data_18627 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Chemical Shift Assignments for Calcium free, Myristoylated Visinin-like protein 3 ; _BMRB_accession_number 18627 _BMRB_flat_file_name bmr18627.str _Entry_type original _Submission_date 2012-07-31 _Accession_date 2012-07-31 _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 Li Congmin . . 2 Ames James B. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 939 "13C chemical shifts" 599 "15N chemical shifts" 174 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-09-16 update PDB 'update residue to Lys130' 2014-05-13 update BMRB 'update entry citation' 2013-02-14 original author 'original release' stop_ _Original_release_date 2016-09-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; H, 13C, and 15N chemical shift assignments of neuronal calcium sensor protein, hippocalcin. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23250791 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Congmin . . 2 Ames James B. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 8 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 63 _Page_last 66 _Year 2014 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'VILIP-3 monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'VILIP-3 monomer' $Myristoylated_VILIP-3 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_Myristoylated_VILIP-3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'VILIP-3 monomer' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 193 _Mol_residue_sequence ; MGKQNSKLRPEVLQDLRENT EFTDHELQEWYKGFLKDCPT GHLTVDEFKKIYANFFPYGD ASKFAEHVFRTFDTNGDGTI DFREFIIALSVTSRGKLEQK LKWAFSMYDLDGNGYISRSE MLEIVQAIYKMVSSVMKMPE DESTPEKRTDKIFRQMDTNN DGKLSLEEFIRGAKSDPSIV RLLQCDPSSASQF ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 LYS 4 GLN 5 ASN 6 SER 7 LYS 8 LEU 9 ARG 10 PRO 11 GLU 12 VAL 13 LEU 14 GLN 15 ASP 16 LEU 17 ARG 18 GLU 19 ASN 20 THR 21 GLU 22 PHE 23 THR 24 ASP 25 HIS 26 GLU 27 LEU 28 GLN 29 GLU 30 TRP 31 TYR 32 LYS 33 GLY 34 PHE 35 LEU 36 LYS 37 ASP 38 CYS 39 PRO 40 THR 41 GLY 42 HIS 43 LEU 44 THR 45 VAL 46 ASP 47 GLU 48 PHE 49 LYS 50 LYS 51 ILE 52 TYR 53 ALA 54 ASN 55 PHE 56 PHE 57 PRO 58 TYR 59 GLY 60 ASP 61 ALA 62 SER 63 LYS 64 PHE 65 ALA 66 GLU 67 HIS 68 VAL 69 PHE 70 ARG 71 THR 72 PHE 73 ASP 74 THR 75 ASN 76 GLY 77 ASP 78 GLY 79 THR 80 ILE 81 ASP 82 PHE 83 ARG 84 GLU 85 PHE 86 ILE 87 ILE 88 ALA 89 LEU 90 SER 91 VAL 92 THR 93 SER 94 ARG 95 GLY 96 LYS 97 LEU 98 GLU 99 GLN 100 LYS 101 LEU 102 LYS 103 TRP 104 ALA 105 PHE 106 SER 107 MET 108 TYR 109 ASP 110 LEU 111 ASP 112 GLY 113 ASN 114 GLY 115 TYR 116 ILE 117 SER 118 ARG 119 SER 120 GLU 121 MET 122 LEU 123 GLU 124 ILE 125 VAL 126 GLN 127 ALA 128 ILE 129 TYR 130 LYS 131 MET 132 VAL 133 SER 134 SER 135 VAL 136 MET 137 LYS 138 MET 139 PRO 140 GLU 141 ASP 142 GLU 143 SER 144 THR 145 PRO 146 GLU 147 LYS 148 ARG 149 THR 150 ASP 151 LYS 152 ILE 153 PHE 154 ARG 155 GLN 156 MET 157 ASP 158 THR 159 ASN 160 ASN 161 ASP 162 GLY 163 LYS 164 LEU 165 SER 166 LEU 167 GLU 168 GLU 169 PHE 170 ILE 171 ARG 172 GLY 173 ALA 174 LYS 175 SER 176 ASP 177 PRO 178 SER 179 ILE 180 VAL 181 ARG 182 LEU 183 LEU 184 GLN 185 CYS 186 ASP 187 PRO 188 SER 189 SER 190 ALA 191 SER 192 GLN 193 PHE 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 $Myristoylated_VILIP-3 Human 9606 Eukaryota Metazoa Homo sapiens 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 $Myristoylated_VILIP-3 'recombinant technology' . Escherichia coli . pET3d 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Myristoylated_VILIP-3 . mM 0.5 1 '[U-100% 15N]' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Myristoylated_VILIP-3 0.5-1 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Myristoylated_VILIP-3 0.5-1 mM '[U-100% 13C; U-100% 15N]' D2O 100 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Myristoylated_VILIP-3 0.5-1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_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_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 7.4 . pH pressure 1 . atm temperature 310 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'VILIP-3 monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 GLY H H 8.011 0.02 1 2 2 2 GLY HA2 H 3.881 0.02 1 3 2 2 GLY HA3 H 3.881 0.02 1 4 2 2 GLY C C 174.389 0.3 1 5 2 2 GLY CA C 45.370 0.3 1 6 2 2 GLY N N 111.816 0.3 1 7 3 3 LYS H H 8.118 0.02 1 8 3 3 LYS HA H 4.309 0.02 1 9 3 3 LYS HB2 H 1.776 0.02 2 10 3 3 LYS HB3 H 1.776 0.02 2 11 3 3 LYS C C 176.562 0.3 1 12 3 3 LYS CA C 56.286 0.3 1 13 3 3 LYS CB C 32.826 