data_34376 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The N-terminal domain of rhomboid protease YqgP ; _BMRB_accession_number 34376 _BMRB_flat_file_name bmr34376.str _Entry_type original _Submission_date 2019-03-13 _Accession_date 2019-03-13 _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 Began J. . . 2 Strisovsky K. . . 3 Veverka V. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1081 "13C chemical shifts" 773 "15N chemical shifts" 192 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-08-16 update BMRB 'update entry citation' 2020-01-06 original author 'original release' stop_ _Original_release_date 2020-01-02 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Rhomboid intramembrane protease YqgP licenses bacterial membrane protein quality control as adaptor of FtsH AAA protease ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31930742 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Began Jakub . . 2 Cordier Baptiste . . 3 Brezinova Jana . . 4 Delisle Jordan . . 5 Hexnerova Rozalie . . 6 Srb Pavel . . 7 Rampirova Petra . . 8 Kozisek Milan . . 9 Baudet Mathieu . . 10 Coute Yohann . . 11 Galinier Anne . . 12 Veverka Vaclav . . 13 Doan Thierry . . 14 Strisovsky Kvido . . stop_ _Journal_abbreviation 'Embo J.' _Journal_volume 39 _Journal_issue 10 _Journal_ASTM EMJODG _Journal_ISSN 1460-2075 _Journal_CSD 0897 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e102935 _Page_last e102935 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Rhomboid family serine protease' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _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 entity_1 _Molecular_mass 21836.576 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 185 _Mol_residue_sequence ; MFLLEYTYWKIAAHLVNSGY GVIQAGESDEIWLEAPDKSS HDLVRLYKHDLDFRQEMVRD IEEQAERVERVRHQLGRRRM KLLNVFFSTEAPVDDWEEIA KKTFEKGTVSVEPAIVRGTM LRDDLQAVFPSFRTEDCSEE HASFENAQMARERFLSLVLK QEEQRKTEAAVFQNGKLERE NLYFQ ; loop_ _Residue_seq_code _Residue_label 1 MET 2 PHE 3 LEU 4 LEU 5 GLU 6 TYR 7 THR 8 TYR 9 TRP 10 LYS 11 ILE 12 ALA 13 ALA 14 HIS 15 LEU 16 VAL 17 ASN 18 SER 19 GLY 20 TYR 21 GLY 22 VAL 23 ILE 24 GLN 25 ALA 26 GLY 27 GLU 28 SER 29 ASP 30 GLU 31 ILE 32 TRP 33 LEU 34 GLU 35 ALA 36 PRO 37 ASP 38 LYS 39 SER 40 SER 41 HIS 42 ASP 43 LEU 44 VAL 45 ARG 46 LEU 47 TYR 48 LYS 49 HIS 50 ASP 51 LEU 52 ASP 53 PHE 54 ARG 55 GLN 56 GLU 57 MET 58 VAL 59 ARG 60 ASP 61 ILE 62 GLU 63 GLU 64 GLN 65 ALA 66 GLU 67 ARG 68 VAL 69 GLU 70 ARG 71 VAL 72 ARG 73 HIS 74 GLN 75 LEU 76 GLY 77 ARG 78 ARG 79 ARG 80 MET 81 LYS 82 LEU 83 LEU 84 ASN 85 VAL 86 PHE 87 PHE 88 SER 89 THR 90 GLU 91 ALA 92 PRO 93 VAL 94 ASP 95 ASP 96 TRP 97 GLU 98 GLU 99 ILE 100 ALA 101 LYS 102 LYS 103 THR 104 PHE 105 GLU 106 LYS 107 GLY 108 THR 109 VAL 110 SER 111 VAL 112 GLU 113 PRO 114 ALA 115 ILE 116 VAL 117 ARG 118 GLY 119 THR 120 MET 121 LEU 122 ARG 123 ASP 124 ASP 125 LEU 126 GLN 127 ALA 128 VAL 129 PHE 130 PRO 131 SER 132 PHE 133 ARG 134 THR 135 GLU 136 ASP 137 CYS 138 SER 139 GLU 140 GLU 141 HIS 142 ALA 143 SER 144 PHE 145 GLU 146 ASN 147 ALA 148 GLN 149 MET 150 ALA 151 ARG 152 GLU 153 ARG 154 PHE 155 LEU 156 SER 157 LEU 158 VAL 159 LEU 160 LYS 161 GLN 162 GLU 163 GLU 164 GLN 165 ARG 166 LYS 167 THR 168 GLU 169 ALA 170 ALA 171 VAL 172 PHE 173 GLN 174 ASN 175 GLY 176 LYS 177 LEU 178 GLU 179 ARG 180 GLU 181 ASN 182 LEU 183 TYR 184 PHE 185 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 'Bacillus subtilis' 1423 Bacteria . Bacillus subtilis 'B4122_2383, B4122_4232, B4417_0943' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1 mM [U-13C; U-15N] YqgP, 150 mM sodium chloride, 25 mM sodium phosphate, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' 'sodium chloride' 150 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TopSpin _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name Sparky _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name YASARA _Version . loop_ _Vendor _Address _Electronic_address YASARA . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 850 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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 'ionic strength' 175 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . 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 DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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 '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' 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 entity_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 2 2 PHE HA H 4.886 0.006 . 2 2 2 PHE HB2 H 3.422 0.008 . 3 2 2 PHE HB3 H 2.960 0.000 . 4 2 2 PHE HD1 H 7.491 0.000 . 5 2 2 PHE HD2 H 7.491 0.000 . 6 2 2 PHE HE1 H 7.666 0.000 . 7 2 2 PHE HE2 H 7.666 0.000 . 8 2 2 PHE C C 176.683 0.006 . 9 2 2 PHE CA C 59.862 0.094 . 10 2 2 PHE CB C 38.696 0.053 . 11 2 2 PHE CD1 C 131.902 0.000 . 12 2 2 PHE CE1 C 132.078 0.000 . 13 3 3 LEU H H 8.791 0.005 . 14 3 3 LEU HA H 4.765 0.000 . 15 3 3 LEU HB2 H 1.915 0.000 . 16 3 3 LEU HB3 H 1.647 0.000 . 17 3 3 LEU HD1 H 1.017 0.000 . 18 3 3 LEU HD2 H 0.977 0.000 . 19 3 3 LEU C C 179.632 0.012 . 20 3 3 LEU CA C 58.504 0.024 . 21 3 3 LEU CB C 42.081 0.082 . 22 3 3 LEU CD1 C 26.119 0.000 . 23 3 3 LEU CD2 C 23.117 0.000 . 24 3 3 LEU N N 121.266 0.022 . 25 4 4 LEU H H 8.444 0.005 . 26 4 4 LEU HA H 4.116 0.000 . 27 4 4 LEU HB2 H 2.078 0.000 . 28 4 4 LEU HB3 H 1.625 0.000 . 29 4 4 LEU HD1 H 0.795 0.000 . 30 4 4 LEU HD2 H 0.919 0.000 . 31 4 4 LEU C C 177.520 0.002 . 32 4 4 LEU CA C 58.573 0.067 . 33 4 4 LEU CB C 42.184 0.067 . 34 4 4 LEU CD1 C 26.077 0.000 . 35 4 4 LEU CD2 C 24.472 0.000 . 36 4 4 LEU N N 122.785 0.015 . 37 5 5 GLU H H 8.027 0.008 . 38 5 5 GLU HA H 3.677 0.003 . 39 5 5 GLU HB2 H 2.425 0.005 . 40 5 5 GLU HB3 H 2.309 0.008 . 41 5 5 GLU HG2 H 2.622 0.000 . 42 5 5 GLU HG3 H 2.412 0.003 . 43 5 5 GLU C C 176.952 0.006 . 44 5 5 GLU CA C 60.300 0.038 . 45 5 5 GLU CB C 29.515 0.101 . 46 5 5 GLU CG C 36.901 0.020 . 47 5 5 GLU N N 119.256 0.027 . 48 6 6 TYR H H 8.729 0.006 . 49 6 6 TYR HA H 4.286 0.006 . 50 6 6 TYR HB2 H 3.386 0.012 . 51 6 6 TYR HB3 H 3.225 0.000 . 52 6 6 TYR HD1 H 7.082 0.007 . 53 6 6 TYR HD2 H 7.082 0.007 . 54 6 6 TYR HE1 H 6.952 0.000 . 55 6 6 TYR HE2 H 6.952 0.000 . 56 6 6 TYR C C 175.925 0.007 . 57 6 6 TYR CA C 62.318 0.011 . 58 6 6 TYR CB C 39.773 0.045 . 59 6 6 TYR CD1 C 133.183 0.037 . 60 6 6 TYR CE1 C 118.581 0.000 . 61 6 6 TYR N N 117.478 0.038 . 62 7 7 THR H H 8.303 0.007 . 63 7 7 THR HA H 3.547 0.000 . 64 7 7 THR HB H 4.395 0.000 . 65 7 7 THR HG2 H 1.372 0.005 . 66 7 7 THR C C 174.668 0.000 . 67 7 7 THR CA C 67.764 0.040 . 68 7 7 THR CB C 68.546 0.036 . 69 7 7 THR CG2 C 22.814 0.079 . 70 7 7 THR N N 113.405 0.044 . 71 8 8 TYR H H 8.135 0.004 . 72 8 8 TYR HA H 3.042 0.001 . 73 8 8 TYR HB2 H 2.746 0.000 . 74 8 8 TYR HB3 H 2.104 0.001 . 75 8 8 TYR HD1 H 6.664 0.000 . 76 8 8 TYR HD2 H 6.664 0.000 . 77 8 8 TYR HE1 H 7.102 0.000 . 78 8 8 TYR HE2 H 7.102 0.000 . 79 8 8 TYR C C 175.157 0.025 . 80 8 8 TYR CA C 61.546 0.019 . 81 8 8 TYR CB C 37.788 0.018 . 82 8 8 TYR CE1 C 120.114 0.000 . 83 8 8 TYR N N 123.258 0.024 . 84 9 9 TRP H H 7.197 0.006 . 85 9 9 TRP HA H 4.010 0.002 . 86 9 9 TRP HB2 H 3.109 0.000 . 87 9 9 TRP HB3 H 2.980 0.000 . 88 9 9 TRP HD1 H 7.442 0.000 . 89 9 9 TRP HE1 H 11.091 0.000 . 90 9 9 TRP HE3 H 7.102 0.000 . 91 9 9 TRP HZ2 H 7.756 0.000 . 92 9 9 TRP HZ3 H 7.139 0.000 . 93 9 9 TRP HH2 H 7.556 0.000 . 94 9 9 TRP C C 180.724 0.012 . 95 9 9 TRP CA C 58.790 0.074 . 96 9 9 TRP CB C 30.074 0.000 . 97 9 9 TRP CD1 C 129.898 0.000 . 98 9 9 TRP CE3 C 119.522 0.000 . 99 9 9 TRP CZ2 C 114.851 0.000 . 100 9 9 TRP CZ3 C 122.919 0.000 . 101 9 9 TRP CH2 C 124.990 0.000 . 102 9 9 TRP N N 115.688 0.026 . 103 9 9 TRP NE1 N 129.825 0.000 . 104 10 10 LYS H H 8.282 0.004 . 105 10 10 LYS HA H 4.109 0.007 . 106 10 10 LYS HG2 H 1.217 0.000 . 107 10 10 LYS HG3 H 1.217 0.000 . 108 10 10 LYS C C 180.165 0.002 . 109 10 10 LYS CA C 58.476 0.057 . 110 10 10 LYS CB C 31.089 0.051 . 111 10 10 LYS CG C 24.012 0.000 . 112 10 10 LYS N N 121.685 0.015 . 113 11 11 ILE H H 8.915 0.008 . 114 11 11 ILE HA H 3.331 0.003 . 115 11 11 ILE HB H 1.454 0.004 . 116 11 11 ILE HG12 H 0.594 0.015 . 117 11 11 ILE HG13 H 0.404 0.000 . 118 11 11 ILE HG2 H 0.104 0.000 . 119 11 11 ILE HD1 H -0.129 0.008 . 120 11 11 ILE C C 176.897 0.020 . 121 11 11 ILE CA C 61.709 0.032 . 122 11 11 ILE CB C 34.886 0.080 . 123 11 11 ILE CG1 C 28.162 0.045 . 124 11 11 ILE CG2 C 17.333 0.029 . 125 11 11 ILE CD1 C 11.555 0.055 . 126 11 11 ILE N N 124.108 0.017 . 127 12 12 ALA H H 7.301 0.005 . 128 12 12 ALA HA H 3.325 0.007 . 129 12 12 ALA HB H 0.399 0.000 . 130 12 12 ALA C C 178.672 0.006 . 131 12 12 ALA CA C 56.014 0.061 . 132 12 12 ALA CB C 17.438 0.034 . 133 12 12 ALA N N 123.725 0.021 . 134 13 13 ALA H H 7.495 0.005 . 135 13 13 ALA HA H 4.192 0.000 . 136 13 13 ALA HB H 1.700 0.007 . 137 13 13 ALA C C 178.335 0.005 . 138 13 13 ALA CA C 55.516 0.065 . 139 13 13 ALA CB C 18.810 0.103 . 140 13 13 ALA N N 116.869 0.039 . 141 14 14 HIS H H 8.236 0.004 . 142 14 14 HIS HA H 4.514 0.007 . 143 14 14 HIS HB2 H 3.453 0.000 . 144 14 14 HIS HB3 H 3.379 0.000 . 145 14 14 HIS HD2 H 6.422 0.003 . 146 14 14 HIS HE1 H 8.867 0.000 . 147 14 14 HIS C C 178.698 0.021 . 148 14 14 HIS CA C 59.718 0.019 . 149 14 14 HIS CB C 30.577 0.047 . 150 14 14 HIS CD2 C 120.532 0.226 . 151 14 14 HIS N N 119.397 0.077 . 152 15 15 LEU H H 8.424 0.006 . 153 15 15 LEU HA H 3.644 0.005 . 154 15 15 LEU HB2 H 1.600 0.007 . 155 15 15 LEU HB3 H 0.512 0.003 . 156 15 15 LEU HG H 1.466 0.000 . 157 15 15 LEU HD1 H 0.239 0.000 . 