125 125 LEU H H 6.998 0.011 1 1126 125 125 LEU HA H 3.694 0.009 1 1127 125 125 LEU HB2 H 1.133 0.006 1 1128 125 125 LEU HB3 H 0.851 0.144 1 1129 125 125 LEU HG H 0.248 0.21 1 1130 125 125 LEU HD1 H -0.157 0.001 2 1131 125 125 LEU HD2 H -0.252 0.004 2 1132 125 125 LEU C C 175.175 0 1 1133 125 125 LEU CA C 54.946 0.436 1 1134 125 125 LEU CB C 41.566 0.035 1 1135 125 125 LEU CG C 25.897 0 1 1136 125 125 LEU CD1 C 24.752 0.077 1 1137 125 125 LEU CD2 C 21.827 0 1 1138 125 125 LEU N N 118.057 0.057 1 1139 126 126 ASN H H 7.865 0.01 1 1140 126 126 ASN HA H 4.556 0.007 1 1141 126 126 ASN HB2 H 3.252 0.005 1 1142 126 126 ASN HB3 H 2.783 0.005 1 1143 126 126 ASN C C 176.201 0.002 1 1144 126 126 ASN CA C 54.233 0.082 1 1145 126 126 ASN CB C 37.154 0.055 1 1146 126 126 ASN N N 112.609 0.061 1 1147 127 127 TRP H H 7.48 0.009 1 1148 127 127 TRP HA H 4.7 0.007 1 1149 127 127 TRP HB2 H 3.176 0.007 1 1150 127 127 TRP HB3 H 2.763 0.008 1 1151 127 127 TRP C C 174.066 0.024 1 1152 127 127 TRP CA C 53.787 0.086 1 1153 127 127 TRP CB C 31.048 0.197 1 1154 127 127 TRP N N 115.626 0.066 1 1155 128 128 ALA H H 7.183 0.008 1 1156 128 128 ALA HA H 3.113 0.01 1 1157 128 128 ALA HB H 0.808 0.011 1 1158 128 128 ALA C C 174.904 0 1 1159 128 128 ALA CA C 49.328 0.1 1 1160 128 128 ALA CB C 17.999 0.149 1 1161 128 128 ALA N N 122.226 0.064 1 1162 129 129 PRO HA H 4.056 0.004 1 1163 129 129 PRO HB2 H 1.119 0 2 1164 129 129 PRO HB3 H 1.031 0 2 1165 129 129 PRO HD2 H 3.76 0 2 1166 129 129 PRO HD3 H 3.547 0 2 1167 129 129 PRO CA C 61.369 0.035 1 1168 129 129 PRO CB C 32.214 0.052 1 1169 129 129 PRO CG C 26.101 0.11 1 1170 129 129 PRO CD C 48.298 0.059 1 1171 130 130 ASP H H 8.077 0.011 1 1172 130 130 ASP HA H 4.367 0.002 1 1173 130 130 ASP HB2 H 2.654 0.002 1 1174 130 130 ASP HB3 H 2.536 0.002 1 1175 130 130 ASP C C 176.695 0.001 1 1176 130 130 ASP CA C 54.646 0.08 1 1177 130 130 ASP CB C 41.561 0.169 1 1178 130 130 ASP N N 120.602 0.054 1 1179 131 131 HIS H H 8.555 0.01 1 1180 131 131 HIS HA H 4.111 0.004 1 1181 131 131 HIS HB2 H 3.055 0.009 1 1182 131 131 HIS HB3 H 3.001 0.003 1 1183 131 131 HIS C C 175.702 0.021 1 1184 131 131 HIS CA C 60.301 0.096 1 1185 131 131 HIS CB C 32.222 0.068 1 1186 131 131 HIS N N 129.419 0.063 1 1187 132 132 GLU H H 8.084 0.007 1 1188 132 132 GLU HA H 3.603 0.005 1 1189 132 132 GLU HB2 H 2.003 0.002 1 1190 132 132 GLU HB3 H 1.941 0.002 1 1191 132 132 GLU HG2 H 2.293 0.002 1 1192 132 132 GLU HG3 H 2.217 0.003 1 1193 132 132 GLU C C 179.574 0.009 1 1194 132 132 GLU CA C 59.684 0.105 1 1195 132 132 GLU