0.3 1 14 3 3 LYS N N 120.318 0.3 1 15 4 4 GLN H H 8.355 0.02 1 16 4 4 GLN HA H 4.307 0.03 1 17 4 4 GLN HB2 H 2.058 0.02 2 18 4 4 GLN HB3 H 1.838 0.02 2 19 4 4 GLN C C 175.561 0.3 1 20 4 4 GLN CA C 55.092 0.3 1 21 4 4 GLN CB C 29.511 0.3 1 22 4 4 GLN N N 120.715 0.3 1 23 5 5 ASN H H 8.608 0.02 1 24 5 5 ASN HA H 4.711 0.02 1 25 5 5 ASN C C 175.423 0.3 1 26 5 5 ASN CA C 53.118 0.3 1 27 5 5 ASN CB C 38.292 0.3 1 28 5 5 ASN N N 119.699 0.3 1 29 6 6 SER HA H 4.620 0.02 1 30 6 6 SER HB2 H 4.002 0.02 2 31 6 6 SER HB3 H 4.002 0.02 2 32 7 7 LYS H H 8.318 0.02 1 33 7 7 LYS HA H 4.377 0.02 1 34 7 7 LYS HB2 H 1.935 0.02 2 35 7 7 LYS HB3 H 1.935 0.02 2 36 7 7 LYS C C 177.009 0.3 1 37 7 7 LYS CA C 56.619 0.3 1 38 7 7 LYS CB C 32.397 0.3 1 39 7 7 LYS N N 120.457 0.3 1 40 8 8 LEU H H 7.699 0.02 1 41 8 8 LEU HA H 4.093 0.02 1 42 8 8 LEU HB2 H 1.366 0.02 1 43 8 8 LEU HB3 H 1.702 0.02 1 44 8 8 LEU HG H 1.546 0.02 1 45 8 8 LEU HD1 H 0.931 0.02 2 46 8 8 LEU HD2 H 0.759 0.02 2 47 8 8 LEU C C 175.507 0.3 1 48 8 8 LEU CA C 55.390 0.3 1 49 8 8 LEU CB C 43.042 0.3 1 50 8 8 LEU CG C 26.967 0.3 1 51 8 8 LEU CD1 C 24.875 0.3 1 52 8 8 LEU CD2 C 23.375 0.3 1 53 8 8 LEU N N 120.823 0.3 1 54 9 9 ARG H H 8.410 0.02 1 55 9 9 ARG HA H 4.453 0.02 1 56 9 9 ARG HB2 H 1.880 0.02 2 57 9 9 ARG HB3 H 1.749 0.02 2 58 9 9 ARG HG2 H 1.622 0.02 2 59 9 9 ARG HG3 H 1.179 0.02 2 60 9 9 ARG HD2 H 3.270 0.02 2 61 9 9 ARG HD3 H 3.213 0.02 2 62 9 9 ARG C C 173.006 0.3 1 63 9 9 ARG CA C 52.782 0.3 1 64 9 9 ARG CB C 30.609 0.3 1 65 9 9 ARG N N 119.614 0.02 1 66 13 13 LEU H H 9.250 0.02 1 67 13 13 LEU HA H 3.700 0.02 1 68 13 13 LEU HB2 H 1.776 0.02 2 69 13 13 LEU HB3 H 1.776 0.02 2 70 13 13 LEU C C 177.929 0.3 1 71 13 13 LEU N N 121.440 0.3 1 72 14 14 GLN H H 7.851 0.02 1 73 14 14 GLN HA H 4.129 0.02 1 74 14 14 GLN C C 177.855 0.3 1 75 14 14 GLN CA C 58.929 0.3 1 76 14 14 GLN CB C 30.097 0.3 1 77 14 14 GLN N N 117.884 0.3 1 78 16 16 LEU H H 7.939 0.02 1 79 16 16 LEU HA H 4.229 0.3 1 80 16 16 LEU HB2 H 1.728 0.02 2 81 16 16 LEU HB3 H 1.911 0.02 2 82 16 16 LEU HG H 1.651 0.02 1 83 16 16 LEU HD1 H 1.065 0.02 1 84 16 16 LEU HD2 H 0.735 0.02 1 85 16 16 LEU C C 175.637 0.3 1 86 16 16 LEU CA C 55.689 0.3 1 87 16 16 LEU CB C 41.924 0.3 1 88 16 16 LEU CD1 C 26.629 0.3 1 89 16 16 LEU CD2 C 23.962 0.3 1 90 16 16 LEU N N 120.678 0.3 1 91 19 19 ASN H H 7.633 0.02 1 92 19 19 ASN HA H 4.958 0.3 1 93 19 19 ASN HB2 H 2.975 0.02 2 94 19 19 ASN HB3 H 2.459 0.02 2 95 19 19 ASN C C 174.300 0.3 1 96 19 19 ASN CA C 53.844 0.3 1 97 19 19 ASN CB C 41.417 0.3 1 98 19 19 ASN N N 115.398 0.3 1 99 20 20 THR H H 7.568 0.02 1 100 20 20 THR HA H 4.253 0.02 1 101 20 20 THR HB H 3.799 0.02 1 102 20 20 THR HG2 H 0.934 0.02 1 103 20 20 THR C C 173.478 0.3 1 104 20 20 THR CA C 61.537 0.3 1 105 20 20 THR CB C 70.277 0.3 1 106 20 20 THR CG2 C 21.926 0.3 1 107 20 20 THR N N 112.064 0.3 1 108 21 21 GLU H H 8.179 0.02 1 109 21 21 GLU HA H 4.305 0.02 1 110 21 21 GLU HB2 H 1.831 0.02 2 111 21 21 GLU HB3 H 1.948 0.02 2 112 21 21 GLU HG2 H 2.182 0.02 2 113 21 21 GLU HG3 H 2.123 0.02 2 114 21 21 GLU C C 174.707 0.3 1 115 21 21 GLU CA C 55.897 0.3 1 116 21 21 GLU CB C 31.300 0.3 1 117 21 21 GLU CG C 36.200 0.3 1 118 21 21 GLU N N 122.867 0.3 1 119 22 22 PHE H H 7.505 0.02 1 120 22 22 PHE HA H 4.919 0.02 1 121 22 22 PHE HB2 H 2.139 0.02 2 122 22 22 PHE HB3 H 2.621 0.02 2 123 22 22 PHE HD1 H 6.658 0.02 1 124 22 22 PHE HD2 H 6.658 0.02 1 125 22 22 PHE HE1 H 7.417 0.02 1 126 22 22 PHE HE2 H 7.417 0.02 1 127 22 22 PHE C C 175.244 0.3 1 128 22 22 PHE CA C 55.846 0.3 1 129 22 22 PHE CB C 40.191 0.3 1 130 22 22 PHE N N 120.979 0.3 1 131 23 23 THR H H 8.306 0.02 1 132 23 23 THR HA H 4.743 0.02 1 133 23 23 THR HB H 4.531 0.02 1 134 23 23 THR HG2 H 1.331 0.02 1 135 23 23 THR C C 175.089 0.3 1 136 23 23 THR CA C 60.614 0.3 1 137 23 23 THR CB C 71.407 0.3 1 138 23 23 THR CG2 C 21.784 0.3 1 139 23 23 THR N N 110.951 0.3 1 140 24 24 ASP H H 8.742 0.02 1 141 24 24 ASP HA H 4.245 0.02 1 142 24 24 ASP HB2 H 2.608 0.02 1 143 24 24 ASP HB3 H 2.608 0.02 1 144 24 24 ASP C C 177.611 0.3 1 145 24 24 ASP CA C 57.793 0.3 1 146 24 24 ASP CB C 40.052 0.3 1 147 24 24 ASP N N 120.718 0.3 1 148 25 25 HIS H H 8.385 0.02 1 149 25 25 HIS HA H 4.580 0.02 1 150 25 25 HIS HB2 H 3.236 0.02 2 151 25 25 HIS HB3 H 3.305 0.02 2 152 25 25 HIS HD1 H 7.216 0.02 1 153 25 25 HIS HD2 H 7.215 0.02 1 154 25 25 HIS C C 177.099 0.3 1 155 25 25 HIS CA C 58.854 0.3 1 156 25 25 HIS CB C 29.545 0.3 1 157 25 25 HIS N N 117.207 0.3 1 158 26 26 GLU H H 7.624 0.02 1 159 26 26 GLU HA