158 15 15 LEU HD2 H 0.199 0.002 . 159 15 15 LEU C C 180.291 0.001 . 160 15 15 LEU CA C 58.005 0.026 . 161 15 15 LEU CB C 39.504 0.044 . 162 15 15 LEU CG C 26.362 0.000 . 163 15 15 LEU CD1 C 26.247 0.000 . 164 15 15 LEU CD2 C 20.729 0.000 . 165 15 15 LEU N N 120.188 0.017 . 166 16 16 VAL H H 8.086 0.004 . 167 16 16 VAL HA H 4.525 0.000 . 168 16 16 VAL HB H 2.328 0.002 . 169 16 16 VAL HG1 H 1.219 0.000 . 170 16 16 VAL HG2 H 1.094 0.000 . 171 16 16 VAL C C 180.157 0.005 . 172 16 16 VAL CA C 66.629 0.030 . 173 16 16 VAL CB C 31.545 0.030 . 174 16 16 VAL CG1 C 24.337 0.041 . 175 16 16 VAL CG2 C 21.862 0.000 . 176 16 16 VAL N N 123.483 0.017 . 177 17 17 ASN H H 8.800 0.003 . 178 17 17 ASN HA H 4.738 0.000 . 179 17 17 ASN HB2 H 3.008 0.003 . 180 17 17 ASN HB3 H 3.008 0.003 . 181 17 17 ASN HD21 H 7.631 0.000 . 182 17 17 ASN HD22 H 6.692 0.000 . 183 17 17 ASN C C 176.555 0.001 . 184 17 17 ASN CA C 55.657 0.012 . 185 17 17 ASN CB C 38.566 0.020 . 186 17 17 ASN N N 119.513 0.026 . 187 17 17 ASN ND2 N 111.388 0.003 . 188 18 18 SER H H 7.781 0.002 . 189 18 18 SER HA H 4.754 0.000 . 190 18 18 SER HB2 H 4.160 0.000 . 191 18 18 SER HB3 H 4.160 0.000 . 192 18 18 SER C C 173.825 0.012 . 193 18 18 SER CA C 58.450 0.001 . 194 18 18 SER CB C 63.454 0.014 . 195 18 18 SER N N 114.455 0.012 . 196 19 19 GLY H H 7.971 0.002 . 197 19 19 GLY HA2 H 4.522 0.000 . 198 19 19 GLY HA3 H 3.870 0.001 . 199 19 19 GLY C C 174.903 0.003 . 200 19 19 GLY CA C 45.279 0.037 . 201 19 19 GLY N N 106.991 0.014 . 202 20 20 TYR H H 8.472 0.002 . 203 20 20 TYR HA H 4.765 0.000 . 204 20 20 TYR HB2 H 2.715 0.001 . 205 20 20 TYR HB3 H 2.715 0.001 . 206 20 20 TYR HD1 H 7.127 0.003 . 207 20 20 TYR HD2 H 7.127 0.003 . 208 20 20 TYR HE1 H 6.941 0.000 . 209 20 20 TYR HE2 H 6.941 0.000 . 210 20 20 TYR C C 175.904 0.012 . 211 20 20 TYR CA C 58.482 0.027 . 212 20 20 TYR CB C 38.296 0.069 . 213 20 20 TYR CD1 C 133.553 0.072 . 214 20 20 TYR CE1 C 118.167 0.000 . 215 20 20 TYR N N 121.605 0.011 . 216 21 21 GLY H H 8.984 0.004 . 217 21 21 GLY HA2 H 4.653 0.000 . 218 21 21 GLY HA3 H 3.910 0.004 . 219 21 21 GLY C C 174.272 0.012 . 220 21 21 GLY CA C 44.160 0.073 . 221 21 21 GLY N N 108.851 0.029 . 222 22 22 VAL H H 9.248 0.005 . 223 22 22 VAL HA H 4.351 0.000 . 224 22 22 VAL HB H 2.226 0.000 . 225 22 22 VAL HG1 H 1.130 0.000 . 226 22 22 VAL HG2 H 1.080 0.000 . 227 22 22 VAL C C 176.278 0.010 . 228 22 22 VAL CA C 64.202 0.039 . 229 22 22 VAL CB C 32.116 0.056 . 230 22 22 VAL CG1 C 23.313 0.000 . 231 22 22 VAL CG2 C 22.087 0.000 . 232 22 22 VAL N N 124.478 0.006 . 233 23 23 ILE H H 8.875 0.004 . 234 23 23 ILE HA H 4.346 0.004 . 235 23 23 ILE HB H 1.812 0.000 . 236 23 23 ILE HG12 H 1.643 0.000 . 237 23 23 ILE HG13 H 1.153 0.000 . 238 23 23 ILE HG2 H 0.843 0.000 . 239 23 23 ILE HD1 H 0.895 0.000 . 240 23 23 ILE C C 175.939 0.018 . 241 23 23 ILE CA C 62.178 0.009 . 242 23 23 ILE CB C 39.237 0.016 . 243 23 23 ILE CG1 C 27.745 0.001 . 244 23 23 ILE CG2 C 17.382 0.000 . 245 23 23 ILE CD1 C 14.137 0.000 . 246 23 23 ILE N N 128.150 0.038 . 247 24 24 GLN H H 8.009 0.007 . 248 24 24 GLN HA H 4.751 0.000 . 249 24 24 GLN HB2 H 2.158 0.000 . 250 24 24 GLN HB3 H 2.158 0.000 . 251 24 24 GLN HG2 H 2.424 0.000 . 252 24 24 GLN HG3 H 2.424 0.000 . 253 24 24 GLN HE22 H 6.818 0.000 . 254 24 24 GLN C C 174.031 0.008 . 255 24 24 GLN CA C 56.453 0.019 . 256 24 24 GLN CB C 32.001 0.032 . 257 24 24 GLN CG C 34.105 0.024 . 258 24 24 GLN N N 119.138 0.043 . 259 24 24 GLN NE2 N 111.189 0.000 . 260 25 25 ALA H H 8.921 0.005 . 261 25 25 ALA HA H 4.959 0.000 . 262 25 25 ALA HB H 1.650 0.000 . 263 25 25 ALA C C 176.381 0.002 . 264 25 25 ALA CA C 52.334 0.046 . 265 25 25 ALA CB C 21.389 0.013 . 266 25 25 ALA N N 127.846 0.015 . 267 26 26 GLY H H 8.690 0.002 . 268 26 26 GLY HA2 H 4.417 0.000 . 269 26 26 GLY HA3 H 4.139 0.000 . 270 26 26 GLY C C 174.492 0.008 . 271 26 26 GLY CA C 46.026 0.050 . 272 26 26 GLY N N 108.180 0.006 . 273 27 27 GLU H H 8.948 0.002 . 274 27 27 GLU HA H 4.699 0.000 . 275 27 27 GLU HB2 H 2.405 0.000 . 276 27 27 GLU HB3 H 2.196 0.000 . 277 27 27 GLU HG2 H 2.512 0.000 . 278 27 27 GLU HG3 H 2.439 0.000 . 279 27 27 GLU C C 177.028 0.003 . 280 27 27 GLU CA C 56.622 0.066 . 281 27 27 GLU CB C 30.380 0.008 . 282 27 27 GLU CG C 36.499 0.028 . 283 27 27 GLU N N 121.578 0.006 . 284 28 28 SER H H 8.712 0.005 . 285 28 28 SER HA H 4.688 0.000 . 286 28 28 SER HB2 H 4.193 0.000 . 287 28 28 SER HB3 H 4.147 0.000 . 288 28 28 SER C C 174.626 0.003 . 289 28 28 SER CA C 59.337 0.005 . 290 28 28 SER CB C 63.896 0.002 . 291 28 28 SER N N 115.242 0.025 . 292 29 29 ASP H H 8.503 0.003 . 293 29 29 ASP HA H 4.757 0.000 . 294 29 29 ASP HB2 H 3.322 0.013 . 295 29 29 ASP HB3 H 3.224 0.000 . 296 29 29 ASP C C 174.056 0.022 . 297 29 29 ASP CA C 55.008 0.033 . 298 29 29 ASP CB C 41.046 0.046 . 299 29 29 ASP N N 117.462 0.025 . 300 30 30 GLU H H 7.692 0.003 . 301 30 30 GLU HA H 5.764 0.005 . 302 30 30 GLU HB2 H 2.021 0.000 . 303 30 30 GLU HB3 H 1.864 0.000 . 304 30 30 GLU HG2 H 2.465 0.000 . 305 30 30 GLU HG3 H 2.327 0.000 . 306 30 30 GLU C C 174.967 0.009 . 307 30 30 GLU CA C 54.403 0.007 . 308 30 30 GLU CB C 33.663 0.029 . 309 30 30 GLU CG C 35.423 0.000 . 310 30 30 GLU N N 114.656 0.050 . 311 31 31 ILE H H 8.200 0.004 . 312 31 31 ILE HA H 4.798 0.000 . 313 31 31 ILE HB H 1.387 0.006 . 314 31 31 ILE HG12 H 1.780 0.001 . 315 31 31 ILE HG13 H 1.087 0.001 . 316 31 31 ILE HG2 H 1.020 0.000 . 317 31 31 ILE HD1 H 0.173 0.004 . 318 31 31 ILE C C 175.178 0.006 . 319 31 31 ILE CA C 60.672 0.011 . 320 31 31 ILE CB C 43.233 0.019 . 321 31 31 ILE CG1 C 27.675 0.014 . 322 31 31 ILE CG2 C 17.716 0.000 . 323 31 31 ILE CD1 C 15.351 0.010 . 324 31 31 ILE N N 122.845 0.015 . 325 32 32 TRP H H 9.241 0.005 . 326 32 32 TRP HA H 5.439 0.004 . 327 32 32 TRP HB2 H 3.162 0.000 . 328 32 32 TRP HB3 H 3.094 0.000 . 329 32 32 TRP HD1 H 7.039 0.000 . 330 32 32 TRP HE1 H 9.800 0.000 . 331 32 32 TRP HE3 H 7.296 0.002 . 332 32 32 TRP HZ2 H 7.751 0.004 . 333 32 32 TRP HZ3 H 6.894 0.001 . 334 32 32 TRP HH2 H 7.042 0.003 . 335 32 32 TRP C C 176.064 0.009 . 336 32 32 TRP CA C 56.600 0.036 . 337 32 32 TRP CB C 31.887 0.034 . 338 32 32 TRP CD1 C 124.954 0.000 . 339 32 32 TRP CE3 C 118.417 0.000 . 340 32 32 TRP CZ2 C 115.788 0.000 . 341 32 32 TRP CZ3 C 121.891 0.010 . 342 32 32 TRP CH2 C 123.765 0.026 . 343 32 32 TRP N N 125.925 0.009 . 344 32 32 TRP NE1 N 128.909 0.000 . 345 33 33 LEU H H 9.905 0.009 . 346 33 33 LEU HA H 5.763 0.007 . 347 33 33 LEU HB2 H 1.903 0.000 . 348 33 33 LEU HB3 H 1.846 0.000 . 349 33 33 LEU HG H 1.654 0.000 . 350 33 33 LEU HD1 H 0.702 0.000 . 351 33 33 LEU HD2 H 0.928 0.000 . 352 33 33 LEU C C 175.185 0.017 . 353 33 33 LEU CA C 53.830 0.030 . 354 33 33 LEU CB C 46.559 0.019 . 355 33 33 LEU CG C 27.735 0.000 . 356 33 33 LEU CD1 C 27.724 0.000 . 357 33 33 LEU CD2 C 26.443 0.000 . 358 33 33 LEU N N 122.341 0.032 . 359 34 34 GLU H H 9.935 0.003 . 360 34 34 GLU HA H 4.947 0.001 . 361 34 34 GLU HB2 H 2.151 0.002 . 362 34 34 GLU HB3 H 2.022 0.000 . 363 34 34 GLU HG2 H 2.410 0.000 . 364 34 34 GLU HG3 H 2.410 0.000 . 365 34 34 GLU C C 175.444 0.002 . 366 34 34 GLU CA C 55.219 0.006 . 367 34 34 GLU CB C 32.026 0.035 . 368 34 34 GLU CG C 36.296 0.000 . 369 34 34 GLU N N 123.080 0.019 . 370 35 35 ALA H H 8.023 0.004 . 371 35 35 ALA HA H 3.951 0.000 . 372 35 35 ALA HB H 1.406 0.000 . 373 35 35 ALA CA C 50.622 0.040 . 374 35 35 ALA CB C 19.445 0.051 . 375 35 35 ALA N N 129.269 0.025 . 376 36 36 PRO HA H 4.543 0.002 . 377 36 36 PRO HB2 H 1.943 0.000 . 378 36 36 PRO HB3 H 2.313 0.000 . 379 36 36 PRO HG2 H 1.819 0.000 . 380 36 36 PRO HG3 H 1.725 0.000 . 381 36 36 PRO HD2 H 2.769 0.000 . 382 36 36 PRO HD3 H 2.272 0.000 . 383 36 36 PRO C C 176.652 0.000 . 384 36 36 PRO CA C 62.470 0.000 . 385 36 36 PRO CB C 32.127 0.013 . 386 36 36 PRO CG C 26.841 0.011 . 387 36 36 PRO CD C 49.276 0.000 . 388 37 37 ASP H H 8.309 0.003 . 389 37 37 ASP HA H 4.533 0.000 . 390 37 37 ASP HB2 H 2.786 0.000 . 391 37 37 ASP HB3 H 2.680 0.000 . 392 37 37 ASP C C 176.325 0.001 . 393 37 37 ASP CA C 55.675 0.012 . 394 37 37 ASP CB C 41.462 0.040 . 395 37 37 ASP N N 120.751 0.017 . 396 38 38 LYS H H 8.418 0.007 . 397 38 38 LYS HA H 4.206 0.000 . 398 38 38 LYS HB2 H 2.064 0.000 . 399 38 38 LYS HB3 H 2.064 0.000 . 400 38 38 LYS HG2 H 1.465 0.004 . 401 38 38 LYS HG3 H 1.465 0.004 . 402 38 38 LYS HD2 H 3.113 0.000 . 403 38 38 LYS HD3 H 3.113 0.000 . 404 38 38 LYS C C 176.708 0.003 . 405 38 38 LYS CA C 57.294 0.002 . 406 38 38 LYS CB C 29.983 0.045 . 407 38 38 LYS CG C 25.325 0.054 . 408 38 38 LYS N N 116.972 0.024 . 409 39 39 SER H H 7.886 0.006 . 410 39 39 SER HA H 4.351 0.000 . 411 39 39 SER HB2 H 4.336 0.000 . 412 39 39 SER HB3 H 4.106 0.000 . 413 39 39 SER C C 174.701 0.000 . 414 39 39 SER CA C 57.071 0.060 . 415 39 39 SER CB C 65.996 0.106 . 416 39 39 SER N N 115.076 0.019 . 417 40 40 SER HA H 4.295 0.002 . 418 40 40 SER HB2 H 3.919 0.001 . 419 40 40 SER HB3 H 3.856 0.000 . 420 40 40 SER C C 173.105 0.000 . 421 40 40 SER CA C 60.067 0.049 . 422 40 40 SER CB C 63.374 0.030 . 423 41 41 HIS H H 7.272 0.002 . 424 41 41 HIS HA H 4.598 0.000 . 425 41 41 HIS HB2 H 2.971 0.000 . 426 41 41 HIS HB3 H 3.334 0.000 . 427 41 41 HIS HD2 H 6.668 0.000 . 428 41 41 HIS HE1 H 7.929 0.000 . 429 41 41 HIS C C 173.056 0.005 . 430 41 41 HIS CA C 55.475 0.019 . 431 41 41 HIS CB C 31.797 0.036 . 432 41 41 HIS CD2 C 120.970 0.000 . 433 41 41 HIS CE1 C 138.388 0.000 . 434 41 41 HIS N N 115.854 0.012 . 435 42 42 ASP H H 8.759 0.005 . 436 42 42 ASP HA H 4.969 0.000 . 437 42 42 ASP HB2 H 2.982 0.000 . 438 42 42 ASP HB3 H 2.848 0.000 . 439 42 42 ASP C C 176.909 0.029 . 