CB C 28.82 0.097 1 1196 132 132 GLU CG C 36.622 0.172 1 1197 132 132 GLU N N 117.538 0.056 1 1198 133 133 LEU H H 7.707 0.011 1 1199 133 133 LEU HA H 4.06 0.003 1 1200 133 133 LEU HB2 H 1.532 0.002 2 1201 133 133 LEU HB3 H 1.532 0.002 2 1202 133 133 LEU HG H 0.855 0 1 1203 133 133 LEU HD1 H 0.835 0 2 1204 133 133 LEU HD2 H 0.75 0 2 1205 133 133 LEU CA C 56.821 0.682 1 1206 133 133 LEU CB C 41.741 0.049 1 1207 133 133 LEU CG C 26.908 0 1 1208 133 133 LEU CD1 C 24.105 0 1 1209 133 133 LEU N N 120.078 0.08 1 1210 134 134 LEU H H 7.856 0.01 1 1211 134 134 LEU HA H 3.846 0.003 1 1212 134 134 LEU HB2 H 1.985 0.002 1 1213 134 134 LEU HB3 H 1.985 0.002 1 1214 134 134 LEU HG H 1.49 0.001 1 1215 134 134 LEU HD1 H 0.72 0.002 2 1216 134 134 LEU HD2 H 0.72 0.002 2 1217 134 134 LEU CA C 58.323 0.087 1 1218 134 134 LEU CB C 41.991 0.051 1 1219 134 134 LEU CG C 27.166 0 1 1220 134 134 LEU CD1 C 24.984 0 1 1221 134 134 LEU N N 120.543 0.074 1 1222 135 135 LEU H H 8.209 0.007 1 1223 135 135 LEU HA H 3.842 0.002 1 1224 135 135 LEU HB2 H 1.427 0.003 2 1225 135 135 LEU HB3 H 1.427 0.003 2 1226 135 135 LEU HD1 H 0.746 0.002 2 1227 135 135 LEU HD2 H 0.746 0.002 2 1228 135 135 LEU C C 173.588 0 1 1229 135 135 LEU CA C 57.831 1.246 1 1230 135 135 LEU CB C 41.384 0.081 1 1231 135 135 LEU CG C 26.786 0 1 1232 135 135 LEU CD1 C 24.263 0 1 1233 135 135 LEU CD2 C 24.263 0 1 1234 135 135 LEU N N 119.361 0.038 1 1235 136 136 GLU H H 7.604 0.008 1 1236 136 136 GLU HA H 3.871 0.003 1 1237 136 136 GLU HB2 H 2.154 0.004 1 1238 136 136 GLU HB3 H 2.067 0 1 1239 136 136 GLU HG2 H 2.162 0.001 1 1240 136 136 GLU HG3 H 2.3 0.003 1 1241 136 136 GLU C C 179.605 0.015 1 1242 136 136 GLU CA C 59.444 0.296 1 1243 136 136 GLU CB C 29.424 0.022 1 1244 136 136 GLU CG C 36.008 0.006 1 1245 136 136 GLU N N 118.208 0.064 1 1246 137 137 GLU H H 7.995 0.009 1 1247 137 137 GLU HA H 4.011 0.003 1 1248 137 137 GLU HB2 H 1.97 0.002 1 1249 137 137 GLU HB3 H 1.879 0.002 1 1250 137 137 GLU HG2 H 2.503 0.002 1 1251 137 137 GLU HG3 H 2.062 0.002 1 1252 137 137 GLU C C 179.255 0.044 1 1253 137 137 GLU CA C 59.381 0.16 1 1254 137 137 GLU CB C 29.907 0.057 1 1255 137 137 GLU CG C 36.454 0.056 1 1256 137 137 GLU N N 119.139 0.086 1 1257 138 138 MET H H 8.521 0.008 1 1258 138 138 MET HA H 4.061 0.002 1 1259 138 138 MET HB2 H 2.15 0.002 1 1260 138 138 MET HB3 H 2.012 0.002 1 1261 138 138 MET HG2 H 2.746 0.003 1 1262 138 138 MET HG3 H 2.412 0.002 1 1263 138 138 MET HE H 1.621 0 1 1264 138 138 MET C C 178.832 0.02 1 1265 138 138 MET CA C 59.156 0.3 1 1266 138 138 