H 4.022 0.02 1 160 26 26 GLU HB2 H 2.212 0.02 1 161 26 26 GLU HB3 H 1.918 0.02 1 162 26 26 GLU HG2 H 2.288 0.02 1 163 26 26 GLU HG3 H 2.288 0.02 1 164 26 26 GLU C C 179.426 0.3 1 165 26 26 GLU CA C 59.432 0.3 1 166 26 26 GLU CB C 30.162 0.3 1 167 26 26 GLU CG C 37.300 0.3 1 168 26 26 GLU N N 118.960 0.3 1 169 27 27 LEU H H 7.946 0.02 1 170 27 27 LEU HA H 3.986 0.02 1 171 27 27 LEU HB2 H 1.671 0.02 2 172 27 27 LEU HB3 H 1.469 0.02 2 173 27 27 LEU HG H 1.330 0.02 1 174 27 27 LEU HD1 H 0.369 0.02 1 175 27 27 LEU HD2 H 0.321 0.02 1 176 27 27 LEU C C 177.937 0.3 1 177 27 27 LEU CA C 58.510 0.3 1 178 27 27 LEU CB C 41.952 0.3 1 179 27 27 LEU CG C 26.792 0.3 1 180 27 27 LEU CD1 C 23.573 0.3 1 181 27 27 LEU CD2 C 23.890 0.3 1 182 27 27 LEU N N 120.324 0.3 1 183 28 28 GLN H H 8.089 0.02 1 184 28 28 GLN HA H 3.909 0.02 1 185 28 28 GLN HB2 H 2.146 0.02 2 186 28 28 GLN HB3 H 2.283 0.02 2 187 28 28 GLN HG2 H 2.268 0.02 2 188 28 28 GLN HG3 H 2.583 0.02 2 189 28 28 GLN C C 178.262 0.3 1 190 28 28 GLN CA C 59.906 0.3 1 191 28 28 GLN CB C 34.700 0.3 1 192 28 28 GLN N N 117.174 0.3 1 193 29 29 GLU H H 8.201 0.02 1 194 29 29 GLU HA H 3.986 0.02 1 195 29 29 GLU HB2 H 2.131 0.02 1 196 29 29 GLU HB3 H 2.131 0.02 1 197 29 29 GLU HG2 H 2.267 0.02 1 198 29 29 GLU HG3 H 2.267 0.02 1 199 29 29 GLU C C 179.752 0.3 1 200 29 29 GLU CA C 59.636 0.3 1 201 29 29 GLU CB C 29.694 0.3 1 202 29 29 GLU N N 117.228 0.3 1 203 30 30 TRP HA H 4.233 0.02 1 204 30 30 TRP HB2 H 3.419 0.02 2 205 30 30 TRP HB3 H 3.526 0.02 2 206 30 30 TRP HD1 H 7.411 0.02 1 207 30 30 TRP C C 179.214 0.3 1 208 30 30 TRP CA C 61.895 0.3 1 209 30 30 TRP CB C 29.490 0.3 1 210 30 30 TRP N N 121.643 0.3 1 211 30 30 TRP NE1 N 128.983 0.3 1 212 31 31 TYR H H 8.879 0.02 1 213 31 31 TYR HA H 4.032 0.02 1 214 31 31 TYR HB2 H 3.055 0.02 1 215 31 31 TYR HB3 H 3.192 0.02 1 216 31 31 TYR HD1 H 6.958 0.02 1 217 31 31 TYR HD2 H 6.958 0.02 1 218 31 31 TYR HE1 H 6.760 0.02 1 219 31 31 TYR HE2 H 6.760 0.02 1 220 31 31 TYR C C 176.749 0.3 1 221 31 31 TYR CA C 62.118 0.3 1 222 31 31 TYR CB C 38.798 0.3 1 223 31 31 TYR N N 120.941 0.02 1 224 32 32 LYS H H 8.333 0.02 1 225 32 32 LYS HA H 3.732 0.02 1 226 32 32 LYS HB2 H 1.835 0.02 1 227 32 32 LYS HB3 H 1.835 0.02 1 228 32 32 LYS C C 179.792 0.3 1 229 32 32 LYS CA C 60.661 0.3 1 230 32 32 LYS CB C 32.358 0.3 1 231 32 32 LYS N N 117.026 0.02 1 232 33 33 GLY H H 7.561 0.02 1 233 33 33 GLY HA2 H 3.701 0.02 1 234 33 33 GLY HA3 H 3.701 0.02 1 235 33 33 GLY C C 176.163 0.02 1 236 33 33 GLY CA C 47.023 0.02 1 237 33 33 GLY N N 105.797 0.02 1 238 34 34 PHE H H 7.871 0.02 1 239 34 34 PHE HA H 3.941 0.02 1 240 34 34 PHE HB2 H 2.754 0.02 2 241 34 34 PHE HB3 H 2.138 0.02 2 242 34 34 PHE HD1 H 6.845 0.02 1 243 34 34 PHE HD2 H 6.845 0.02 1 244 34 34 PHE HE1 H 7.153 0.02 1 245 34 34 PHE HE2 H 7.153 0.02 1 246 34 34 PHE HZ H 7.043 0.02 1 247 34 34 PHE C C 177.110 0.3 1 248 34 34 PHE CA C 60.218 0.3 1 249 34 34 PHE CB C 38.393 0.3 1 250 34 34 PHE N N 126.334 0.02 1 251 35 35 LEU H H 7.772 0.02 1 252 35 35 LEU HA H 3.594 0.02 1 253 35 35 LEU HB2 H 1.531 0.02 2 254 35 35 LEU HB3 H 1.223 0.02 2 255 35 35 LEU HG H 1.291 0.02 1 256 35 35 LEU HD1 H 0.720 0.02 1 257 35 35 LEU HD2 H 0.761 0.02 1 258 35 35 LEU C C 178.995 0.3 1 259 35 35 LEU CA C 55.944 0.3 1 260 35 35 LEU CB C 42.292 0.3 1 261 35 35 LEU CD1 C 25.703 0.3 1 262 35 35 LEU CD2 C 22.192 0.3 1 263 35 35 LEU N N 118.597 0.3 1 264 36 36 LYS H H 7.012 0.02 1 265 36 36 LYS HA H 3.848 0.02 1 266 36 36 LYS HB2 H 1.779 0.02 1 267 36 36 LYS HB3 H 1.779 0.02 1 268 36 36 LYS C C 177.660 0.3 1 269 36 36 LYS CA C 58.994 0.3 1 270 36 36 LYS CB C 31.801 0.3 1 271 36 36 LYS N N 116.738 0.3 1 272 37 37 ASP H H 6.744 0.02 1 273 37 37 ASP HA H 4.625 0.02 1 274 37 37 ASP HB2 H 2.567 0.02 2 275 37 37 ASP HB3 H 2.404 0.02 2 276 37 37 ASP C C 175.920 0.3 1 277 37 37 ASP CA C 54.978 0.3 1 278 37 37 ASP CB C 41.923 0.3 1 279 37 37 ASP N N 115.624 0.3 1 280 38 38 CYS H H 7.581 0.02 1 281 38 38 CYS HA H 4.657 0.02 1 282 38 38 CYS HB2 H 1.913 0.02 1 283 38 38 CYS HB3 H 1.821 0.02 2 284 38 38 CYS C C 172.331 0.3 1 285 38 38 CYS CA C 55.939 0.3 1 286 38 38 CYS CB C 26.298 0.3 1 287 38 38 CYS N N 120.720 0.3 1 288 39 39 PRO HA H 4.594 0.02 1 289 39 39 PRO HB2 H 2.371 0.02 2 290 39 39 PRO HB3 H 1.958 0.02 2 291 39 39 PRO HG2 H 1.979 0.02 2 292 39 39 PRO HG3 H 1.979 0.02 2 293 39 39 PRO HD2 H 3.223 0.02 1 294 39 39 PRO HD3 H 3.682 0.02 1 295 39 39 PRO CB C 32.120 0.3 1 296 39 39 PRO CD C 51.350 0.3 1 297 40 40 THR H H 8.001 0.02 1 298 40 40 THR HA H 4.411 