440 42 42 ASP CA C 56.952 0.033 . 441 42 42 ASP CB C 45.106 0.036 . 442 42 42 ASP N N 117.744 0.027 . 443 43 43 LEU H H 8.283 0.006 . 444 43 43 LEU HA H 5.700 0.003 . 445 43 43 LEU HB2 H 1.885 0.000 . 446 43 43 LEU HB3 H 1.758 0.000 . 447 43 43 LEU HG H 1.765 0.000 . 448 43 43 LEU HD1 H 1.227 0.002 . 449 43 43 LEU HD2 H 1.249 0.000 . 450 43 43 LEU C C 174.912 0.003 . 451 43 43 LEU CA C 52.942 0.022 . 452 43 43 LEU CB C 49.438 0.044 . 453 43 43 LEU CG C 27.595 0.000 . 454 43 43 LEU CD1 C 27.738 0.017 . 455 43 43 LEU CD2 C 24.141 0.000 . 456 43 43 LEU N N 117.675 0.026 . 457 44 44 VAL H H 9.344 0.004 . 458 44 44 VAL HA H 4.999 0.003 . 459 44 44 VAL HB H 1.895 0.003 . 460 44 44 VAL HG1 H 1.125 0.000 . 461 44 44 VAL HG2 H 0.860 0.000 . 462 44 44 VAL C C 172.745 0.009 . 463 44 44 VAL CA C 60.752 0.032 . 464 44 44 VAL CB C 36.429 0.047 . 465 44 44 VAL CG1 C 23.360 0.019 . 466 44 44 VAL CG2 C 21.667 0.054 . 467 44 44 VAL N N 121.260 0.009 . 468 45 45 ARG H H 8.779 0.007 . 469 45 45 ARG HA H 4.915 0.000 . 470 45 45 ARG HB2 H 1.341 0.013 . 471 45 45 ARG HB3 H -0.020 0.000 . 472 45 45 ARG C C 173.739 0.011 . 473 45 45 ARG CA C 53.150 0.022 . 474 45 45 ARG CB C 32.530 0.083 . 475 45 45 ARG N N 127.652 0.014 . 476 46 46 LEU H H 8.828 0.007 . 477 46 46 LEU HA H 5.041 0.000 . 478 46 46 LEU HB2 H 1.649 0.002 . 479 46 46 LEU HB3 H 1.069 0.000 . 480 46 46 LEU HG H 1.381 0.000 . 481 46 46 LEU HD1 H 0.694 0.000 . 482 46 46 LEU HD2 H 0.215 0.005 . 483 46 46 LEU C C 176.149 0.036 . 484 46 46 LEU CA C 52.697 0.113 . 485 46 46 LEU CB C 41.686 0.050 . 486 46 46 LEU CG C 26.357 0.000 . 487 46 46 LEU CD1 C 22.974 0.000 . 488 46 46 LEU CD2 C 25.188 0.006 . 489 46 46 LEU N N 124.459 0.025 . 490 47 47 TYR H H 9.662 0.004 . 491 47 47 TYR HA H 5.801 0.000 . 492 47 47 TYR HB2 H 2.867 0.001 . 493 47 47 TYR HB3 H 2.461 0.000 . 494 47 47 TYR HD1 H 7.096 0.009 . 495 47 47 TYR HD2 H 7.096 0.009 . 496 47 47 TYR HE1 H 6.644 0.000 . 497 47 47 TYR HE2 H 6.644 0.000 . 498 47 47 TYR C C 173.228 0.000 . 499 47 47 TYR CA C 53.968 0.058 . 500 47 47 TYR CB C 39.855 0.025 . 501 47 47 TYR CD1 C 132.477 0.000 . 502 47 47 TYR CE1 C 117.907 0.000 . 503 47 47 TYR N N 129.303 0.030 . 504 48 48 LYS H H 8.881 0.004 . 505 48 48 LYS HA H 4.616 0.000 . 506 48 48 LYS HB2 H 1.392 0.001 . 507 48 48 LYS HB3 H 0.227 0.000 . 508 48 48 LYS HG2 H 0.949 0.000 . 509 48 48 LYS HG3 H 0.825 0.000 . 510 48 48 LYS HD2 H 1.221 0.002 . 511 48 48 LYS HD3 H 0.353 0.000 . 512 48 48 LYS HE2 H 2.538 0.000 . 513 48 48 LYS HE3 H 2.513 0.000 . 514 48 48 LYS C C 173.132 0.005 . 515 48 48 LYS CA C 55.069 0.010 . 516 48 48 LYS CB C 30.436 0.041 . 517 48 48 LYS CD C 28.234 0.003 . 518 48 48 LYS CE C 40.488 0.045 . 519 48 48 LYS N N 132.237 0.018 . 520 49 49 HIS H H 7.841 0.002 . 521 49 49 HIS HA H 4.209 0.000 . 522 49 49 HIS HB2 H 2.141 0.000 . 523 49 49 HIS HB3 H 1.962 0.000 . 524 49 49 HIS HD2 H 6.704 0.000 . 525 49 49 HIS C C 171.954 0.005 . 526 49 49 HIS CA C 55.804 0.017 . 527 49 49 HIS CB C 30.117 0.042 . 528 49 49 HIS CD2 C 119.619 0.000 . 529 49 49 HIS N N 126.490 0.014 . 530 50 50 ASP H H 8.144 0.001 . 531 50 50 ASP HA H 4.861 0.000 . 532 50 50 ASP HB2 H 2.744 0.000 . 533 50 50 ASP HB3 H 2.365 0.001 . 534 50 50 ASP C C 175.195 0.008 . 535 50 50 ASP CA C 54.572 0.009 . 536 50 50 ASP CB C 39.807 0.044 . 537 50 50 ASP N N 126.998 0.016 . 538 51 51 LEU H H 8.564 0.004 . 539 51 51 LEU HA H 4.324 0.003 . 540 51 51 LEU HB2 H 1.499 0.000 . 541 51 51 LEU HB3 H 0.997 0.000 . 542 51 51 LEU HG H 1.751 0.000 . 543 51 51 LEU HD1 H 0.477 0.004 . 544 51 51 LEU HD2 H 0.768 0.000 . 545 51 51 LEU C C 175.246 0.026 . 546 51 51 LEU CA C 53.775 0.022 . 547 51 51 LEU CB C 44.955 0.047 . 548 51 51 LEU CG C 25.849 0.000 . 549 51 51 LEU CD1 C 25.659 0.000 . 550 51 51 LEU CD2 C 23.556 0.000 . 551 51 51 LEU N N 125.210 0.012 . 552 52 52 ASP H H 9.077 0.003 . 553 52 52 ASP HA H 4.596 0.000 . 554 52 52 ASP HB2 H 2.467 0.001 . 555 52 52 ASP HB3 H 2.066 0.003 . 556 52 52 ASP C C 175.341 0.131 . 557 52 52 ASP CA C 55.911 0.034 . 558 52 52 ASP CB C 42.903 0.044 . 559 52 52 ASP N N 120.627 0.030 . 560 53 53 PHE H H 8.202 0.003 . 561 53 53 PHE HA H 5.321 0.000 . 562 53 53 PHE HB2 H 3.916 0.000 . 563 53 53 PHE HB3 H 2.810 0.000 . 564 53 53 PHE HD1 H 7.392 0.000 . 565 53 53 PHE HD2 H 7.392 0.000 . 566 53 53 PHE HE1 H 7.410 0.000 . 567 53 53 PHE HE2 H 7.410 0.000 . 568 53 53 PHE C C 177.453 0.000 . 569 53 53 PHE CA C 56.686 0.040 . 570 53 53 PHE CB C 43.438 0.040 . 571 53 53 PHE CD1 C 132.658 0.000 . 572 53 53 PHE CE1 C 131.540 0.000 . 573 53 53 PHE N N 115.734 0.008 . 574 54 54 ARG HA H 4.009 0.000 . 575 54 54 ARG HB2 H 2.035 0.000 . 576 54 54 ARG HB3 H 1.969 0.000 . 577 54 54 ARG HG2 H 1.972 0.005 . 578 54 54 ARG HG3 H 1.664 0.000 . 579 54 54 ARG HD2 H 3.207 0.000 . 580 54 54 ARG HD3 H 3.182 0.000 . 581 54 54 ARG C C 178.537 0.016 . 582 54 54 ARG CA C 59.955 0.005 . 583 54 54 ARG CB C 29.482 0.030 . 584 54 54 ARG CG C 26.861 0.004 . 585 54 54 ARG CD C 44.287 0.007 . 586 55 55 GLN H H 9.471 0.005 . 587 55 55 GLN HA H 4.202 0.000 . 588 55 55 GLN HB2 H 2.315 0.000 . 589 55 55 GLN HB3 H 2.095 0.000 . 590 55 55 GLN HG2 H 2.563 0.000 . 591 55 55 GLN HG3 H 2.563 0.000 . 592 55 55 GLN HE21 H 7.469 0.000 . 593 55 55 GLN HE22 H 6.924 0.000 . 594 55 55 GLN C C 177.774 0.006 . 595 55 55 GLN CA C 58.617 0.025 . 596 55 55 GLN CB C 27.930 0.067 . 597 55 55 GLN CG C 33.462 0.000 . 598 55 55 GLN N N 119.988 0.027 . 599 55 55 GLN NE2 N 111.124 0.014 . 600 56 56 GLU H H 7.845 0.003 . 601 56 56 GLU HA H 4.227 0.000 . 602 56 56 GLU HB2 H 2.578 0.004 . 603 56 56 GLU HB3 H 2.269 0.000 . 604 56 56 GLU HG2 H 2.619 0.000 . 605 56 56 GLU HG3 H 2.573 0.000 . 606 56 56 GLU C C 180.049 0.025 . 607 56 56 GLU CA C 59.059 0.119 . 608 56 56 GLU CB C 30.805 0.061 . 609 56 56 GLU CG C 37.648 0.012 . 610 56 56 GLU N N 117.548 0.015 . 611 57 57 MET H H 7.448 0.004 . 612 57 57 MET HA H 4.017 0.004 . 613 57 57 MET HB2 H 2.160 0.000 . 614 57 57 MET HB3 H 2.160 0.000 . 615 57 57 MET HG2 H 2.163 0.000 . 616 57 57 MET HG3 H 1.766 0.000 . 617 57 57 MET HE H 1.791 0.000 . 618 57 57 MET C C 177.161 0.006 . 619 57 57 MET CA C 59.182 0.043 . 620 57 57 MET CB C 34.001 0.049 . 621 57 57 MET CG C 32.507 0.068 . 622 57 57 MET CE C 16.687 0.000 . 623 57 57 MET N N 118.036 0.019 . 624 58 58 VAL H H 7.807 0.003 . 625 58 58 VAL HA H 3.507 0.000 . 626 58 58 VAL HB H 2.186 0.000 . 627 58 58 VAL HG1 H 1.192 0.001 . 628 58 58 VAL HG2 H 1.048 0.000 . 629 58 58 VAL C C 177.584 0.005 . 630 58 58 VAL CA C 67.134 0.029 . 631 58 58 VAL CB C 32.180 0.045 . 632 58 58 VAL CG1 C 23.123 0.011 . 633 58 58 VAL CG2 C 21.156 0.000 . 634 58 58 VAL N N 118.577 0.021 . 635 59 59 ARG H H 8.227 0.004 . 636 59 59 ARG HA H 4.179 0.000 . 637 59 59 ARG HB2 H 2.046 0.000 . 638 59 59 ARG HB3 H 1.982 0.000 . 639 59 59 ARG HG2 H 1.889 0.000 . 640 59 59 ARG HG3 H 1.788 0.000 . 641 59 59 ARG C C 178.759 0.003 . 642 59 59 ARG CA C 59.227 0.003 . 643 59 59 ARG CB C 30.048 0.023 . 644 59 59 ARG CG C 27.152 0.017 . 645 59 59 ARG N N 117.853 0.019 . 646 60 60 ASP H H 7.562 0.004 . 647 60 60 ASP HA H 4.454 0.000 . 648 60 60 ASP HB2 H 3.060 0.000 . 649 60 60 ASP HB3 H 2.913 0.003 . 650 60 60 ASP C C 178.470 0.008 . 651 60 60 ASP CA C 58.949 0.030 . 652 60 60 ASP CB C 43.587 0.026 . 653 60 60 ASP N N 118.434 0.008 . 654 61 61 ILE H H 8.437 0.003 . 655 61 61 ILE HA H 3.346 0.000 . 656 61 61 ILE HB H 1.936 0.000 . 657 61 61 ILE HG12 H 2.257 0.000 . 658 61 61 ILE HG13 H 0.917 0.000 . 659 61 61 ILE HG2 H 0.663 0.000 . 660 61 61 ILE HD1 H 1.000 0.000 . 661 61 61 ILE C C 177.217 0.007 . 662 61 61 ILE CA C 66.875 0.081 . 663 61 61 ILE CB C 38.374 0.058 . 664 61 61 ILE CG1 C 31.242 0.008 . 665 61 61 ILE CG2 C 17.170 0.000 . 666 61 61 ILE CD1 C 15.013 0.000 . 667 61 61 ILE N N 119.171 0.026 . 668 62 62 GLU H H 8.039 0.004 . 669 62 62 GLU HA H 3.694 0.003 . 670 62 62 GLU HB2 H 2.156 0.000 . 671 62 62 GLU HB3 H 2.047 0.000 . 672 62 62 GLU HG2 H 2.463 0.000 . 673 62 62 GLU HG3 H 2.007 0.000 . 674 62 62 GLU C C 180.074 0.001 . 675 62 62 GLU CA C 60.053 0.056 . 676 62 62 GLU CB C 29.429 0.020 . 677 62 62 GLU CG C 36.757 0.000 . 678 62 62 GLU N N 117.710 0.021 . 679 63 63 GLU H H 8.207 0.002 . 680 63 63 GLU HA H 4.182 0.000 . 681 63 63 GLU HB2 H 2.279 0.000 . 682 63 63 GLU HB3 H 2.137 0.000 . 683 63 63 GLU HG2 H 2.445 0.000 . 684 63 63 GLU HG3 H 2.278 0.000 . 685 63 63 GLU C C 180.105 0.012 . 686 63 63 GLU CA C 59.562 0.058 . 687 63 63 GLU CB C 29.207 0.037 . 688 63 63 GLU CG C 36.468 0.048 . 689 63 63 GLU N N 120.352 0.007 . 690 64 64 GLN H H 8.804 0.002 . 691 64 64 GLN HA H 4.472 0.000 . 692 64 64 GLN HB2 H 2.100 0.002 . 693 64 64 GLN HB3 H 1.842 0.000 . 694 64 64 GLN HG2 H 2.833 0.000 . 695 64 64 GLN HG3 H 1.974 0.000 . 696 64 64 GLN HE21 H 6.974 0.000 . 697 64 64 GLN HE22 H 6.693 0.000 . 698 64 64 GLN C C 179.133 0.022 . 699 64 64 GLN CA C 56.868 0.011 . 700 64 64 GLN CB C 26.332 0.041 . 701 64 64 GLN CG C 31.864 0.000 . 702 64 64 GLN N N 118.419 0.009 . 703 64 64 GLN NE2 N 115.055 0.002 . 704 65 65 ALA H H 8.375 0.004 . 705 65 65 ALA HA H 3.945 0.000 . 706 65 65 ALA HB H 1.693 0.000 . 707 65 65 ALA C C 179.650 0.005 . 708 65 65 ALA CA C 55.770 0.023 . 709 65 65 ALA CB C 18.021 0.033 . 710 65 65 ALA N N 120.948 0.012 . 711 66 66 GLU H H 7.426 0.002 . 712 66 66 GLU HA H 4.187 0.000 . 713 66 66 GLU HB2 H 1.687 0.000 . 714 66 66 GLU HB3 H 2.287 0.000 . 715 66 66 GLU HG2 H 2.553 0.000 . 716 66 66 GLU HG3 H 2.457 0.000 . 717 66 66 GLU C C 179.322 0.003 . 718 66 66 GLU CA C 59.257 0.025 . 719 66 66 GLU CB C 29.399 0.020 . 720 66 66 GLU CG C 36.004 0.003 . 721 66 66 GLU N N 116.532 0.013 . 