MET CB C 33.093 0.046 1 1267 138 138 MET CG C 32.173 0 1 1268 138 138 MET N N 117.935 0.054 1 1269 139 139 MET H H 8.279 0.007 1 1270 139 139 MET HA H 4.182 0.005 1 1271 139 139 MET HB2 H 2.098 0.002 1 1272 139 139 MET HB3 H 1.991 0.002 1 1273 139 139 MET HG2 H 2.674 0.008 1 1274 139 139 MET HG3 H 2.553 0.003 1 1275 139 139 MET HE H 1.987 0 1 1276 139 139 MET C C 178.359 0.006 1 1277 139 139 MET CA C 57.702 0.155 1 1278 139 139 MET CB C 32.016 0.138 1 1279 139 139 MET CG C 30.831 0 1 1280 139 139 MET CE C 18.749 0 1 1281 139 139 MET N N 117.386 0.095 1 1282 140 140 ALA H H 7.597 0.009 1 1283 140 140 ALA HA H 4.118 0.002 1 1284 140 140 ALA HB H 1.447 0.002 1 1285 140 140 ALA C C 179.554 0.014 1 1286 140 140 ALA CA C 54.233 0.055 1 1287 140 140 ALA CB C 18.394 0.082 1 1288 140 140 ALA N N 121.202 0.072 1 1289 141 141 GLU H H 7.698 0.01 1 1290 141 141 GLU HA H 4.134 0.002 1 1291 141 141 GLU HB2 H 2.054 0.003 1 1292 141 141 GLU HB3 H 1.967 0.002 1 1293 141 141 GLU HG2 H 2.387 0.002 1 1294 141 141 GLU HG3 H 2.222 0.001 1 1295 141 141 GLU C C 177.423 0.012 1 1296 141 141 GLU CA C 57.303 0.076 1 1297 141 141 GLU CB C 30 0.04 1 1298 141 141 GLU CG C 36.317 0.005 1 1299 141 141 GLU N N 116.59 0.094 1 1300 142 142 MET H H 7.68 0.02 1 1301 142 142 MET HA H 4.363 0.004 1 1302 142 142 MET HB2 H 2.105 0.003 1 1303 142 142 MET HB3 H 2.031 0.002 1 1304 142 142 MET HG2 H 2.651 0.005 1 1305 142 142 MET HG3 H 2.565 0.002 1 1306 142 142 MET C C 176.327 0.36 1 1307 142 142 MET CA C 56.241 0.134 1 1308 142 142 MET CB C 33.169 0.022 1 1309 142 142 MET CG C 32.245 0 1 1310 142 142 MET N N 118.316 0.064 1 1311 143 143 LYS H H 8.001 0.353 1 1312 143 143 LYS HA H 4.261 0.027 1 1313 143 143 LYS HB2 H 1.838 0.003 1 1314 143 143 LYS HB3 H 1.743 0.004 1 1315 143 143 LYS HG2 H 1.387 0.011 2 1316 143 143 LYS HG3 H 1.387 0.011 2 1317 143 143 LYS HD2 H 1.617 0.005 2 1318 143 143 LYS HD3 H 1.617 0.005 2 1319 143 143 LYS HE2 H 2.931 0.003 2 1320 143 143 LYS HE3 H 2.931 0.003 2 1321 143 143 LYS C C 174.433 1.303 1 1322 143 143 LYS CA C 56.216 0.318 1 1323 143 143 LYS CB C 32.72 0.056 1 1324 143 143 LYS CG C 24.382 0.088 1 1325 143 143 LYS CD C 28.912 0.028 1 1326 143 143 LYS CE C 42.175 0.024 1 1327 143 143 LYS N N 121.648 0.722 1 1328 144 144 GLN H H 7.775 0.014 1 1329 144 144 GLN HA H 4.097 0.002 1 1330 144 144 GLN HB2 H 2.055 0.002 1 1331 144 144 GLN HB3 H 1.858 0.005 1 1332 144 144 GLN C C 180.768 0.182 1 1333 144 144 GLN CA C 57.336 0.158 1 1334 144 144 GLN CB C 30.454 0.07 1 1335 144 144 GLN N N 126.471 0.149 1 stop_ save_