0.02 1 299 40 40 THR HB H 4.413 0.02 1 300 40 40 THR HG2 H 1.312 0.02 1 301 40 40 THR C C 177.465 0.3 1 302 40 40 THR CA C 62.469 0.3 1 303 40 40 THR CB C 70.632 0.3 1 304 40 40 THR CG2 C 21.153 0.3 1 305 40 40 THR N N 105.566 0.3 1 306 41 41 GLY H H 8.383 0.02 1 307 41 41 GLY HA2 H 3.901 0.02 1 308 41 41 GLY HA3 H 3.901 0.02 1 309 41 41 GLY C C 172.770 0.3 1 310 41 41 GLY CA C 46.441 0.3 1 311 41 41 GLY N N 110.822 0.3 1 312 42 42 HIS H H 7.816 0.02 1 313 42 42 HIS HA H 5.800 0.02 1 314 42 42 HIS HB2 H 3.125 0.02 2 315 42 42 HIS HB3 H 2.844 0.02 2 316 42 42 HIS HD2 H 7.334 0.02 1 317 42 42 HIS C C 173.633 0.3 1 318 42 42 HIS CA C 54.529 0.3 1 319 42 42 HIS CB C 30.822 0.3 1 320 42 42 HIS N N 118.830 0.3 1 321 43 43 LEU H H 8.663 0.02 1 322 43 43 LEU HA H 5.205 0.02 1 323 43 43 LEU HB2 H 1.899 0.02 1 324 43 43 LEU HB3 H 1.899 0.02 1 325 43 43 LEU HD1 H 0.771 0.02 1 326 43 43 LEU HD2 H 1.079 0.02 1 327 43 43 LEU C C 176.509 0.3 1 328 43 43 LEU CA C 53.892 0.3 1 329 43 43 LEU CB C 46.916 0.3 1 330 43 43 LEU CD1 C 27.898 0.3 1 331 43 43 LEU CD2 C 25.693 0.3 1 332 43 43 LEU N N 120.881 0.3 1 333 44 44 THR H H 8.500 0.02 1 334 44 44 THR HA H 5.138 0.02 1 335 44 44 THR HB H 4.833 0.02 1 336 44 44 THR HG2 H 1.419 0.02 1 337 44 44 THR C C 176.285 0.3 1 338 44 44 THR CA C 60.698 0.3 1 339 44 44 THR CB C 71.845 0.3 1 340 44 44 THR CG2 C 21.975 0.3 1 341 44 44 THR N N 111.152 0.3 1 342 45 45 VAL H H 8.475 0.02 1 343 45 45 VAL HA H 3.211 0.02 1 344 45 45 VAL HB H 1.453 0.02 1 345 45 45 VAL HG1 H 0.654 0.02 1 346 45 45 VAL HG2 H 0.146 0.02 1 347 45 45 VAL C C 177.677 0.3 1 348 45 45 VAL CA C 66.667 0.3 1 349 45 45 VAL CB C 31.142 0.3 1 350 45 45 VAL CG1 C 20.441 0.3 1 351 45 45 VAL CG2 C 21.665 0.3 1 352 45 45 VAL N N 121.170 0.3 1 353 46 46 ASP H H 8.112 0.02 1 354 46 46 ASP HA H 4.322 0.02 1 355 46 46 ASP HB2 H 2.557 0.02 1 356 46 46 ASP HB3 H 2.557 0.02 1 357 46 46 ASP C C 179.433 0.3 1 358 46 46 ASP CA C 58.091 0.3 1 359 46 46 ASP CB C 40.779 0.3 1 360 46 46 ASP N N 118.657 0.3 1 361 47 47 GLU H H 7.475 0.02 1 362 47 47 GLU HA H 4.049 0.02 1 363 47 47 GLU HB2 H 2.333 0.02 2 364 47 47 GLU HB3 H 2.180 0.02 2 365 47 47 GLU HG2 H 2.433 0.02 1 366 47 47 GLU HG3 H 2.433 0.02 1 367 47 47 GLU C C 179.249 0.3 1 368 47 47 GLU CA C 58.733 0.3 1 369 47 47 GLU CB C 30.879 0.3 1 370 47 47 GLU CG C 37.200 0.3 1 371 47 47 GLU N N 119.261 0.3 1 372 48 48 PHE H H 8.961 0.02 1 373 48 48 PHE HA H 4.067 0.02 1 374 48 48 PHE HB2 H 3.582 0.02 2 375 48 48 PHE HB3 H 3.224 0.02 2 376 48 48 PHE HD1 H 7.140 0.02 1 377 48 48 PHE HD2 H 7.140 0.02 1 378 48 48 PHE HE1 H 6.926 0.02 1 379 48 48 PHE HE2 H 6.926 0.02 1 380 48 48 PHE HZ H 7.006 0.02 1 381 48 48 PHE C C 177.196 0.3 1 382 48 48 PHE CA C 62.300 0.3 1 383 48 48 PHE CB C 40.155 0.3 1 384 48 48 PHE N N 121.562 0.3 1 385 49 49 LYS H H 8.735 0.02 1 386 49 49 LYS HA H 3.828 0.02 1 387 49 49 LYS HB2 H 1.981 0.02 1 388 49 49 LYS HB3 H 1.981 0.02 1 389 49 49 LYS C C 178.580 0.3 1 390 49 49 LYS CA C 61.033 0.3 1 391 49 49 LYS CB C 32.025 0.3 1 392 49 49 LYS N N 117.666 0.3 1 393 50 50 LYS H H 7.351 0.02 1 394 50 50 LYS HA H 4.030 0.02 1 395 50 50 LYS HB2 H 1.981 0.02 1 396 50 50 LYS HB3 H 1.981 0.02 1 397 50 50 LYS C C 178.783 0.3 1 398 50 50 LYS CA C 59.841 0.3 1 399 50 50 LYS CB C 32.360 0.3 1 400 50 50 LYS N N 119.052 0.3 1 401 51 51 ILE H H 7.390 0.02 1 402 51 51 ILE HA H 3.835 0.02 1 403 51 51 ILE HB H 1.818 0.02 1 404 51 51 ILE HG12 H 1.755 0.02 1 405 51 51 ILE HG13 H 1.316 0.02 1 406 51 51 ILE HG2 H 1.082 0.02 1 407 51 51 ILE HD1 H 0.828 0.02 1 408 51 51 ILE C C 178.295 0.3 1 409 51 51 ILE CA C 64.898 0.3 1 410 51 51 ILE CB C 37.645 0.3 1 411 51 51 ILE CG2 C 17.733 0.3 1 412 51 51 ILE CD1 C 13.637 0.3 1 413 51 51 ILE N N 119.983 0.3 1 414 52 52 TYR H H 8.263 0.02 1 415 52 52 TYR HA H 3.822 0.02 1 416 52 52 TYR HB2 H 3.369 0.02 2 417 52 52 TYR HB3 H 2.615 0.02 2 418 52 52 TYR HD1 H 6.859 0.02 1 419 52 52 TYR HD2 H 6.859 0.02 1 420 52 52 TYR HE1 H 6.133 0.02 1 421 52 52 TYR HE2 H 6.133 0.02 1 422 52 52 TYR C C 176.912 0.3 1 423 52 52 TYR CA C 62.598 0.3 1 424 52 52 TYR CB C 37.957 0.3 1 425 52 52 TYR N N 119.641 0.3 1 426 53 53 ALA H H 8.202 0.02 1 427 53 53 ALA HA H 3.996 0.02 1 428 53 53 ALA HB H 1.546 0.02 1 429 53 53 ALA C C 178.295 0.3 1 430 53 53 ALA CA C 54.412 0.3 1 431 53 53 ALA CB C 18.448 0.3 1 432 53 53 ALA N N 119.770 0.3 1 433 54 54 ASN H H 7.368 0.02 1 434 54 54 ASN HA H 4.271 0.02 1 435 54 54 ASN HB2 H 2.789 0.02 1 436 54 54 ASN HB3 H 2.519 0.02 2 437 54 54 ASN C C 176.261 0.3 1 438 54 54 ASN