722 67 67 ARG H H 7.837 0.005 . 723 67 67 ARG HA H 4.072 0.000 . 724 67 67 ARG HB2 H 2.086 0.000 . 725 67 67 ARG HB3 H 2.086 0.000 . 726 67 67 ARG HG2 H 1.563 0.000 . 727 67 67 ARG HG3 H 1.563 0.000 . 728 67 67 ARG HD2 H 3.313 0.000 . 729 67 67 ARG HD3 H 3.313 0.000 . 730 67 67 ARG C C 179.391 0.006 . 731 67 67 ARG CA C 59.929 0.046 . 732 67 67 ARG CB C 31.201 0.026 . 733 67 67 ARG N N 120.128 0.031 . 734 68 68 VAL H H 8.953 0.004 . 735 68 68 VAL HA H 3.661 0.003 . 736 68 68 VAL HB H 2.317 0.001 . 737 68 68 VAL HG1 H 1.384 0.000 . 738 68 68 VAL HG2 H 1.098 0.000 . 739 68 68 VAL C C 176.975 0.116 . 740 68 68 VAL CA C 66.490 0.024 . 741 68 68 VAL CB C 31.279 0.047 . 742 68 68 VAL CG1 C 25.731 0.038 . 743 68 68 VAL CG2 C 23.837 0.000 . 744 68 68 VAL N N 118.672 0.011 . 745 69 69 GLU H H 8.183 0.004 . 746 69 69 GLU HA H 4.447 0.000 . 747 69 69 GLU HB2 H 2.323 0.000 . 748 69 69 GLU HB3 H 2.138 0.000 . 749 69 69 GLU HG2 H 2.557 0.000 . 750 69 69 GLU HG3 H 2.557 0.000 . 751 69 69 GLU C C 177.861 0.020 . 752 69 69 GLU CA C 58.705 0.036 . 753 69 69 GLU CB C 28.217 0.070 . 754 69 69 GLU N N 122.484 0.023 . 755 70 70 ARG H H 7.418 0.004 . 756 70 70 ARG HA H 4.215 0.000 . 757 70 70 ARG HB2 H 2.104 0.000 . 758 70 70 ARG HB3 H 1.971 0.000 . 759 70 70 ARG HG2 H 1.719 0.000 . 760 70 70 ARG HG3 H 1.719 0.000 . 761 70 70 ARG C C 179.698 0.010 . 762 70 70 ARG CA C 59.838 0.010 . 763 70 70 ARG CB C 29.976 0.041 . 764 70 70 ARG N N 117.406 0.018 . 765 71 71 VAL H H 7.588 0.003 . 766 71 71 VAL HA H 3.736 0.002 . 767 71 71 VAL HB H 2.199 0.000 . 768 71 71 VAL HG1 H 0.825 0.000 . 769 71 71 VAL HG2 H 0.825 0.000 . 770 71 71 VAL C C 177.131 0.008 . 771 71 71 VAL CA C 66.140 0.032 . 772 71 71 VAL CB C 31.809 0.047 . 773 71 71 VAL CG1 C 22.395 0.000 . 774 71 71 VAL N N 120.237 0.015 . 775 72 72 ARG H H 9.076 0.003 . 776 72 72 ARG HA H 3.762 0.000 . 777 72 72 ARG HB2 H 2.145 0.000 . 778 72 72 ARG HB3 H 1.778 0.000 . 779 72 72 ARG HD2 H 3.094 0.000 . 780 72 72 ARG HD3 H 2.736 0.000 . 781 72 72 ARG C C 178.785 0.017 . 782 72 72 ARG CA C 60.543 0.015 . 783 72 72 ARG CB C 29.107 0.042 . 784 72 72 ARG N N 121.527 0.038 . 785 73 73 HIS H H 8.326 0.004 . 786 73 73 HIS HA H 4.324 0.000 . 787 73 73 HIS HB2 H 3.333 0.004 . 788 73 73 HIS HB3 H 3.333 0.004 . 789 73 73 HIS HD2 H 7.216 0.003 . 790 73 73 HIS C C 178.447 0.001 . 791 73 73 HIS CA C 59.625 0.056 . 792 73 73 HIS CB C 30.378 0.043 . 793 73 73 HIS CD2 C 119.892 0.000 . 794 73 73 HIS N N 116.879 0.014 . 795 74 74 GLN H H 8.051 0.007 . 796 74 74 GLN HA H 4.088 0.006 . 797 74 74 GLN HB2 H 2.364 0.000 . 798 74 74 GLN HB3 H 2.264 0.000 . 799 74 74 GLN HG2 H 2.587 0.000 . 800 74 74 GLN HG3 H 2.486 0.000 . 801 74 74 GLN HE21 H 7.386 0.000 . 802 74 74 GLN HE22 H 6.861 0.000 . 803 74 74 GLN C C 178.096 0.003 . 804 74 74 GLN CA C 58.794 0.037 . 805 74 74 GLN CB C 28.727 0.045 . 806 74 74 GLN CG C 34.072 0.000 . 807 74 74 GLN N N 119.915 0.013 . 808 74 74 GLN NE2 N 110.713 0.000 . 809 75 75 LEU H H 8.242 0.006 . 810 75 75 LEU HA H 4.380 0.005 . 811 75 75 LEU HB2 H 1.747 0.001 . 812 75 75 LEU HB3 H 1.678 0.001 . 813 75 75 LEU HG H 1.901 0.000 . 814 75 75 LEU HD1 H 0.883 0.004 . 815 75 75 LEU HD2 H 0.901 0.005 . 816 75 75 LEU C C 178.006 0.030 . 817 75 75 LEU CA C 55.368 0.017 . 818 75 75 LEU CB C 43.388 0.031 . 819 75 75 LEU CD1 C 23.919 0.012 . 820 75 75 LEU CD2 C 22.297 0.020 . 821 75 75 LEU N N 116.163 0.013 . 822 76 76 GLY H H 8.017 0.003 . 823 76 76 GLY HA2 H 4.045 0.000 . 824 76 76 GLY HA3 H 3.941 0.000 . 825 76 76 GLY C C 175.533 0.004 . 826 76 76 GLY CA C 46.546 0.022 . 827 76 76 GLY N N 109.170 0.008 . 828 77 77 ARG H H 7.451 0.005 . 829 77 77 ARG HA H 4.596 0.004 . 830 77 77 ARG HB2 H 2.093 0.000 . 831 77 77 ARG HB3 H 1.671 0.003 . 832 77 77 ARG HG2 H 1.825 0.000 . 833 77 77 ARG HG3 H 1.717 0.000 . 834 77 77 ARG HD2 H 3.424 0.000 . 835 77 77 ARG HD3 H 3.349 0.000 . 836 77 77 ARG C C 176.388 0.000 . 837 77 77 ARG CA C 54.279 0.126 . 838 77 77 ARG CB C 32.091 0.072 . 839 77 77 ARG CG C 27.630 0.008 . 840 77 77 ARG CD C 42.650 0.018 . 841 77 77 ARG N N 117.349 0.013 . 842 78 78 ARG H H 9.831 0.000 . 843 78 78 ARG HA H 4.188 0.004 . 844 78 78 ARG HB2 H 1.990 0.000 . 845 78 78 ARG HB3 H 1.990 0.000 . 846 78 78 ARG HE H 8.561 0.000 . 847 78 78 ARG C C 176.592 0.007 . 848 78 78 ARG CA C 58.556 0.012 . 849 78 78 ARG CB C 30.750 0.029 . 850 78 78 ARG N N 128.983 0.000 . 851 78 78 ARG NE N 81.301 0.000 . 852 79 79 ARG H H 7.760 0.003 . 853 79 79 ARG HA H 5.027 0.002 . 854 79 79 ARG HB2 H 1.954 0.000 . 855 79 79 ARG HB3 H 1.907 0.002 . 856 79 79 ARG HG2 H 1.650 0.000 . 857 79 79 ARG HG3 H 1.614 0.000 . 858 79 79 ARG HD2 H 3.245 0.000 . 859 79 79 ARG HD3 H 3.245 0.000 . 860 79 79 ARG C C 175.043 0.004 . 861 79 79 ARG CA C 54.604 0.079 . 862 79 79 ARG CB C 33.775 0.021 . 863 79 79 ARG CG C 26.794 0.003 . 864 79 79 ARG N N 115.198 0.020 . 865 80 80 MET H H 8.079 0.004 . 866 80 80 MET HA H 4.977 0.000 . 867 80 80 MET HB2 H 2.014 0.000 . 868 80 80 MET HB3 H 1.808 0.003 . 869 80 80 MET HG2 H 2.566 0.000 . 870 80 80 MET HG3 H 2.434 0.000 . 871 80 80 MET HE H 2.124 0.000 . 872 80 80 MET C C 173.793 0.008 . 873 80 80 MET CA C 56.227 0.061 . 874 80 80 MET CB C 39.605 0.065 . 875 80 80 MET CG C 34.325 0.008 . 876 80 80 MET CE C 18.523 0.000 . 877 80 80 MET N N 118.692 0.037 . 878 81 81 LYS H H 10.138 0.003 . 879 81 81 LYS HA H 5.512 0.003 . 880 81 81 LYS HB2 H 2.072 0.000 . 881 81 81 LYS HB3 H 1.913 0.000 . 882 81 81 LYS HG2 H 1.550 0.003 . 883 81 81 LYS HG3 H 1.424 0.000 . 884 81 81 LYS HE2 H 3.005 0.000 . 885 81 81 LYS HE3 H 3.005 0.000 . 886 81 81 LYS C C 175.409 0.003 . 887 81 81 LYS CA C 55.347 0.072 . 888 81 81 LYS CB C 35.838 0.081 . 889 81 81 LYS CG C 25.388 0.149 . 890 81 81 LYS N N 124.964 0.020 . 891 82 82 LEU H H 9.246 0.003 . 892 82 82 LEU HA H 5.279 0.000 . 893 82 82 LEU HB2 H 2.095 0.004 . 894 82 82 LEU HB3 H 1.497 0.000 . 895 82 82 LEU HG H 1.384 0.000 . 896 82 82 LEU HD1 H 0.810 0.000 . 897 82 82 LEU HD2 H 0.732 0.000 . 898 82 82 LEU C C 174.369 0.012 . 899 82 82 LEU CA C 53.133 0.024 . 900 82 82 LEU CB C 46.961 0.006 . 901 82 82 LEU CG C 25.717 0.000 . 902 82 82 LEU CD1 C 26.248 0.000 . 903 82 82 LEU CD2 C 25.665 0.000 . 904 82 82 LEU N N 128.538 0.017 . 905 83 83 LEU H H 8.702 0.006 . 906 83 83 LEU HA H 5.064 0.000 . 907 83 83 LEU HB2 H 1.695 0.000 . 908 83 83 LEU HB3 H 0.478 0.006 . 909 83 83 LEU HG H 1.131 0.000 . 910 83 83 LEU HD1 H 0.625 0.002 . 911 83 83 LEU HD2 H 0.466 0.000 . 912 83 83 LEU C C 173.243 0.042 . 913 83 83 LEU CA C 54.488 0.035 . 914 83 83 LEU CB C 42.354 0.023 . 915 83 83 LEU CG C 26.756 0.000 . 916 83 83 LEU CD1 C 22.028 0.076 . 917 83 83 LEU CD2 C 25.511 0.000 . 918 83 83 LEU N N 130.640 0.028 . 919 84 84 ASN H H 8.990 0.003 . 920 84 84 ASN HA H 4.928 0.000 . 921 84 84 ASN HB2 H 2.549 0.000 . 922 84 84 ASN HB3 H 1.855 0.000 . 923 84 84 ASN C C 171.620 0.002 . 924 84 84 ASN CA C 52.217 0.020 . 925 84 84 ASN CB C 42.301 0.024 . 926 84 84 ASN N N 129.631 0.017 . 927 85 85 VAL H H 9.019 0.003 . 928 85 85 VAL HA H 4.472 0.000 . 929 85 85 VAL HB H 2.409 0.003 . 930 85 85 VAL HG1 H 0.549 0.000 . 931 85 85 VAL HG2 H 0.736 0.000 . 932 85 85 VAL C C 174.613 0.002 . 933 85 85 VAL CA C 61.730 0.018 . 934 85 85 VAL CB C 32.695 0.053 . 935 85 85 VAL CG1 C 23.343 0.000 . 936 85 85 VAL CG2 C 21.106 0.000 . 937 85 85 VAL N N 124.617 0.019 . 938 86 86 PHE H H 8.998 0.004 . 939 86 86 PHE HA H 5.133 0.001 . 940 86 86 PHE HB2 H 3.139 0.000 . 941 86 86 PHE HB3 H 3.037 0.000 . 942 86 86 PHE HD1 H 7.646 0.006 . 943 86 86 PHE HD2 H 7.646 0.006 . 944 86 86 PHE HE1 H 7.351 0.000 . 945 86 86 PHE HE2 H 7.351 0.000 . 946 86 86 PHE C C 175.045 0.034 . 947 86 86 PHE CA C 57.738 0.018 . 948 86 86 PHE CB C 40.629 0.039 . 949 86 86 PHE CD1 C 133.368 0.010 . 950 86 86 PHE CE1 C 130.057 0.000 . 951 86 86 PHE N N 126.339 0.023 . 952 87 87 PHE H H 9.332 0.005 . 953 87 87 PHE HA H 5.299 0.001 . 954 87 87 PHE HB2 H 2.972 0.000 . 955 87 87 PHE HB3 H 2.462 0.001 . 956 87 87 PHE HD1 H 7.210 0.003 . 957 87 87 PHE HD2 H 7.210 0.003 . 958 87 87 PHE HE1 H 7.072 0.000 . 959 87 87 PHE HE2 H 7.072 0.000 . 960 87 87 PHE HZ H 6.927 0.000 . 961 87 87 PHE C C 174.339 0.004 . 962 87 87 PHE CA C 56.732 0.053 . 963 87 87 PHE CB C 39.251 0.030 . 964 87 87 PHE CD1 C 131.525 0.087 . 965 87 87 PHE CE1 C 130.675 0.000 . 966 87 87 PHE CZ C 128.480 0.000 . 967 87 87 PHE N N 123.665 0.041 . 968 88 88 SER H H 8.427 0.003 . 969 88 88 SER HA H 4.799 0.000 . 970 88 88 SER HB2 H 3.633 0.000 . 971 88 88 SER HB3 H 3.386 0.000 . 972 88 88 SER C C 173.761 0.013 . 973 88 88 SER CA C 56.067 0.074 . 974 88 88 SER CB C 65.729 0.016 . 975 88 88 SER N N 118.060 0.009 . 976 89 89 THR H H 8.981 0.003 . 977 89 89 THR HA H 3.582 0.001 . 978 89 89 THR HB H 4.006 0.000 . 979 89 89 THR HG2 H 1.307 0.000 . 980 89 89 THR C C 173.383 0.011 . 981 89 89 THR CA C 69.968 0.025 . 982 89 89 THR CB C 68.326 0.101 . 983 89 89 THR CG2 C 21.669 0.000 . 984 89 89 THR N N 127.572 0.026 . 985 90 90 GLU H H 7.995 0.003 . 986 90 90 GLU HA H 4.667 0.006 . 987 90 90 GLU HB2 H 2.181 0.000 . 988 90 90 GLU HB3 H 1.874 0.001 . 989 90 90 GLU HG2 H 2.286 0.000 . 990 90 90 GLU HG3 H 2.188 0.000 . 991 90 90 GLU C C 175.865 0.005 . 992 90 90 GLU CA C 53.615 0.041 . 993 90 90 GLU CB C 33.559 0.032 . 994 90 90 GLU CG C 36.514 0.026 . 995 90 90 GLU N N 115.287 0.011 . 996 91 91 ALA H H 8.495 0.004 . 997 91 91 ALA HA H 3.872 0.000 . 998 91 91 ALA HB H 0.950 0.006 . 999 91 91 ALA C C 174.802 0.000 . 1000 91 91 ALA CA C 50.169 0.046 . 1001 91 91 ALA CB C 17.615 0.050 . 1002 91 91 ALA N N 121.963 0.043 . 1003 92 92 PRO HA H 4.070 0.003 . 1004 92 92 PRO HB2 H 1.944 0.000 . 