CA C 55.464 0.3 1 439 54 54 ASN CB C 38.953 0.3 1 440 54 54 ASN N N 114.570 0.3 1 441 55 55 PHE H H 7.066 0.02 1 442 55 55 PHE HA H 3.937 0.02 1 443 55 55 PHE HB2 H 1.926 0.02 1 444 55 55 PHE HB3 H 1.442 0.02 2 445 55 55 PHE HD1 H 7.010 0.02 1 446 55 55 PHE HD2 H 7.010 0.02 1 447 55 55 PHE HE1 H 7.103 0.02 1 448 55 55 PHE HE2 H 7.103 0.02 1 449 55 55 PHE HZ H 6.746 0.02 1 450 55 55 PHE C C 174.959 0.3 1 451 55 55 PHE CA C 60.530 0.3 1 452 55 55 PHE CB C 40.303 0.3 1 453 55 55 PHE N N 116.394 0.3 1 454 56 56 PHE H H 8.342 0.02 1 455 56 56 PHE HA H 5.251 0.02 1 456 56 56 PHE HB2 H 2.822 0.02 2 457 56 56 PHE HB3 H 2.135 0.02 2 458 56 56 PHE HD1 H 6.583 0.02 1 459 56 56 PHE HD2 H 6.583 0.02 1 460 56 56 PHE HE1 H 6.884 0.02 1 461 56 56 PHE HE2 H 6.884 0.02 1 462 56 56 PHE HZ H 6.795 0.02 1 463 56 56 PHE C C 174.289 0.3 1 464 56 56 PHE CA C 54.324 0.3 1 465 56 56 PHE CB C 37.855 0.3 1 466 56 56 PHE N N 115.699 0.3 1 467 57 57 PRO HA H 4.422 0.02 1 468 57 57 PRO HB2 H 2.258 0.02 2 469 57 57 PRO HB3 H 1.335 0.02 2 470 57 57 PRO HG2 H 1.837 0.02 2 471 57 57 PRO HG3 H 1.511 0.02 2 472 57 57 PRO HD2 H 3.855 0.02 2 473 57 57 PRO HD3 H 3.131 0.02 2 474 57 57 PRO CB C 31.952 0.3 1 475 57 57 PRO CD C 50.400 0.3 1 476 58 58 TYR H H 8.810 0.02 1 477 58 58 TYR HA H 4.862 0.02 1 478 58 58 TYR HB2 H 3.357 0.02 2 479 58 58 TYR HB3 H 2.822 0.02 2 480 58 58 TYR HD1 H 7.280 0.02 1 481 58 58 TYR HD2 H 7.280 0.02 1 482 58 58 TYR HE1 H 6.872 0.02 1 483 58 58 TYR HE2 H 6.872 0.02 1 484 58 58 TYR C C 177.310 0.3 1 485 58 58 TYR CA C 57.085 0.3 1 486 58 58 TYR CB C 37.758 0.3 1 487 58 58 TYR N N 115.472 0.02 1 488 59 59 GLY H H 7.872 0.02 1 489 59 59 GLY HA2 H 4.266 0.02 1 490 59 59 GLY HA3 H 4.266 0.02 1 491 59 59 GLY C C 172.437 0.3 1 492 59 59 GLY CA C 44.476 0.3 1 493 59 59 GLY N N 106.491 0.3 1 494 60 60 ASP H H 8.778 0.02 1 495 60 60 ASP HA H 4.848 0.02 1 496 60 60 ASP HB2 H 3.064 0.02 2 497 60 60 ASP HB3 H 2.488 0.02 2 498 60 60 ASP C C 174.967 0.3 1 499 60 60 ASP CA C 52.848 0.3 1 500 60 60 ASP CB C 40.509 0.3 1 501 60 60 ASP N N 122.036 0.3 1 502 61 61 ALA H H 8.306 0.02 1 503 61 61 ALA HA H 2.788 0.02 1 504 61 61 ALA HB H 1.427 0.02 1 505 61 61 ALA C C 179.580 0.3 1 506 61 61 ALA CA C 54.519 0.3 1 507 61 61 ALA CB C 20.009 0.3 1 508 61 61 ALA N N 128.035 0.3 1 509 62 62 SER H H 8.222 0.02 1 510 62 62 SER HA H 3.958 0.02 1 511 62 62 SER C C 179.580 0.3 1 512 62 62 SER CA C 62.477 0.3 1 513 62 62 SER CB C 62.400 0.3 1 514 62 62 SER N N 112.358 0.3 1 515 63 63 LYS H H 7.763 0.02 1 516 63 63 LYS HA H 4.072 0.02 1 517 63 63 LYS HB2 H 1.851 0.02 1 518 63 63 LYS HB3 H 1.851 0.02 1 519 63 63 LYS C C 178.968 0.3 1 520 63 63 LYS CA C 59.441 0.3 1 521 63 63 LYS CB C 32.667 0.3 1 522 63 63 LYS N N 123.564 0.3 1 523 64 64 PHE H H 7.732 0.02 1 524 64 64 PHE HA H 4.475 0.02 1 525 64 64 PHE HB2 H 3.201 0.02 2 526 64 64 PHE HB3 H 2.499 0.02 2 527 64 64 PHE HD1 H 7.130 0.02 1 528 64 64 PHE HD2 H 7.130 0.02 1 529 64 64 PHE HE1 H 7.285 0.02 1 530 64 64 PHE HE2 H 7.285 0.02 1 531 64 64 PHE HZ H 7.325 0.02 1 532 64 64 PHE C C 177.652 0.3 1 533 64 64 PHE CA C 61.387 0.3 1 534 64 64 PHE CB C 40.211 0.3 1 535 64 64 PHE N N 119.361 0.3 1 536 65 65 ALA H H 8.600 0.02 1 537 65 65 ALA HA H 3.940 0.02 1 538 65 65 ALA HB H 1.528 0.02 1 539 65 65 ALA C C 178.802 0.3 1 540 65 65 ALA CA C 55.679 0.3 1 541 65 65 ALA CB C 18.616 0.3 1 542 65 65 ALA N N 118.722 0.3 1 543 66 66 GLU H H 7.958 0.02 1 544 66 66 GLU HA H 3.975 0.02 1 545 66 66 GLU HB2 H 1.854 0.02 1 546 66 66 GLU HB3 H 1.854 0.02 1 547 66 66 GLU HG2 H 2.383 0.02 2 548 66 66 GLU HG3 H 2.208 0.02 2 549 66 66 GLU C C 178.718 0.3 1 550 66 66 GLU CA C 59.925 0.3 1 551 66 66 GLU CB C 29.354 0.3 1 552 66 66 GLU CG C 36.269 0.3 1 553 66 66 GLU N N 117.704 0.3 1 554 68 68 VAL H H 8.325 0.02 1 555 68 68 VAL HA H 3.424 0.02 1 556 68 68 VAL HB H 1.767 0.02 1 557 68 68 VAL HG1 H 0.375 0.02 1 558 68 68 VAL HG2 H 0.659 0.02 1 559 68 68 VAL C C 178.148 0.3 1 560 68 68 VAL CA C 67.096 0.3 1 561 68 68 VAL CB C 32.023 0.3 1 562 68 68 VAL CG1 C 21.705 0.3 1 563 68 68 VAL CG2 C 24.404 0.3 1 564 68 68 VAL N N 120.006 0.3 1 565 69 69 PHE HA H 3.718 0.02 1 566 69 69 PHE HB2 H 3.191 0.02 2 567 69 69 PHE HB3 H 2.996 0.02 2 568 69 69 PHE HD1 H 7.259 0.02 1 569 69 69 PHE HD2 H 7.259 0.02 1 570 69 69 PHE HE1 H 6.714 0.02 1 571 69 69 PHE HE2 H 6.714 0.02 1 572 69 69 PHE HZ H 6.959 0.02 1 573 69 69 PHE CB C 37.090 0.3 1 574 71 71 THR H H 7.119 0.02 1 575 71 71 THR HA H 3.851 0.02 1 576 71 71 THR HB H 3.818 0.02 1 577 71 71 THR HG2 H 0.411 0.02 1 578 71 71 THR C C 174.666 0.3 1 579 71 71 THR CA C 65.343 0.3 1 580 71 71 THR CB C 69.433 0.3 1 581 71 71 THR CG2 C 20.977 0.3 1 582 71 71 THR N N 112.541 0.3 1 583 72 72 PHE H H 8.179 0.02 1 584 72 72 PHE HA H 4.423 0.02 1 585 72 72 PHE HB2 H 3.346 0.02 2 586 72 72 PHE HB3 H 2.484 0.02 2 587 72 72 PHE HD1 H 7.571 0.02 1 588 72 72 PHE HD2 H 7.571 0.02 1 589 72 72 PHE HE1 H 7.235 0.02 1 590 72 72 PHE HE2 H 7.235 0.02 1 591 72 72 PHE HZ H 7.116 0.02 1 592 72 72 PHE C C 176.098 0.3 1 593 72 72 PHE CA C 60.540 0.3 1 594 72 72 PHE CB C 39.743 0.3 1 595 72 72 PHE N N 115.230 0.3 1 596 73 73 ASP H H 8.367 0.02 1 597 73 73 ASP HA H 5.223 0.02 1 598 73 73 ASP HB2 H 3.191 0.02 2 599 73 73 ASP HB3 H 2.419 0.02 2 600 73 73 ASP C C 177.540 0.3 1 601 73 73 ASP CA C 53.006 0.3 1 602 73 73 ASP CB C 39.233 0.3 1 603 73 73 ASP N N 122.365 0.3 1 604 74 74 THR H H 7.977 0.02 1 605 74 74 THR HA H 4.090 0.02 1 606 74 74 THR HB H 4.251 0.02 1 607 74 74 THR HG2 H 1.188 0.02 1 608 74 74 THR C C 176.123 0.3 1 609 74 74 THR CA C 64.060 0.3 1 610 74 74 THR CB C 68.914 0.3 1 611 74 74 THR CG2 C 22.369 0.3 1 612 74 74 THR N N 115.744 0.3 1 613 75 75 ASN H H 8.817 0.02 1 614 75 75 ASN HA H 4.838 0.02 1 615 75 75 ASN HB2 H 2.853 0.02 1 616 75 75 ASN HB3 H 2.853 0.02 1 617 75 75 ASN C C 176.033 0.3 1 618 75 75 ASN CA C 53.192 0.3 1 619 75 75 ASN CB C 39.047 0.3 1 620 75 75 ASN N N 118.170 0.3 1 621 76 76 GLY H H 8.027 0.02 1 622 76 76 GLY HA2 H 3.877 0.02 1 623 76 76 GLY HA3 H 3.877 0.02 1 624 76 76 GLY C C 175.610 0.3 1 625 76 76 GLY CA C 47.223 0.3 1 626 76 76 GLY N N 110.719 0.3 1 627 77 77 ASP H H 9.521 0.02 1 628 77 77 ASP HA H 4.639 0.02 1 629 77 77 ASP HB2 H 2.875 0.02 2 630 77 77 ASP HB3 H 2.590 0.02 2 631 77 77 ASP C C 177.912 0.3 1 632 77 77 ASP CA C 55.027 0.3 1 633 77 77 ASP CB C 41.971 0.3 1 634 77 77 ASP N N 121.944 0.3 1 635 78 78 GLY H H 10.431 0.02 1 636 78 78 GLY HA2 H 3.746 0.02 1 637 78 78 GLY HA3 H 4.287 0.02 1 638 78 78 GLY C C 174.219 0.3 1 639 78 78 GLY CA C 45.542 0.3 1 640 78 78 GLY N N 111.280 0.3 1 641 79 79 THR H H 7.593 0.02 1 642 79 79 THR HA H 5.588 0.02 1 643 79 79 THR HB H 4.016 0.02 1 644 79 79 THR HG2 H 1.074 0.02 1 645 79 79 THR C C 173.209 0.3 1 646 79 79 THR CA C 59.692 0.3 1 647 79 79 THR CB C 73.102 0.3 1 648 79 79 THR CG2 C 21.581 0.3 1 649 79 79 THR N N 109.518 0.3 1 650 80 80 ILE H H 8.111 0.02 1 651 80 80 ILE HA H 4.540 0.02 1 652 80 80 ILE HB H 1.357 0.02 1 653 80 80 ILE HG12 H 1.043 0.02 1 654 80 80 ILE HG13 H 0.474 0.02 1 655 80 80 ILE HG2 H -0.145 0.02 1 656 80 80 ILE HD1 H 0.118 0.02 1 657 80 80 ILE C C 174.381 0.3 1 658 80 80 ILE CA C 58.547 0.3 1 659 80 80 ILE CB C 41.533 0.3 1 660 80 80 ILE CG2 C 17.579 0.3 1 661 80 80 ILE CD1 C 14.503 0.3 1 662 80 80 ILE N N 109.970 0.3 1 663 81 81 ASP H H 8.819 0.02 1 664 81 81 ASP HA H 4.113 0.02 1 665 81 81 ASP HB2 H 3.019 0.02 2 666 81 81 ASP HB3 H 2.215 0.02 2 667 81 81 ASP C C 176.456 0.3 1 668 81 81 ASP CA C 52.986 0.3 1 669 81 81 ASP CB C 41.440 0.3 1 670 81 81 ASP N N 122.589 0.3 1 671 82 82 PHE H H 8.887 0.02 1 672 82 82 PHE HA H 4.254 0.3 1 673 82 82 PHE HB2 H 3.148 0.02 1 674 82 82 PHE HB3 H 3.148 0.02 1 675 82 82 PHE HD1 H 6.823 0.02 1 676 82 82 PHE HD2 H 6.823 0.02 1 677 82 82 PHE HE1 H 6.921 0.02 1 678 82 82 PHE HE2 H 6.921 0.02 1 679 82 82 PHE C C 176.527 0.3 1 680 82 82 PHE CA C 60.632 0.3 1 681 82 82 PHE CB C 40.737 0.3 1 682 82 82 PHE N N 128.253 0.3 1 683 83 83 ARG H H 8.365 0.02 1 684 83 83 ARG HA H 3.561 0.02 1 685 83 83 ARG HB2 H 1.660 0.02 2 686 83 83 ARG HB3 H 2.181 0.02 2 687 83 83 ARG HG2 H 1.422 0.02 2 688 83 83 ARG HG3 H 1.145 0.02 2 689 83 83 ARG HD2 H 2.432 0.02 2 690 83 83 ARG HD3 H 2.440 0.02 2 691 83 83 ARG C C 177.241 0.3 1 692 83 83 ARG CA C 60.111 0.3 1 693 83 83 ARG CB C 29.167 0.3 1 694 83 83 ARG CD C 44.192 0.3 1 695 83 83 ARG N N 118.117 0.3 1 696 84 84 GLU HA H 4.035 0.02 1 697 84 84 GLU HB2 H 1.878 0.02 1 698 84 84 GLU HB3 H 1.878 0.02 1 699 85 85 PHE H H 7.268 0.02 1 700 85 85 PHE HA H 3.537 0.02 1 701 85 85 PHE HB2 H 2.345 0.02 2 702 85 85 PHE HB3 H 2.903 0.02 2 703 85 85 PHE HD1 H 6.450 0.02 1 704 85 85 PHE HD2 H 6.450 0.02 1 705 85 85 PHE HE1 H 7.176 0.02 1 706 85 85 PHE HE2 H 7.176 0.02 1 707 85 85 PHE HZ H 7.281 0.02 1 708 85 85 PHE C C 175.642 0.3 1 709 85 85 PHE CA C 60.959 0.3 1 710 85 85 PHE CB C 38.741 0.3 1 711 85 85 PHE N N 117.277 0.3 1 712 86 86 ILE H H 8.063 0.02 1 713 86 86 ILE HA H 3.188 0.02 1 714 86 86 ILE HB H 1.663 0.02 1 715 86 86 ILE HG12 H 1.196 0.02 1 716 86 86 ILE HG13 H 1.196 0.02 1 717 86 86 ILE HG2 