1005 92 92 PRO HB3 H 1.865 0.005 . 1006 92 92 PRO HG2 H 1.597 0.000 . 1007 92 92 PRO HG3 H 1.439 0.000 . 1008 92 92 PRO HD2 H 2.843 0.006 . 1009 92 92 PRO HD3 H 2.065 0.000 . 1010 92 92 PRO C C 174.923 0.006 . 1011 92 92 PRO CA C 62.756 0.049 . 1012 92 92 PRO CB C 31.872 0.023 . 1013 92 92 PRO CG C 27.641 0.025 . 1014 92 92 PRO CD C 48.782 0.000 . 1015 93 93 VAL H H 7.891 0.005 . 1016 93 93 VAL HA H 4.212 0.000 . 1017 93 93 VAL HB H 2.348 0.000 . 1018 93 93 VAL HG1 H 0.966 0.000 . 1019 93 93 VAL HG2 H 1.052 0.002 . 1020 93 93 VAL C C 176.309 0.015 . 1021 93 93 VAL CA C 62.944 0.082 . 1022 93 93 VAL CB C 32.449 0.063 . 1023 93 93 VAL CG1 C 19.496 0.000 . 1024 93 93 VAL CG2 C 21.402 0.011 . 1025 93 93 VAL N N 113.444 0.016 . 1026 94 94 ASP H H 8.472 0.004 . 1027 94 94 ASP HA H 5.005 0.003 . 1028 94 94 ASP HB2 H 3.237 0.000 . 1029 94 94 ASP HB3 H 2.928 0.003 . 1030 94 94 ASP C C 176.068 0.002 . 1031 94 94 ASP CA C 52.135 0.054 . 1032 94 94 ASP CB C 39.872 0.032 . 1033 94 94 ASP N N 121.755 0.016 . 1034 95 95 ASP H H 8.417 0.003 . 1035 95 95 ASP HA H 4.818 0.000 . 1036 95 95 ASP HB2 H 2.881 0.000 . 1037 95 95 ASP HB3 H 2.705 0.000 . 1038 95 95 ASP C C 176.444 0.010 . 1039 95 95 ASP CA C 55.097 0.082 . 1040 95 95 ASP CB C 39.147 0.027 . 1041 95 95 ASP N N 116.920 0.014 . 1042 96 96 TRP H H 8.425 0.003 . 1043 96 96 TRP HA H 4.437 0.009 . 1044 96 96 TRP HB2 H 3.579 0.003 . 1045 96 96 TRP HB3 H 2.806 0.000 . 1046 96 96 TRP HD1 H 7.849 0.004 . 1047 96 96 TRP HE1 H 10.330 0.001 . 1048 96 96 TRP HE3 H 7.238 0.003 . 1049 96 96 TRP HZ2 H 7.521 0.004 . 1050 96 96 TRP HZ3 H 6.970 0.003 . 1051 96 96 TRP HH2 H 7.154 0.003 . 1052 96 96 TRP C C 177.189 0.014 . 1053 96 96 TRP CA C 57.294 0.038 . 1054 96 96 TRP CB C 30.020 0.071 . 1055 96 96 TRP CD1 C 128.883 0.028 . 1056 96 96 TRP CE3 C 120.102 0.027 . 1057 96 96 TRP CZ2 C 115.035 0.000 . 1058 96 96 TRP CZ3 C 121.931 0.011 . 1059 96 96 TRP CH2 C 124.629 0.000 . 1060 96 96 TRP N N 123.656 0.032 . 1061 96 96 TRP NE1 N 131.944 0.020 . 1062 97 97 GLU H H 8.179 0.004 . 1063 97 97 GLU HA H 3.041 0.000 . 1064 97 97 GLU HB2 H 1.541 0.000 . 1065 97 97 GLU HB3 H 1.486 0.000 . 1066 97 97 GLU HG2 H 1.366 0.000 . 1067 97 97 GLU HG3 H 0.972 0.000 . 1068 97 97 GLU C C 178.202 0.007 . 1069 97 97 GLU CA C 60.980 0.036 . 1070 97 97 GLU CB C 28.773 0.041 . 1071 97 97 GLU CG C 36.362 0.054 . 1072 97 97 GLU N N 124.493 0.035 . 1073 98 98 GLU H H 7.852 0.003 . 1074 98 98 GLU HA H 3.987 0.005 . 1075 98 98 GLU HB2 H 2.097 0.000 . 1076 98 98 GLU HB3 H 1.958 0.000 . 1077 98 98 GLU HG2 H 2.364 0.000 . 1078 98 98 GLU HG3 H 2.259 0.000 . 1079 98 98 GLU C C 178.418 0.013 . 1080 98 98 GLU CA C 58.817 0.013 . 1081 98 98 GLU CB C 29.809 0.040 . 1082 98 98 GLU CG C 36.242 0.004 . 1083 98 98 GLU N N 116.181 0.007 . 1084 99 99 ILE H H 7.427 0.003 . 1085 99 99 ILE HA H 4.130 0.000 . 1086 99 99 ILE HB H 2.329 0.003 . 1087 99 99 ILE HG12 H 1.577 0.000 . 1088 99 99 ILE HG13 H 1.541 0.000 . 1089 99 99 ILE HG2 H 1.043 0.000 . 1090 99 99 ILE HD1 H 0.932 0.000 . 1091 99 99 ILE C C 177.238 0.009 . 1092 99 99 ILE CA C 61.341 0.018 . 1093 99 99 ILE CB C 37.283 0.050 . 1094 99 99 ILE CG1 C 28.336 0.000 . 1095 99 99 ILE CG2 C 18.724 0.022 . 1096 99 99 ILE CD1 C 11.595 0.042 . 1097 99 99 ILE N N 115.384 0.017 . 1098 100 100 ALA H H 7.805 0.003 . 1099 100 100 ALA HA H 4.228 0.008 . 1100 100 100 ALA HB H 1.688 0.000 . 1101 100 100 ALA C C 177.052 0.003 . 1102 100 100 ALA CA C 53.871 0.027 . 1103 100 100 ALA CB C 19.100 0.027 . 1104 100 100 ALA N N 119.559 0.023 . 1105 101 101 LYS H H 7.420 0.001 . 1106 101 101 LYS HA H 4.521 0.000 . 1107 101 101 LYS HB2 H 2.081 0.006 . 1108 101 101 LYS HB3 H 1.830 0.000 . 1109 101 101 LYS HG2 H 1.554 0.000 . 1110 101 101 LYS HG3 H 1.554 0.000 . 1111 101 101 LYS HE2 H 2.999 0.000 . 1112 101 101 LYS HE3 H 2.999 0.000 . 1113 101 101 LYS C C 175.970 0.003 . 1114 101 101 LYS CA C 56.157 0.023 . 1115 101 101 LYS CB C 33.127 0.023 . 1116 101 101 LYS CG C 25.122 0.000 . 1117 101 101 LYS N N 113.713 0.015 . 1118 102 102 LYS H H 7.468 0.002 . 1119 102 102 LYS HA H 4.692 0.000 . 1120 102 102 LYS HB2 H 1.955 0.000 . 1121 102 102 LYS HB3 H 1.912 0.001 . 1122 102 102 LYS HG2 H 1.464 0.000 . 1123 102 102 LYS HG3 H 1.544 0.000 . 1124 102 102 LYS HD2 H 1.771 0.000 . 1125 102 102 LYS HD3 H 1.771 0.000 . 1126 102 102 LYS HE2 H 3.051 0.000 . 1127 102 102 LYS HE3 H 3.051 0.000 . 1128 102 102 LYS C C 175.416 0.002 . 1129 102 102 LYS CA C 55.471 0.019 . 1130 102 102 LYS CB C 34.810 0.071 . 1131 102 102 LYS CG C 24.669 0.060 . 1132 102 102 LYS CD C 29.500 0.000 . 1133 102 102 LYS N N 120.817 0.018 . 1134 103 103 THR H H 8.428 0.002 . 1135 103 103 THR HA H 4.762 0.000 . 1136 103 103 THR HB H 4.171 0.003 . 1137 103 103 THR HG2 H 1.260 0.000 . 1138 103 103 THR C C 174.130 0.050 . 1139 103 103 THR CA C 63.571 0.012 . 1140 103 103 THR CB C 69.659 0.036 . 1141 103 103 THR CG2 C 22.207 0.000 . 1142 103 103 THR N N 118.711 0.009 . 1143 104 104 PHE H H 9.184 0.003 . 1144 104 104 PHE HA H 4.784 0.000 . 1145 104 104 PHE HB2 H 3.274 0.000 . 1146 104 104 PHE HB3 H 3.110 0.002 . 1147 104 104 PHE HD1 H 7.309 0.001 . 1148 104 104 PHE HD2 H 7.309 0.001 . 1149 104 104 PHE HE1 H 7.443 0.000 . 1150 104 104 PHE HE2 H 7.443 0.000 . 1151 104 104 PHE C C 174.075 0.019 . 1152 104 104 PHE CA C 57.809 0.048 . 1153 104 104 PHE CB C 41.259 0.013 . 1154 104 104 PHE CD1 C 131.937 0.000 . 1155 104 104 PHE CE1 C 131.753 0.000 . 1156 104 104 PHE N N 129.490 0.015 . 1157 105 105 GLU H H 8.246 0.002 . 1158 105 105 GLU HA H 5.015 0.000 . 1159 105 105 GLU HB2 H 2.010 0.000 . 1160 105 105 GLU HB3 H 1.875 0.000 . 1161 105 105 GLU HG2 H 2.191 0.000 . 1162 105 105 GLU HG3 H 2.191 0.000 . 1163 105 105 GLU C C 175.108 0.006 . 1164 105 105 GLU CA C 55.120 0.056 . 1165 105 105 GLU CB C 32.485 0.031 . 1166 105 105 GLU CG C 36.345 0.000 . 1167 105 105 GLU N N 126.822 0.031 . 1168 106 106 LYS H H 8.643 0.005 . 1169 106 106 LYS HA H 4.454 0.000 . 1170 106 106 LYS HB2 H 1.865 0.000 . 1171 106 106 LYS HB3 H 1.625 0.002 . 1172 106 106 LYS HG2 H 1.491 0.000 . 1173 106 106 LYS HG3 H 1.354 0.000 . 1174 106 106 LYS HE2 H 3.103 0.000 . 1175 106 106 LYS HE3 H 3.103 0.000 . 1176 106 106 LYS C C 176.420 0.024 . 1177 106 106 LYS CA C 55.471 0.036 . 1178 106 106 LYS CB C 34.560 0.020 . 1179 106 106 LYS CG C 25.075 0.013 . 1180 106 106 LYS N N 125.105 0.030 . 1181 107 107 GLY H H 9.136 0.002 . 1182 107 107 GLY HA2 H 4.280 0.000 . 1183 107 107 GLY HA3 H 3.780 0.000 . 1184 107 107 GLY C C 175.743 0.001 . 1185 107 107 GLY CA C 47.454 0.042 . 1186 107 107 GLY N N 117.204 0.025 . 1187 108 108 THR H H 8.827 0.001 . 1188 108 108 THR HA H 4.506 0.002 . 1189 108 108 THR HB H 4.813 0.000 . 1190 108 108 THR HG2 H 1.324 0.004 . 1191 108 108 THR C C 174.020 0.006 . 1192 108 108 THR CA C 61.871 0.046 . 1193 108 108 THR CB C 68.346 0.008 . 1194 108 108 THR CG2 C 22.548 0.000 . 1195 108 108 THR N N 118.008 0.015 . 1196 109 109 VAL H H 7.900 0.004 . 1197 109 109 VAL HA H 5.340 0.003 . 1198 109 109 VAL HB H 2.347 0.000 . 1199 109 109 VAL HG1 H 1.123 0.000 . 1200 109 109 VAL HG2 H 1.185 0.001 . 1201 109 109 VAL C C 174.731 0.005 . 1202 109 109 VAL CA C 60.680 0.028 . 1203 109 109 VAL CB C 34.676 0.033 . 1204 109 109 VAL CG1 C 21.562 0.000 . 1205 109 109 VAL CG2 C 21.441 0.011 . 1206 109 109 VAL N N 119.673 0.032 . 1207 110 110 SER H H 8.499 0.003 . 1208 110 110 SER HA H 5.668 0.006 . 1209 110 110 SER HB2 H 3.871 0.000 . 1210 110 110 SER HB3 H 3.794 0.000 . 1211 110 110 SER C C 173.528 0.008 . 1212 110 110 SER CA C 56.454 0.036 . 1213 110 110 SER CB C 66.059 0.035 . 1214 110 110 SER N N 118.479 0.015 . 1215 111 111 VAL H H 9.682 0.006 . 1216 111 111 VAL HA H 5.062 0.020 . 1217 111 111 VAL HB H 2.382 0.000 . 1218 111 111 VAL HG1 H 0.970 0.000 . 1219 111 111 VAL HG2 H 1.100 0.000 . 1220 111 111 VAL C C 173.732 0.012 . 1221 111 111 VAL CA C 61.416 0.044 . 1222 111 111 VAL CB C 34.759 0.071 . 1223 111 111 VAL CG1 C 22.683 0.055 . 1224 111 111 VAL CG2 C 20.119 0.003 . 1225 111 111 VAL N N 123.359 0.015 . 1226 112 112 GLU H H 9.639 0.005 . 1227 112 112 GLU HA H 5.258 0.000 . 1228 112 112 GLU HB2 H 2.213 0.000 . 1229 112 112 GLU HB3 H 2.099 0.000 . 1230 112 112 GLU HG2 H 2.421 0.000 . 1231 112 112 GLU HG3 H 2.199 0.000 . 1232 112 112 GLU C C 173.488 0.000 . 1233 112 112 GLU CA C 52.094 0.055 . 1234 112 112 GLU CB C 32.213 0.052 . 1235 112 112 GLU CG C 35.524 0.003 . 1236 112 112 GLU N N 130.980 0.012 . 1237 113 113 PRO HA H 5.562 0.004 . 1238 113 113 PRO HB2 H 2.205 0.000 . 1239 113 113 PRO HB3 H 2.301 0.000 . 1240 113 113 PRO HG2 H 2.654 0.001 . 1241 113 113 PRO HG3 H 2.338 0.000 . 1242 113 113 PRO HD2 H 4.390 0.000 . 1243 113 113 PRO HD3 H 4.190 0.000 . 1244 113 113 PRO C C 175.639 0.002 . 1245 113 113 PRO CA C 61.773 0.029 . 1246 113 113 PRO CB C 33.941 0.011 . 1247 113 113 PRO CG C 27.469 0.045 . 1248 113 113 PRO CD C 52.081 0.134 . 1249 114 114 ALA H H 8.690 0.003 . 1250 114 114 ALA HA H 4.736 0.000 . 1251 114 114 ALA HB H 1.328 0.000 . 1252 114 114 ALA C C 174.859 0.001 . 1253 114 114 ALA CA C 51.663 0.046 . 1254 114 114 ALA CB C 23.482 0.006 . 1255 114 114 ALA N N 120.282 0.037 . 1256 115 115 ILE H H 8.704 0.007 . 1257 115 115 ILE HA H 5.213 0.003 . 1258 115 115 ILE HB H 1.431 0.002 . 1259 115 115 ILE HG12 H 1.518 0.001 . 1260 115 115 ILE HG13 H 0.844 0.001 . 1261 115 115 ILE HG2 H 0.776 0.000 . 1262 115 115 ILE HD1 H 0.293 0.004 . 1263 115 115 ILE C C 171.897 0.015 . 1264 115 115 ILE CA C 59.379 0.026 . 1265 115 115 ILE CB C 42.616 0.016 . 1266 115 115 ILE CG1 C 29.133 0.025 . 1267 115 115 ILE CG2 C 15.759 0.000 . 1268 115 115 ILE CD1 C 13.750 0.053 . 