H 0.661 0.02 1 718 86 86 ILE HD1 H 0.437 0.02 1 719 86 86 ILE C C 178.995 0.3 1 720 86 86 ILE CA C 63.948 0.3 1 721 86 86 ILE CB C 36.599 0.3 1 722 86 86 ILE CG2 C 18.210 0.3 1 723 86 86 ILE CD1 C 12.315 0.3 1 724 86 86 ILE N N 119.356 0.3 1 725 87 87 ILE H H 8.470 0.02 1 726 87 87 ILE HA H 3.543 0.02 1 727 87 87 ILE HB H 2.085 0.02 1 728 87 87 ILE HG12 H 1.809 0.02 1 729 87 87 ILE HG13 H 1.200 0.02 1 730 87 87 ILE HG2 H 0.930 0.02 1 731 87 87 ILE HD1 H 0.969 0.02 1 732 87 87 ILE C C 177.579 0.3 1 733 87 87 ILE CA C 65.624 0.3 1 734 87 87 ILE CB C 36.588 0.3 1 735 87 87 ILE CG2 C 17.794 0.3 1 736 87 87 ILE CD1 C 13.960 0.3 1 737 87 87 ILE N N 122.791 0.3 1 738 88 88 ALA H H 8.141 0.02 1 739 88 88 ALA HA H 3.918 0.02 1 740 88 88 ALA HB H 1.692 0.02 1 741 88 88 ALA C C 179.645 0.3 1 742 88 88 ALA CA C 55.725 0.3 1 743 88 88 ALA CB C 18.788 0.3 1 744 88 88 ALA N N 122.593 0.3 1 745 89 89 LEU H H 8.122 0.02 1 746 89 89 LEU HA H 3.818 0.02 1 747 89 89 LEU HB2 H 1.291 0.02 2 748 89 89 LEU HB3 H 1.485 0.02 2 749 89 89 LEU HG H 1.368 0.02 1 750 89 89 LEU HD1 H 0.666 0.02 1 751 89 89 LEU HD2 H 0.660 0.02 1 752 89 89 LEU C C 179.304 0.3 1 753 89 89 LEU CA C 57.373 0.3 1 754 89 89 LEU CB C 41.812 0.3 1 755 89 89 LEU CG C 26.518 0.3 1 756 89 89 LEU CD1 C 25.096 0.3 1 757 89 89 LEU CD2 C 25.187 0.3 1 758 89 89 LEU N N 117.905 0.3 1 759 90 90 SER H H 8.583 0.02 1 760 90 90 SER HA H 3.986 0.02 1 761 90 90 SER CA C 62.961 0.3 1 762 90 90 SER CB C 62.900 0.3 1 763 90 90 SER N N 116.728 0.3 1 764 91 91 VAL H H 8.159 0.02 1 765 91 91 VAL HA H 4.042 0.02 1 766 91 91 VAL HB H 2.389 0.02 1 767 91 91 VAL HG1 H 1.008 0.02 1 768 91 91 VAL HG2 H 1.114 0.02 1 769 91 91 VAL C C 176.407 0.3 1 770 91 91 VAL CA C 64.919 0.3 1 771 91 91 VAL CB C 31.167 0.3 1 772 91 91 VAL CG1 C 21.264 0.3 1 773 91 91 VAL CG2 C 20.681 0.3 1 774 91 91 VAL N N 114.558 0.3 1 775 92 92 THR H H 7.456 0.02 1 776 92 92 THR HA H 4.613 0.02 1 777 92 92 THR HB H 4.446 0.02 1 778 92 92 THR HG2 H 1.241 0.02 1 779 92 92 THR CA C 61.955 0.3 1 780 92 92 THR CB C 69.452 0.3 1 781 92 92 THR CG2 C 22.340 0.3 1 782 92 92 THR N N 108.755 0.3 1 783 93 93 SER H H 7.156 0.02 1 784 93 93 SER HA H 4.613 0.02 1 785 93 93 SER HB2 H 4.158 0.02 1 786 93 93 SER HB3 H 4.158 0.02 1 787 93 93 SER C C 173.316 0.3 1 788 93 93 SER CA C 59.106 0.3 1 789 93 93 SER CB C 64.531 0.3 1 790 93 93 SER N N 117.045 0.3 1 791 94 94 ARG H H 8.376 0.02 1 792 94 94 ARG HA H 4.503 0.02 1 793 94 94 ARG HB2 H 1.828 0.02 2 794 94 94 ARG HB3 H 1.960 0.02 2 795 94 94 ARG HG2 H 1.712 0.02 1 796 94 94 ARG HG3 H 1.712 0.02 1 797 94 94 ARG HD2 H 3.250 0.02 1 798 94 94 ARG HD3 H 3.250 0.02 1 799 94 94 ARG C C 176.489 0.3 1 800 94 94 ARG CA C 56.959 0.3 1 801 94 94 ARG CB C 30.534 0.3 1 802 94 94 ARG CD C 43.508 0.3 1 803 94 94 ARG N N 119.415 0.3 1 804 95 95 GLY H H 8.106 0.02 1 805 95 95 GLY HA2 H 4.043 0.02 1 806 95 95 GLY HA3 H 4.043 0.02 1 807 95 95 GLY C C 172.673 0.3 1 808 95 95 GLY CA C 44.709 0.3 1 809 95 95 GLY N N 108.634 0.3 1 810 96 96 LYS H H 8.372 0.02 1 811 96 96 LYS HA H 4.381 0.02 1 812 96 96 LYS HB2 H 2.063 0.02 2 813 96 96 LYS HB3 H 1.695 0.02 2 814 96 96 LYS C C 177.668 0.3 1 815 96 96 LYS CA C 55.822 0.3 1 816 96 96 LYS CB C 33.785 0.3 1 817 96 96 LYS N N 119.197 0.3 1 818 97 97 LEU H H 8.826 0.02 1 819 97 97 LEU HA H 3.725 0.02 1 820 97 97 LEU HB2 H 1.659 0.02 2 821 97 97 LEU HB3 H 1.752 0.02 2 822 97 97 LEU HG H 1.490 0.02 1 823 97 97 LEU HD1 H 0.892 0.02 1 824 97 97 LEU HD2 H 0.796 0.02 1 825 97 97 LEU C C 177.701 0.3 1 826 97 97 LEU CA C 60.312 0.3 1 827 97 97 LEU CB C 41.966 0.3 1 828 97 97 LEU CD1 C 26.595 0.3 1 829 97 97 LEU CD2 C 26.288 0.3 1 830 97 97 LEU N N 124.811 0.3 1 831 98 98 GLU H H 9.510 0.02 1 832 98 98 GLU HA H 3.592 0.02 1 833 98 98 GLU HB2 H 1.934 0.02 1 834 98 98 GLU HB3 H 1.934 0.02 1 835 98 98 GLU HG2 H 2.447 0.02 2 836 98 98 GLU HG3 H 2.064 0.02 2 837 98 98 GLU C C 178.173 0.3 1 838 98 98 GLU CA C 61.415 0.3 1 839 98 98 GLU CB C 28.412 0.3 1 840 98 98 GLU CG C 38.122 0.3 1 841 98 98 GLU N N 115.384 0.3 1 842 99 99 GLN H H 6.756 0.02 1 843 99 99 GLN HA H 3.699 0.02 1 844 99 99 GLN HB2 H 1.636 0.02 2 845 99 99 GLN HB3 H 1.887 0.02 2 846 99 99 GLN HG2 H 1.825 0.02 2 847 99 99 GLN HG3 H 1.903 0.02 2 848 99 99 GLN C C 176.619 0.3 1 849 99 99 GLN CA C 58.194 0.3 1 850 99 99 GLN CB C 28.831 0.3 1 851 99 99 GLN N N 118.371 0.3 1 852 100 100 LYS H H 7.641 0.02 1 853 100 100 LYS HA H 3.676 0.02 1 854 100 100 LYS HB2 H 1.825 0.02 1 855 100 100 LYS HB3 H 1.825 0.02 1 856 100 100 LYS HE2 H 2.873 