1269 115 115 ILE N N 120.207 0.038 . 1270 116 116 VAL H H 8.870 0.004 . 1271 116 116 VAL HA H 3.992 0.001 . 1272 116 116 VAL HB H 1.099 0.000 . 1273 116 116 VAL HG1 H 0.626 0.000 . 1274 116 116 VAL HG2 H 0.255 0.000 . 1275 116 116 VAL C C 173.903 0.006 . 1276 116 116 VAL CA C 61.514 0.040 . 1277 116 116 VAL CB C 32.604 0.032 . 1278 116 116 VAL CG1 C 21.825 0.000 . 1279 116 116 VAL CG2 C 20.267 0.000 . 1280 116 116 VAL N N 127.079 0.019 . 1281 117 117 ARG H H 9.751 0.006 . 1282 117 117 ARG HA H 5.007 0.000 . 1283 117 117 ARG HB2 H 1.851 0.000 . 1284 117 117 ARG HB3 H 1.702 0.000 . 1285 117 117 ARG HG2 H 0.824 0.000 . 1286 117 117 ARG HG3 H 0.824 0.000 . 1287 117 117 ARG HD2 H 3.107 0.000 . 1288 117 117 ARG HD3 H 2.822 0.000 . 1289 117 117 ARG HE H 9.988 0.000 . 1290 117 117 ARG C C 179.041 0.004 . 1291 117 117 ARG CA C 53.281 0.093 . 1292 117 117 ARG CB C 32.297 0.065 . 1293 117 117 ARG CG C 26.522 0.000 . 1294 117 117 ARG CD C 40.725 0.000 . 1295 117 117 ARG N N 126.268 0.013 . 1296 117 117 ARG NE N 85.484 0.000 . 1297 118 118 GLY H H 9.277 0.004 . 1298 118 118 GLY HA2 H 4.171 0.000 . 1299 118 118 GLY HA3 H 3.764 0.000 . 1300 118 118 GLY C C 175.514 0.006 . 1301 118 118 GLY CA C 48.122 0.087 . 1302 118 118 GLY N N 110.782 0.017 . 1303 119 119 THR H H 7.402 0.004 . 1304 119 119 THR HA H 4.273 0.000 . 1305 119 119 THR HB H 4.509 0.002 . 1306 119 119 THR HG2 H 1.491 0.000 . 1307 119 119 THR C C 175.596 0.006 . 1308 119 119 THR CA C 62.703 0.045 . 1309 119 119 THR CB C 69.503 0.034 . 1310 119 119 THR CG2 C 23.360 0.000 . 1311 119 119 THR N N 106.409 0.019 . 1312 120 120 MET H H 7.333 0.003 . 1313 120 120 MET HA H 5.038 0.003 . 1314 120 120 MET HB2 H 1.817 0.000 . 1315 120 120 MET HB3 H 1.817 0.000 . 1316 120 120 MET HG2 H 2.624 0.000 . 1317 120 120 MET HG3 H 2.521 0.000 . 1318 120 120 MET HE H 2.210 0.008 . 1319 120 120 MET C C 175.928 0.032 . 1320 120 120 MET CA C 54.063 0.034 . 1321 120 120 MET CB C 32.592 0.066 . 1322 120 120 MET CG C 32.663 0.017 . 1323 120 120 MET CE C 17.535 0.089 . 1324 120 120 MET N N 123.681 0.025 . 1325 121 121 LEU H H 6.896 0.012 . 1326 121 121 LEU HA H 4.027 0.005 . 1327 121 121 LEU HB2 H 1.877 0.000 . 1328 121 121 LEU HB3 H 1.829 0.005 . 1329 121 121 LEU HG H 1.741 0.001 . 1330 121 121 LEU HD1 H 1.019 0.000 . 1331 121 121 LEU HD2 H 0.952 0.002 . 1332 121 121 LEU C C 178.415 0.013 . 1333 121 121 LEU CA C 60.260 0.054 . 1334 121 121 LEU CB C 43.759 0.058 . 1335 121 121 LEU CG C 26.776 0.008 . 1336 121 121 LEU CD1 C 26.227 0.000 . 1337 121 121 LEU CD2 C 25.356 0.000 . 1338 121 121 LEU N N 121.410 0.012 . 1339 122 122 ARG H H 8.628 0.018 . 1340 122 122 ARG HA H 4.015 0.000 . 1341 122 122 ARG HB2 H 1.953 0.000 . 1342 122 122 ARG HB3 H 1.953 0.000 . 1343 122 122 ARG C C 178.928 0.011 . 1344 122 122 ARG CA C 60.825 0.012 . 1345 122 122 ARG CB C 29.818 0.021 . 1346 122 122 ARG N N 116.157 0.012 . 1347 123 123 ASP H H 8.072 0.005 . 1348 123 123 ASP HA H 4.474 0.005 . 1349 123 123 ASP HB2 H 2.793 0.000 . 1350 123 123 ASP HB3 H 2.597 0.000 . 1351 123 123 ASP C C 179.241 0.025 . 1352 123 123 ASP CA C 57.450 0.017 . 1353 123 123 ASP CB C 40.885 0.005 . 1354 123 123 ASP N N 118.599 0.019 . 1355 124 124 ASP H H 8.712 0.002 . 1356 124 124 ASP HA H 4.668 0.000 . 1357 124 124 ASP HB2 H 2.805 0.000 . 1358 124 124 ASP HB3 H 2.603 0.001 . 1359 124 124 ASP C C 179.472 0.004 . 1360 124 124 ASP CA C 57.617 0.035 . 1361 124 124 ASP CB C 40.850 0.066 . 1362 124 124 ASP N N 121.104 0.010 . 1363 125 125 LEU H H 8.786 0.011 . 1364 125 125 LEU HA H 4.083 0.002 . 1365 125 125 LEU HB2 H 1.732 0.005 . 1366 125 125 LEU HB3 H 2.151 0.004 . 1367 125 125 LEU HG H 2.064 0.000 . 1368 125 125 LEU HD1 H 0.901 0.000 . 1369 125 125 LEU HD2 H 1.050 0.000 . 1370 125 125 LEU C C 179.236 0.009 . 1371 125 125 LEU CA C 58.547 0.060 . 1372 125 125 LEU CB C 42.397 0.052 . 1373 125 125 LEU CG C 26.797 0.000 . 1374 125 125 LEU CD1 C 24.472 0.000 . 1375 125 125 LEU CD2 C 26.510 0.000 . 1376 125 125 LEU N N 119.940 0.007 . 1377 126 126 GLN H H 7.781 0.002 . 1378 126 126 GLN HA H 4.105 0.000 . 1379 126 126 GLN HB2 H 2.375 0.000 . 1380 126 126 GLN HB3 H 2.267 0.000 . 1381 126 126 GLN HG2 H 2.695 0.000 . 1382 126 126 GLN HG3 H 2.601 0.000 . 1383 126 126 GLN HE21 H 7.539 0.000 . 1384 126 126 GLN HE22 H 6.928 0.000 . 1385 126 126 GLN C C 176.823 0.004 . 1386 126 126 GLN CA C 58.655 0.020 . 1387 126 126 GLN CB C 28.732 0.020 . 1388 126 126 GLN CG C 34.688 0.024 . 1389 126 126 GLN N N 117.117 0.005 . 1390 126 126 GLN NE2 N 111.653 0.003 . 1391 127 127 ALA H H 7.337 0.003 . 1392 127 127 ALA HA H 4.292 0.006 . 1393 127 127 ALA HB H 1.647 0.000 . 1394 127 127 ALA C C 178.850 0.005 . 1395 127 127 ALA CA C 54.191 0.061 . 1396 127 127 ALA CB C 19.183 0.012 . 1397 127 127 ALA N N 118.069 0.019 . 1398 128 128 VAL H H 7.725 0.004 . 1399 128 128 VAL HA H 3.809 0.002 . 1400 128 128 VAL HB H 1.434 0.000 . 1401 128 128 VAL HG1 H 0.738 0.000 . 1402 128 128 VAL HG2 H 0.040 0.003 . 1403 128 128 VAL C C 174.713 0.002 . 1404 128 128 VAL CA C 64.086 0.013 . 1405 128 128 VAL CB C 33.776 0.044 . 1406 128 128 VAL CG1 C 22.631 0.000 . 1407 128 128 VAL CG2 C 21.378 0.009 . 1408 128 128 VAL N N 115.838 0.017 . 1409 129 129 PHE H H 8.394 0.004 . 1410 129 129 PHE HA H 5.408 0.004 . 1411 129 129 PHE HB2 H 3.130 0.000 . 1412 129 129 PHE HB3 H 2.890 0.005 . 1413 129 129 PHE HD1 H 7.221 0.003 . 1414 129 129 PHE HD2 H 7.221 0.003 . 1415 129 129 PHE HE1 H 6.949 0.000 . 1416 129 129 PHE HE2 H 6.949 0.000 . 1417 129 129 PHE HZ H 6.819 0.000 . 1418 129 129 PHE C C 173.814 0.000 . 1419 129 129 PHE CA C 54.682 0.027 . 1420 129 129 PHE CB C 40.433 0.009 . 1421 129 129 PHE CD1 C 132.977 0.014 . 1422 129 129 PHE CE1 C 130.259 0.000 . 1423 129 129 PHE CZ C 128.745 0.000 . 1424 129 129 PHE N N 116.311 0.031 . 1425 130 130 PRO HA H 4.606 0.001 . 1426 130 130 PRO HB2 H 2.703 0.000 . 1427 130 130 PRO HB3 H 2.132 0.000 . 1428 130 130 PRO HG2 H 2.179 0.000 . 1429 130 130 PRO HG3 H 2.121 0.003 . 1430 130 130 PRO HD2 H 3.828 0.000 . 1431 130 130 PRO HD3 H 3.297 0.002 . 1432 130 130 PRO C C 177.774 0.012 . 1433 130 130 PRO CA C 65.239 0.012 . 1434 130 130 PRO CB C 31.854 0.021 . 1435 130 130 PRO CG C 27.408 0.009 . 1436 130 130 PRO CD C 50.561 0.000 . 1437 131 131 SER H H 8.310 0.003 . 1438 131 131 SER HA H 4.544 0.000 . 1439 131 131 SER HB2 H 4.425 0.001 . 1440 131 131 SER HB3 H 4.123 0.000 . 1441 131 131 SER C C 174.460 0.000 . 1442 131 131 SER CA C 59.245 0.051 . 1443 131 131 SER CB C 63.677 0.036 . 1444 131 131 SER N N 111.266 0.026 . 1445 132 132 PHE H H 8.075 0.005 . 1446 132 132 PHE HA H 3.795 0.000 . 1447 132 132 PHE HB2 H 3.120 0.000 . 1448 132 132 PHE HB3 H 2.302 0.000 . 1449 132 132 PHE HD1 H 6.700 0.003 . 1450 132 132 PHE HD2 H 6.700 0.003 . 1451 132 132 PHE HE1 H 7.108 0.000 . 1452 132 132 PHE HE2 H 7.108 0.000 . 1453 132 132 PHE HZ H 6.998 0.000 . 1454 132 132 PHE C C 174.636 0.012 . 1455 132 132 PHE CA C 57.492 0.023 . 1456 132 132 PHE CB C 39.835 0.051 . 1457 132 132 PHE CD1 C 131.919 0.000 . 1458 132 132 PHE CE1 C 131.035 0.000 . 1459 132 132 PHE CZ C 129.146 0.000 . 1460 132 132 PHE N N 124.790 0.032 . 1461 133 133 ARG H H 7.746 0.004 . 1462 133 133 ARG HA H 4.343 0.013 . 1463 133 133 ARG HB2 H 1.803 0.000 . 1464 133 133 ARG HB3 H 1.625 0.007 . 1465 133 133 ARG HG2 H 1.717 0.000 . 1466 133 133 ARG HG3 H 1.717 0.000 . 1467 133 133 ARG HD2 H 3.253 0.000 . 1468 133 133 ARG HD3 H 3.253 0.000 . 1469 133 133 ARG C C 175.890 0.005 . 1470 133 133 ARG CA C 55.628 0.005 . 1471 133 133 ARG CB C 29.559 0.071 . 1472 133 133 ARG N N 128.820 0.014 . 1473 134 134 THR H H 8.126 0.004 . 1474 134 134 THR HA H 4.079 0.000 . 1475 134 134 THR HB H 4.369 0.000 . 1476 134 134 THR HG2 H 1.436 0.001 . 1477 134 134 THR C C 176.526 0.010 . 1478 134 134 THR CA C 63.389 0.045 . 1479 134 134 THR CB C 69.329 0.033 . 1480 134 134 THR CG2 C 23.069 0.016 . 1481 134 134 THR N N 115.633 0.007 . 1482 135 135 GLU H H 8.923 0.002 . 1483 135 135 GLU HA H 4.127 0.000 . 1484 135 135 GLU HB2 H 2.014 0.000 . 1485 135 135 GLU HB3 H 2.014 0.000 . 1486 135 135 GLU HG2 H 2.340 0.000 . 1487 135 135 GLU HG3 H 2.340 0.000 . 1488 135 135 GLU C C 176.961 0.007 . 1489 135 135 GLU CA C 59.122 0.021 . 1490 135 135 GLU CB C 29.270 0.035 . 1491 135 135 GLU CG C 36.652 0.000 . 1492 135 135 GLU N N 123.229 0.020 . 1493 136 136 ASP H H 8.062 0.005 . 1494 136 136 ASP HA H 4.658 0.000 . 1495 136 136 ASP HB2 H 2.668 0.000 . 1496 136 136 ASP HB3 H 2.740 0.000 . 1497 136 136 ASP C C 176.604 0.009 . 1498 136 136 ASP CA C 54.888 0.007 . 1499 136 136 ASP CB C 40.780 0.011 . 1500 136 136 ASP N N 117.751 0.014 . 1501 137 137 CYS H H 8.077 0.002 . 1502 137 137 CYS HA H 4.686 0.000 . 1503 137 137 CYS HB2 H 3.068 0.000 . 1504 137 137 CYS HB3 H 3.068 0.000 . 1505 137 137 CYS C C 173.287 0.003 . 1506 137 137 CYS CA C 58.745 0.046 . 1507 137 137 CYS CB C 26.577 0.034 . 1508 137 137 CYS N N 119.872 0.011 . 1509 138 138 SER H H 7.989 0.001 . 1510 138 138 SER HA H 4.708 0.000 . 1511 138 138 SER HB2 H 4.159 0.000 . 1512 138 138 SER HB3 H 3.896 0.000 . 1513 138 138 SER C C 175.028 0.014 . 1514 138 138 SER CA C 57.315 0.056 . 1515 138 138 SER CB C 65.302 0.019 . 1516 138 138 SER N N 116.910 0.006 . 1517 139 139 GLU H H 9.079 0.002 . 1518 139 139 GLU HA H 4.131 0.000 . 1519 139 139 GLU HB2 H 2.150 0.000 . 1520 139 139 GLU HB3 H 2.150 0.000 . 1521 139 139 GLU HG2 H 2.445 0.000 . 1522 139 139 GLU HG3 H 2.445 0.000 . 1523 139 139 GLU C C 177.888 0.003 . 1524 139 139 GLU CA C 59.502 0.023 . 1525 139 139 GLU CB C 29.574 0.007 . 1526 139 139 GLU CG C 36.420 0.000 . 1527 139 139 GLU N N 122.739 0.008 . 1528 140 140 GLU H H 8.596 0.002 . 1529 140 140 GLU HA H 4.151 0.000 . 1530 140 140 GLU HB2 H 1.871 0.000 . 1531 140 140 GLU HB3 H 1.871 0.000 . 1532 140 140 GLU HG2 H 2.131 0.000 . 1533 140 140 GLU HG3 H 2.131 0.000 . 1534 140 140 GLU C C 177.200 0.002 . 1535 140 140 GLU CA C 58.493 0.025 . 1536 140 140 GLU CB C 29.295 0.020 . 1537 140 140 GLU CG C 36.153 0.000 . 1538 140 140 GLU N N 118.387 0.021 . 1539 141 141 HIS H H 7.711 0.003 . 1540 141 141 HIS HA H 4.625 0.000 . 1541 141 141 HIS HB2 H 2.870 0.000 . 1542 141 141 HIS HB3 H 2.870 0.000 . 1543 141 141 HIS C C 174.225 0.007 . 1544 141 141 HIS CA C 55.829 0.007 . 1545 141 141 HIS CB C 30.149 0.013 . 1546 141 141 HIS N N 116.632 0.024 . 1547 142 142 ALA H H 7.559 0.003 . 1548 142 142 ALA HA H 4.127 0.000 . 1549 142 142 ALA HB H 1.458 0.000 . 1550 142 142 ALA C C 176.041 0.002 . 1551 142 142 ALA CA C 51.835 0.022 . 1552 142 142 ALA CB C 19.177 0.037 . 1553 142 142 ALA N N 121.981 0.022 . 1554 143 143 SER H H 7.889 0.003 . 1555 143 143 SER HA H 4.576 0.000 . 1556 143 143 SER HB2 H 3.976 0.000 . 1557 143 143 SER HB3 H 3.927 0.006 . 1558 143 143 SER C C 174.353 0.000 . 1559 143 143 SER CA C 59.284 0.023 . 1560 143 143 SER CB C 64.108 0.086 . 1561 143 143 SER N N 115.073 0.009 . 1562 144 144 PHE HA H 3.629 0.000 . 1563 144 144 PHE HB2 H 2.808 0.000 . 1564 144 144 PHE HB3 H 2.808 0.000 . 1565 144 144 PHE HD1 H 6.960 0.000 . 1566 144 144 PHE HD2 H 6.960 0.000 . 1567 144 144 PHE HE1 H 7.387 0.000 . 1568 144 144 PHE HE2 H 7.387 0.000 . 1569 144 144 PHE C C 177.265 0.012 . 1570 144 144 PHE CA C 61.453 0.072 . 1571 144 144 PHE CB C 38.913 0.028 . 1572 144 144 PHE CD1 C 131.752 0.000 . 1573 144 144 PHE CE1 C 131.721 0.000 . 1574 145 145 GLU H H 9.118 0.005 . 1575 145 145 GLU HA H 4.355 0.000 . 1576 145 145 GLU HB2 H 2.103 0.000 . 1577 145 145 GLU HB3 H 2.003 0.000 . 1578 145 145 GLU C C 179.088 0.007 . 1579 145 145 GLU CA C 60.214 0.031 . 1580 145 145 GLU CB C 29.064 0.043 . 1581 145 145 GLU N N 118.317 0.029 . 1582 146 146 ASN H H 8.009 0.002 . 1583 146 146 ASN HA H 4.748 0.000 . 1584 146 146 ASN HB2 H 2.942 0.000 . 1585 146 146 ASN HB3 H 2.731 0.000 . 1586 146 146 ASN C C 178.510 0.040 . 1587 146 146 ASN CA C 55.868 0.004 . 1588 146 146 ASN CB C 38.071 0.017 . 1589 146 146 ASN N N 118.612 0.014 . 1590 147 147 ALA H H 8.480 0.004 . 1591 147 147 ALA HA H 4.431 0.000 . 1592 147 147 ALA HB H 1.769 0.000 . 1593 147 147 ALA C C 178.850 0.002 . 1594 147 147 ALA CA C 56.768 0.070 . 1595 147 147 ALA CB C 17.651 0.043 . 1596 147 147 ALA N N 124.663 0.017 . 1597 148 148 GLN H H 8.266 0.002 . 1598 148 148 GLN HA H 3.863 0.004 . 1599 148 148 GLN HB2 H 1.990 0.000 . 1600 148 148 GLN HB3 H 1.901 0.000 . 1601 148 148 GLN HG2 H 1.983 0.000 . 1602 148 148 GLN HG3 H 1.926 0.000 . 1603 148 148 GLN HE21 H 7.140 0.000 . 1604 148 148 GLN HE22 H 6.877 0.000 . 1605 148 148 GLN C C 178.897 0.001 . 1606 148 148 GLN CA C 58.658 0.010 . 1607 148 148 GLN CB C 28.150 0.042 . 1608 148 148 GLN CG C 33.672 0.010 . 1609 148 148 GLN N N 117.615 0.009 . 1610 148 148 GLN NE2 N 113.078 0.000 . 1611 149 149 MET H H 8.229 0.007 . 1612 149 149 MET HA H 4.280 0.000 . 1613 149 149 MET HB2 H 2.348 0.000 . 1614 149 149 MET HB3 H 2.279 0.000 . 1615 149 149 MET HG2 H 2.822 0.000 . 1616 149 149 MET HG3 H 2.679 0.000 . 1617 149 149 MET HE H 2.204 0.000 . 1618 149 149 MET C C 178.578 0.002 . 1619 149 149 MET CA C 58.590 0.008 . 1620 149 149 MET CB C 32.631 0.060 . 1621 149 149 MET CG C 32.317 0.005 . 1622 149 149 MET CE C 17.120 0.000 . 1623 149 149 MET N N 119.469 0.027 . 1624 150 150 ALA H H 8.239 0.005 . 1625 150 150 ALA HA H 4.187 0.000 . 1626 150 150 ALA HB H 1.684 0.000 . 1627 150 150 ALA C C 180.840 0.008 . 1628 150 150 ALA CA C 55.625 0.013 . 1629 150 150 ALA CB C 18.650 0.009 . 1630 150 150 ALA N N 122.888 0.023 . 1631 151 151 ARG H H 7.811 0.006 . 1632 151 151 ARG HA H 3.202 0.002 . 1633 151 151 ARG HB2 H 1.512 0.000 . 1634 151 151 ARG HB3 H 0.057 0.000 . 1635 151 151 ARG HG2 H 0.795 0.000 . 1636 151 151 ARG HG3 H -0.485 0.005 . 1637 151 151 ARG HD2 H 2.908 0.000 . 1638 151 151 ARG HD3 H 2.858 0.000 . 1639 151 151 ARG C C 177.287 0.003 . 1640 151 151 ARG CA C 60.100 0.013 . 1641 151 151 ARG CB C 28.732 0.046 . 1642 151 151 ARG CG C 26.184 0.000 . 1643 151 151 ARG CD C 43.711 0.000 . 1644 151 151 ARG N N 123.278 0.025 . 1645 152 152 GLU H H 8.127 0.002 . 1646 152 152 GLU HA H 3.881 0.007 . 1647 152 152 GLU HB2 H 2.159 0.000 . 1648 152 152 GLU HB3 H 2.159 0.000 . 1649 152 152 GLU HG2 H 2.447 0.000 . 1650 152 152 GLU HG3 H 2.280 0.000 . 1651 152 152 GLU C C 179.904 0.001 . 1652 152 152 GLU CA C 59.862 0.013 . 1653 152 152 GLU CB C 29.135 0.121 . 1654 152 152 GLU CG C 36.411 0.000 . 1655 152 152 GLU N N 118.902 0.012 . 1656 153 153 ARG H H 8.532 0.007 . 1657 153 153 ARG HA H 4.174 0.001 . 1658 153 153 ARG HB2 H 2.027 0.000 . 1659 153 153 ARG HB3 H 1.888 0.000 . 1660 153 153 ARG HG2 H 1.693 0.000 . 1661 153 153 ARG HG3 H 1.693 0.000 . 1662 153 153 ARG HD2 H 3.323 0.003 . 1663 153 153 ARG HD3 H 3.323 0.003 . 1664 153 153 ARG C C 179.669 0.160 . 1665 153 153 ARG CA C 59.209 0.035 . 1666 153 153 ARG CB C 29.890 0.029 . 1667 153 153 ARG CD C 43.407 0.000 . 1668 153 153 ARG N N 119.477 0.029 . 1669 154 154 PHE H H 7.934 0.005 . 1670 154 154 PHE HA H 4.372 0.004 . 1671 154 154 PHE HB2 H 3.552 0.006 . 1672 154 154 PHE HB3 H 3.552 0.006 . 1673 154 154 PHE HD1 H 7.223 0.002 . 1674 154 154 PHE HD2 H 7.223 0.002 . 1675 154 154 PHE HE1 H 7.324 0.000 . 1676 154 154 PHE HE2 H 7.324 0.000 . 1677 154 154 PHE HZ H 7.086 0.000 . 1678 154 154 PHE C C 176.352 0.013 . 1679 154 154 PHE CA C 61.984 0.051 . 1680 154 154 PHE CB C 38.922 0.014 . 1681 154 154 PHE CD1 C 132.369 0.000 . 1682 154 154 PHE CE1 C 131.360 0.000 . 1683 154 154 PHE CZ C 129.430 0.000 . 1684 154 154 PHE N N 120.402 0.025 . 1685 155 155 LEU H H 8.635 0.008 . 1686 155 155 LEU HA H 3.782 0.003 . 1687 155 155 LEU HB2 H 1.893 0.005 . 1688 155 155 LEU HB3 H 1.509 0.000 . 1689 155 155 LEU HG H 1.889 0.000 . 1690 155 155 LEU HD1 H 0.869 0.002 . 1691 155 155 LEU HD2 H 1.010 0.001 . 1692 155 155 LEU C C 180.149 0.012 . 1693 155 155 LEU CA C 58.158 0.020 . 1694 155 155 LEU CB C 40.649 0.019 . 1695 155 155 LEU CG C 26.962 0.000 . 1696 155 155 LEU CD1 C 25.546 0.021 . 1697 155 155 LEU CD2 C 21.962 0.017 . 1698 155 155 LEU N N 118.976 0.017 . 1699 156 156 SER H H 8.211 0.002 . 1700 156 156 SER HA H 4.296 0.000 . 1701 156 156 SER HB2 H 4.099 0.000 . 1702 156 156 SER HB3 H 4.055 0.000 . 1703 156 156 SER C C 176.735 0.005 . 1704 156 156 SER CA C 61.963 0.021 . 1705 156 156 SER CB C 63.008 0.066 . 1706 156 156 SER N N 114.845 0.013 . 1707 157 157 LEU H H 7.729 0.003 . 1708 157 157 LEU HA H 4.202 0.008 . 1709 157 157 LEU HB2 H 2.044 0.000 . 1710 157 157 LEU HB3 H 1.712 0.000 . 1711 157 157 LEU HG H 1.913 0.000 . 1712 157 157 LEU HD1 H 1.027 0.001 . 1713 157 157 LEU HD2 H 1.087 0.002 . 1714 157 157 LEU C C 179.604 0.008 . 1715 157 157 LEU CA C 57.743 0.075 . 1716 157 157 LEU CB C 41.953 0.026 . 1717 157 157 LEU CG C 26.732 0.000 . 1718 157 157 LEU CD1 C 23.821 0.026 . 1719 157 157 LEU CD2 C 25.411 0.017 . 1720 157 157 LEU N N 123.610 0.016 . 1721 158 158 VAL H H 7.781 0.003 . 1722 158 158 VAL HA H 3.499 0.000 . 1723 158 158 VAL HB H 2.131 0.002 . 1724 158 158 VAL HG1 H 0.559 0.001 . 1725 158 158 VAL HG2 H 0.929 0.000 . 1726 158 158 VAL C C 178.215 0.014 . 1727 158 158 VAL CA C 66.426 0.004 . 1728 158 158 VAL CB C 31.730 0.082 . 1729 158 158 VAL CG1 C 23.361 0.000 . 1730 158 158 VAL CG2 C 21.657 0.000 . 1731 158 158 VAL N N 119.651 0.018 . 1732 159 159 LEU H H 7.819 0.003 . 1733 159 159 LEU HA H 4.230 0.000 . 1734 159 159 LEU HB2 H 1.870 0.000 . 1735 159 159 LEU HB3 H 1.744 0.000 . 1736 159 159 LEU HG H 1.814 0.000 . 1737 159 159 LEU HD1 H 1.005 0.001 . 1738 159 159 LEU HD2 H 0.973 0.000 . 1739 159 159 LEU C C 179.396 0.011 . 1740 159 159 LEU CA C 57.742 0.038 . 1741 159 159 LEU CB C 41.785 0.022 . 1742 159 159 LEU CG C 27.046 0.000 . 1743 159 159 LEU CD1 C 24.959 0.025 . 1744 159 159 LEU CD2 C 23.827 0.000 . 1745 159 159 LEU N N 120.412 0.026 . 1746 160 160 LYS H H 7.883 0.002 . 1747 160 160 LYS HA H 4.243 0.000 . 1748 160 160 LYS HB2 H 2.038 0.000 . 1749 160 160 LYS HB3 H 2.038 0.000 . 1750 160 160 LYS HG2 H 1.663 0.006 . 1751 160 160 LYS HG3 H 1.572 0.000 . 1752 160 160 LYS HE2 H 3.080 0.000 . 1753 160 160 LYS HE3 H 3.080 0.000 . 1754 160 160 LYS C C 178.768 0.003 . 1755 160 160 LYS CA C 58.560 0.056 . 1756 160 160 LYS CB C 32.295 0.044 . 1757 160 160 LYS CG C 25.120 0.064 . 1758 160 160 LYS N N 119.426 0.006 . 1759 161 161 GLN H H 8.134 0.003 . 1760 161 161 GLN HA H 4.253 0.003 . 1761 161 161 GLN HB2 H 2.331 0.000 . 1762 161 161 GLN HB3 H 2.271 0.000 . 1763 161 161 GLN HG2 H 2.596 0.000 . 1764 161 161 GLN HG3 H 2.431 0.000 . 1765 161 161 GLN HE21 H 7.650 0.000 . 1766 161 161 GLN HE22 H 7.220 0.000 . 1767 161 161 GLN C C 178.238 0.003 . 1768 161 161 GLN CA C 58.665 0.016 . 1769 161 161 GLN CB C 29.213 0.025 . 1770 161 161 GLN CG C 34.806 0.000 . 1771 161 161 GLN N N 119.715 0.006 . 1772 161 161 GLN NE2 N 112.057 0.031 . 1773 162 162 GLU H H 8.346 0.004 . 1774 162 162 GLU HA H 4.235 0.013 . 1775 162 162 GLU HB2 H 2.277 0.000 . 1776 162 162 GLU HB3 H 2.223 0.000 . 1777 162 162 GLU HG2 H 2.505 0.000 . 1778 162 162 GLU HG3 H 2.378 0.001 . 1779 162 162 GLU C C 178.720 0.008 . 1780 162 162 GLU CA C 58.948 0.003 . 1781 162 162 GLU CB C 29.804 0.067 . 1782 162 162 GLU CG C 36.494 0.010 . 1783 162 162 GLU N N 120.453 0.006 . 1784 163 163 GLU H H 8.248 0.002 . 1785 163 163 GLU HA H 4.204 0.002 . 1786 163 163 GLU HB2 H 2.240 0.000 . 1787 163 163 GLU HB3 H 2.240 0.000 . 1788 163 163 GLU HG2 H 2.491 0.000 . 1789 163 163 GLU HG3 H 2.383 0.000 . 1790 163 163 GLU C C 178.674 0.002 . 1791 163 163 GLU CA C 58.818 0.006 . 1792 163 163 GLU CB C 29.869 0.036 . 1793 163 163 GLU CG C 36.474 0.005 . 1794 163 163 GLU N N 119.618 0.013 . 1795 164 164 GLN H H 8.124 0.002 . 1796 164 164 GLN HA H 4.288 0.001 . 1797 164 164 GLN HB2 H 2.275 0.000 . 1798 164 164 GLN HB3 H 2.275 0.000 . 1799 164 164 GLN HG2 H 2.582 0.000 . 1800 164 164 GLN HG3 H 2.506 0.002 . 1801 164 164 GLN HE21 H 7.639 0.000 . 1802 164 164 GLN HE22 H 6.902 0.000 . 1803 164 164 GLN C C 177.551 0.011 . 1804 164 164 GLN CA C 57.805 0.021 . 1805 164 164 GLN CB C 28.843 0.007 . 1806 164 164 GLN CG C 34.019 0.033 . 1807 164 164 GLN N N 119.104 0.021 . 1808 164 164 GLN NE2 N 111.928 0.026 . 1809 165 165 ARG H H 8.138 0.003 . 1810 165 165 ARG HA H 4.312 0.000 . 1811 165 165 ARG HB2 H 2.011 0.000 . 1812 165 165 ARG HB3 H 2.011 0.000 . 1813 165 165 ARG HG2 H 1.890 0.000 . 1814 165 165 ARG HG3 H 1.771 0.003 . 1815 165 165 ARG HD2 H 3.323 0.000 . 1816 165 165 ARG HD3 H 3.323 0.000 . 1817 165 165 ARG C C 177.758 0.032 . 1818 165 165 ARG CA C 57.954 0.004 . 1819 165 165 ARG CB C 30.521 0.004 . 1820 165 165 ARG CG C 27.670 0.019 . 1821 165 165 ARG N N 119.763 0.020 . 1822 166 166 LYS H H 8.101 0.003 . 1823 166 166 LYS HA H 4.355 0.006 . 1824 166 166 LYS HB2 H 2.012 0.006 . 1825 166 166 LYS HB3 H 2.012 0.006 . 1826 166 166 LYS HG2 H 1.679 0.000 . 1827 166 166 LYS HG3 H 1.552 0.000 . 1828 166 166 LYS C C 177.902 0.007 . 1829 166 166 LYS CA C 58.021 0.018 . 1830 166 166 LYS CB C 32.827 0.014 . 1831 166 166 LYS CG C 25.239 0.010 . 1832 166 166 LYS N N 120.257 0.030 . 1833 167 167 THR H H 8.069 0.004 . 1834 167 167 THR HA H 4.351 0.002 . 1835 167 167 THR HB H 4.401 0.004 . 1836 167 167 THR HG2 H 1.341 0.001 . 1837 167 167 THR C C 175.343 0.003 . 1838 167 167 THR CA C 63.447 0.031 . 1839 167 167 THR CB C 69.730 0.017 . 1840 167 167 THR CG2 C 21.800 0.070 . 1841 167 167 THR N N 114.182 0.017 . 1842 168 168 GLU H H 8.323 0.003 . 1843 168 168 GLU HA H 4.328 0.000 . 1844 168 168 GLU HB2 H 2.181 0.000 . 1845 168 168 GLU HB3 H 2.114 0.000 . 1846 168 168 GLU HG2 H 2.444 0.009 . 1847 168 168 GLU HG3 H 2.444 0.009 . 1848 168 168 GLU C C 176.790 0.013 . 1849 168 168 GLU CA C 57.452 0.024 . 1850 168 168 GLU CB C 30.148 0.003 . 1851 168 168 GLU N N 122.433 0.012 . 1852 169 169 ALA H H 8.169 0.003 . 1853 169 169 ALA HA H 4.357 0.000 . 1854 169 169 ALA HB H 1.514 0.001 . 1855 169 169 ALA C C 177.972 0.003 . 1856 169 169 ALA CA C 53.216 0.007 . 1857 169 169 ALA CB C 19.167 0.043 . 1858 169 169 ALA N N 123.289 0.016 . 1859 170 170 ALA H H 8.094 0.002 . 1860 170 170 ALA HA H 4.366 0.000 . 1861 170 170 ALA HB H 1.476 0.000 . 1862 170 170 ALA C C 178.151 0.003 . 1863 170 170 ALA CA C 53.180 0.004 . 1864 170 170 ALA CB C 19.227 0.047 . 1865 170 170 ALA N N 122.098 0.022 . 1866 171 171 VAL H H 7.893 0.002 . 1867 171 171 VAL HA H 4.085 0.015 . 1868 171 171 VAL HB H 2.054 0.002 . 1869 171 171 VAL HG1 H 0.931 0.001 . 1870 171 171 VAL HG2 H 0.832 0.004 . 1871 171 171 VAL C C 176.331 0.002 . 1872 171 171 VAL CA C 63.120 0.051 . 1873 171 171 VAL CB C 32.729 0.055 . 1874 171 171 VAL CG1 C 20.790 0.022 . 1875 171 171 VAL CG2 C 21.211 0.020 . 1876 171 171 VAL N N 117.615 0.009 . 1877 172 172 PHE H H 8.164 0.001 . 1878 172 172 PHE HA H 4.709 0.000 . 1879 172 172 PHE HB2 H 3.236 0.006 . 1880 172 172 PHE HB3 H 3.083 0.007 . 1881 172 172 PHE HD1 H 7.301 0.004 . 1882 172 172 PHE HD2 H 7.301 0.004 . 1883 172 172 PHE C C 176.071 0.027 . 1884 172 172 PHE CA C 58.074 0.018 . 1885 172 172 PHE CB C 39.587 0.093 . 1886 172 172 PHE CD1 C 131.777 0.165 . 1887 172 172 PHE N N 121.681 0.006 . 1888 173 173 GLN H H 8.313 0.005 . 1889 173 173 GLN HA H 4.379 0.002 . 1890 173 173 GLN HB2 H 2.192 0.000 . 1891 173 173 GLN HB3 H 2.064 0.000 . 1892 173 173 GLN HG2 H 2.411 0.000 . 1893 173 173 GLN HG3 H 2.411 0.000 . 1894 173 173 GLN HE21 H 7.533 0.000 . 1895 173 173 GLN HE22 H 6.902 0.000 . 1896 173 173 GLN C C 175.854 0.010 . 1897 173 173 GLN CA C 56.302 0.038 . 1898 173 173 GLN CB C 29.432 0.007 . 1899 173 173 GLN CG C 33.833 0.000 . 1900 173 173 GLN N N 121.098 0.010 . 1901 173 173 GLN NE2 N 111.972 0.018 . 1902 174 174 ASN H H 8.458 0.004 . 1903 174 174 ASN HA H 4.728 0.000 . 1904 174 174 ASN HB2 H 2.953 0.000 . 1905 174 174 ASN HB3 H 2.879 0.000 . 1906 174 174 ASN C C 175.853 0.003 . 1907 174 174 ASN CA C 53.808 0.016 . 1908 174 174 ASN CB C 38.931 0.004 . 1909 174 174 ASN N N 119.167 0.009 . 1910 175 175 GLY H H 8.417 0.004 . 1911 175 175 GLY HA2 H 4.033 0.000 . 1912 175 175 GLY HA3 H 4.033 0.000 . 1913 175 175 GLY C C 174.143 0.002 . 1914 175 175 GLY CA C 45.827 0.008 . 1915 175 175 GLY N N 108.907 0.006 . 1916 176 176 LYS H H 8.073 0.002 . 1917 176 176 LYS HA H 4.399 0.000 . 1918 176 176 LYS HB2 H 1.910 0.000 . 1919 176 176 LYS HB3 H 1.841 0.004 . 1920 176 176 LYS HG2 H 1.484 0.000 . 1921 176 176 LYS HG3 H 1.468 0.000 . 1922 176 176 LYS HD2 H 1.749 0.000 . 1923 176 176 LYS HD3 H 1.749 0.000 . 1924 176 176 LYS HE2 H 3.071 0.000 . 1925 176 176 LYS HE3 H 3.071 0.000 . 1926 176 176 LYS C C 176.502 0.002 . 1927 176 176 LYS CA C 56.544 0.034 . 1928 176 176 LYS CB C 33.280 0.033 . 1929 176 176 LYS CG C 24.811 0.000 . 1930 176 176 LYS CD C 29.151 0.046 . 1931 176 176 LYS CE C 42.358 0.000 . 1932 176 176 LYS N N 120.578 0.005 . 1933 177 177 LEU H H 8.370 0.008 . 1934 177 177 LEU HA H 4.384 0.003 . 1935 177 177 LEU HB2 H 1.682 0.000 . 1936 177 177 LEU HB3 H 1.638 0.000 . 1937 177 177 LEU HG H 1.659 0.001 . 1938 177 177 LEU HD1 H 0.943 0.003 . 1939 177 177 LEU HD2 H 0.882 0.000 . 1940 177 177 LEU C C 177.397 0.008 . 1941 177 177 LEU CA C 55.590 0.013 . 1942 177 177 LEU CB C 42.465 0.024 . 1943 177 177 LEU CG C 27.216 0.032 . 1944 177 177 LEU CD1 C 25.051 0.066 . 1945 177 177 LEU CD2 C 23.868 0.059 . 1946 177 177 LEU N N 122.969 0.021 . 1947 178 178 GLU H H 8.444 0.005 . 1948 178 178 GLU HA H 4.367 0.003 . 1949 178 178 GLU HB2 H 2.137 0.000 . 1950 178 178 GLU HB3 H 2.034 0.000 . 1951 178 178 GLU HG2 H 2.345 0.000 . 1952 178 178 GLU HG3 H 2.345 0.000 . 1953 178 178 GLU C C 176.695 0.002 . 1954 178 178 GLU CA C 56.933 0.028 . 1955 178 178 GLU CB C 30.359 0.010 . 1956 178 178 GLU CG C 36.353 0.000 . 1957 178 178 GLU N N 121.846 0.027 . 1958 179 179 ARG H H 8.314 0.002 . 1959 179 179 ARG HA H 4.326 0.000 . 1960 179 179 ARG HB2 H 1.939 0.000 . 1961 179 179 ARG HB3 H 1.889 0.000 . 1962 179 179 ARG HG2 H 1.713 0.000 . 1963 179 179 ARG HG3 H 1.713 0.000 . 1964 179 179 ARG HD2 H 3.278 0.000 . 1965 179 179 ARG HD3 H 3.278 0.000 . 1966 179 179 ARG C C 176.537 0.002 . 1967 179 179 ARG CA C 56.715 0.056 . 1968 179 179 ARG CB C 30.929 0.011 . 1969 179 179 ARG CG C 27.269 0.039 . 1970 179 179 ARG CD C 43.553 0.016 . 1971 179 179 ARG N N 121.172 0.028 . 1972 180 180 GLU H H 8.524 0.004 . 1973 180 180 GLU HA H 4.290 0.004 . 1974 180 180 GLU HB2 H 2.109 0.000 . 1975 180 180 GLU HB3 H 2.035 0.000 . 1976 180 180 GLU HG2 H 2.347 0.000 . 1977 180 180 GLU HG3 H 2.347 0.000 . 1978 180 180 GLU C C 176.387 0.004 . 1979 180 180 GLU CA C 57.264 0.035 . 1980 180 180 GLU CB C 30.237 0.011 . 1981 180 180 GLU CG C 36.528 0.000 . 1982 180 180 GLU N N 120.895 0.020 . 1983 181 181 ASN H H 8.347 0.004 . 1984 181 181 ASN HA H 4.719 0.000 . 1985 181 181 ASN HB2 H 2.830 0.000 . 1986 181 181 ASN HB3 H 2.771 0.000 . 1987 181 181 ASN HD21 H 7.605 0.000 . 1988 181 181 ASN HD22 H 6.942 0.000 . 1989 181 181 ASN C C 174.859 0.004 . 1990 181 181 ASN CA C 53.565 0.003 . 1991 181 181 ASN CB C 39.142 0.004 . 1992 181 181 ASN N N 118.664 0.027 . 1993 181 181 ASN ND2 N 112.568 0.007 . 1994 182 182 LEU H H 8.012 0.003 . 1995 182 182 LEU HA H 4.269 0.005 . 1996 182 182 LEU HB2 H 1.524 0.002 . 1997 182 182 LEU HB3 H 1.364 0.003 . 1998 182 182 LEU HG H 1.513 0.001 . 1999 182 182 LEU HD1 H 0.849 0.000 . 2000 182 182 LEU HD2 H 0.779 0.000 . 2001 182 182 LEU C C 176.454 0.002 . 2002 182 182 LEU CA C 55.403 0.021 . 2003 182 182 LEU CB C 42.599 0.007 . 2004 182 182 LEU CG C 26.968 0.013 . 2005 182 182 LEU CD1 C 25.061 0.077 . 2006 182 182 LEU CD2 C 23.691 0.046 . 2007 182 182 LEU N N 121.662 0.012 . 2008 183 183 TYR H H 7.956 0.003 . 2009 183 183 TYR HA H 4.517 0.000 . 2010 183 183 TYR HB2 H 2.914 0.000 . 2011 183 183 TYR HB3 H 2.836 0.000 . 2012 183 183 TYR HD1 H 7.068 0.005 . 2013 183 183 TYR HD2 H 7.068 0.005 . 2014 183 183 TYR HE1 H 6.841 0.001 . 2015 183 183 TYR HE2 H 6.841 0.001 . 2016 183 183 TYR C C 175.148 0.005 . 2017 183 183 TYR CA C 57.960 0.045 . 2018 183 183 TYR CB C 39.050 0.000 . 2019 183 183 TYR CD1 C 133.100 0.117 . 2020 183 183 TYR CE1 C 118.365 0.000 . 2021 183 183 TYR N N 119.578 0.013 . 2022 184 184 PHE H H 8.108 0.005 . 2023 184 184 PHE HA H 4.579 0.007 . 2024 184 184 PHE HB2 H 3.084 0.000 . 2025 184 184 PHE HB3 H 2.873 0.000 . 2026 184 184 PHE HD1 H 7.062 0.002 . 2027 184 184 PHE HD2 H 7.062 0.002 . 2028 184 184 PHE HE1 H 6.865 0.000 . 2029 184 184 PHE HE2 H 6.865 0.000 . 2030 184 184 PHE C C 174.577 0.002 . 2031 184 184 PHE CA C 57.731 0.045 . 2032 184 184 PHE CB C 39.549 0.013 . 2033 184 184 PHE CD1 C 131.475 0.216 . 2034 184 184 PHE CE1 C 129.240 0.000 . 2035 184 184 PHE N N 121.033 0.009 . 2036 185 185 GLN H H 7.717 0.003 . 2037 185 185 GLN HA H 4.182 0.000 . 2038 185 185 GLN HB2 H 2.145 0.000 . 2039 185 185 GLN HB3 H 1.969 0.000 . 2040 185 185 GLN HG2 H 2.319 0.003 . 2041 185 185 GLN HG3 H 2.319 0.003 . 2042 185 185 GLN C C 180.313 0.000 . 2043 185 185 GLN CA C 57.591 0.054 . 2044 185 185 GLN CB C 30.683 0.000 . 2045 185 185 GLN CG C 34.421 0.000 . 2046 185 185 GLN N N 126.048 0.004 . stop_ save_