0.02 1 857 100 100 LYS HE3 H 2.708 0.02 1 858 100 100 LYS C C 178.872 0.3 1 859 100 100 LYS CA C 59.581 0.3 1 860 100 100 LYS CB C 33.395 0.3 1 861 100 100 LYS N N 117.995 0.3 1 862 101 101 LEU H H 7.669 0.02 1 863 101 101 LEU HA H 4.132 0.02 1 864 101 101 LEU HB2 H 1.331 0.02 2 865 101 101 LEU HB3 H 1.758 0.02 2 866 101 101 LEU HG H 1.551 0.02 1 867 101 101 LEU HD1 H 0.572 0.02 1 868 101 101 LEU HD2 H 0.538 0.02 1 869 101 101 LEU C C 178.401 0.3 1 870 101 101 LEU CA C 57.578 0.3 1 871 101 101 LEU CB C 41.421 0.3 1 872 101 101 LEU CD1 C 27.206 0.3 1 873 101 101 LEU CD2 C 21.643 0.3 1 874 101 101 LEU N N 115.427 0.3 1 875 102 102 LYS H H 7.668 0.02 1 876 102 102 LYS HA H 4.035 0.02 1 877 102 102 LYS C C 179.361 0.3 1 878 102 102 LYS CA C 60.307 0.3 1 879 102 102 LYS CB C 31.931 0.3 1 880 102 102 LYS N N 120.206 0.3 1 881 103 103 TRP H H 8.397 0.02 1 882 103 103 TRP HA H 4.518 0.02 1 883 103 103 TRP HB2 H 3.083 0.02 2 884 103 103 TRP HB3 H 3.615 0.02 2 885 103 103 TRP HD1 H 7.107 0.02 1 886 103 103 TRP HE1 H 9.751 0.02 1 887 103 103 TRP C C 178.531 0.3 1 888 103 103 TRP CA C 59.622 0.3 1 889 103 103 TRP CB C 28.244 0.3 1 890 103 103 TRP N N 121.658 0.3 1 891 103 103 TRP NE1 N 127.445 0.3 1 892 104 104 ALA H H 7.829 0.02 1 893 104 104 ALA HA H 3.943 0.02 1 894 104 104 ALA HB H 1.590 0.02 1 895 104 104 ALA C C 178.132 0.3 1 896 104 104 ALA CA C 55.753 0.3 1 897 104 104 ALA CB C 18.176 0.3 1 898 104 104 ALA N N 119.767 0.3 1 899 105 105 PHE H H 8.342 0.02 1 900 105 105 PHE HA H 3.661 0.02 1 901 105 105 PHE HB2 H 3.304 0.02 2 902 105 105 PHE HB3 H 2.911 0.02 2 903 105 105 PHE HD1 H 6.735 0.02 1 904 105 105 PHE HD2 H 6.735 0.02 1 905 105 105 PHE HE1 H 7.064 0.02 1 906 105 105 PHE HE2 H 7.064 0.02 1 907 105 105 PHE HZ H 6.616 0.02 1 908 105 105 PHE C C 178.474 0.3 1 909 105 105 PHE CA C 61.694 0.3 1 910 105 105 PHE CB C 40.469 0.3 1 911 105 105 PHE N N 117.012 0.3 1 912 106 106 SER H H 8.658 0.02 1 913 106 106 SER HA H 4.190 0.02 1 914 106 106 SER HB2 H 4.211 0.02 1 915 106 106 SER HB3 H 4.211 0.02 1 916 106 106 SER C C 174.117 0.3 1 917 106 106 SER CA C 62.039 0.3 1 918 106 106 SER CB C 63.259 0.3 1 919 106 106 SER N N 114.482 0.3 1 920 107 107 MET H H 7.230 0.02 1 921 107 107 MET HA H 4.339 0.02 1 922 107 107 MET HB2 H 2.126 0.02 2 923 107 107 MET HB3 H 1.335 0.02 2 924 107 107 MET HG2 H 2.190 0.02 2 925 107 107 MET HG3 H 2.469 0.02 2 926 107 107 MET HE H 1.309 0.02 1 927 107 107 MET C C 175.642 0.3 1 928 107 107 MET CA C 55.008 0.3 1 929 107 107 MET CB C 30.516 0.3 1 930 107 107 MET CE C 16.284 0.3 1 931 107 107 MET N N 117.124 0.3 1 932 108 108 TYR H H 7.394 0.02 1 933 108 108 TYR HA H 4.338 0.02 1 934 108 108 TYR HB2 H 2.864 0.02 2 935 108 108 TYR HB3 H 2.385 0.02 2 936 108 108 TYR HD1 H 6.605 0.02 1 937 108 108 TYR HD2 H 6.605 0.02 1 938 108 108 TYR HE1 H 7.045 0.02 1 939 108 108 TYR HE2 H 7.045 0.02 1 940 108 108 TYR C C 176.285 0.3 1 941 108 108 TYR CA C 59.739 0.3 1 942 108 108 TYR CB C 40.262 0.3 1 943 108 108 TYR N N 115.149 0.3 1 944 109 109 ASP H H 7.952 0.02 1 945 109 109 ASP HA H 5.094 0.02 1 946 109 109 ASP HB2 H 2.463 0.02 2 947 109 109 ASP HB3 H 2.032 0.02 2 948 109 109 ASP C C 177.343 0.3 1 949 109 109 ASP CA C 52.526 0.3 1 950 109 109 ASP CB C 39.908 0.3 1 951 109 109 ASP N N 122.889 0.3 1 952 110 110 LEU H H 7.729 0.02 1 953 110 110 LEU HA H 4.095 0.02 1 954 110 110 LEU HB2 H 1.770 0.02 2 955 110 110 LEU HB3 H 1.425 0.02 2 956 110 110 LEU HG H 1.565 0.02 1 957 110 110 LEU HD1 H 1.029 0.02 1 958 110 110 LEU HD2 H 1.065 0.02 1 959 110 110 LEU C C 178.458 0.3 1 960 110 110 LEU CA C 57.690 0.3 1 961 110 110 LEU CB C 42.343 0.3 1 962 110 110 LEU CD1 C 25.916 0.3 1 963 110 110 LEU CD2 C 23.441 0.3 1 964 110 110 LEU N N 122.094 0.3 1 965 111 111 ASP H H 8.623 0.02 1 966 111 111 ASP HA H 4.739 0.02 1 967 111 111 ASP HB2 H 2.826 0.02 2 968 111 111 ASP HB3 H 2.555 0.02 2 969 111 111 ASP C C 176.895 0.3 1 970 111 111 ASP CA C 54.287 0.3 1 971 111 111 ASP CB C 41.151 0.3 1 972 111 111 ASP N N 115.790 0.3 1 973 112 112 GLY H H 7.662 0.02 1 974 112 112 GLY HA2 H 3.865 0.02 1 975 112 112 GLY HA3 H 3.865 0.02 1 976 112 112 GLY C C 176.185 0.3 1 977 112 112 GLY CA C 47.484 0.3 1 978 112 112 GLY N N 109.491 0.3 1 979 113 113 ASN H H 10.198 0.02 1 980 113 113 ASN HA H 4.556 0.02 1 981 113 113 ASN HB2 H 2.560 0.02 1 982 113 113 ASN HB3 H 2.560 0.02 1 983 113 113 ASN C C 177.221 0.3 1 984 113 113 ASN CA C 55.278 0.3 1 985 113 113 ASN CB C 39.354 0.3 1 986 113 113 ASN N N 121.334 0.3 1 987 114 114 GLY H H 10.905 0.02 1 988 114 114 GLY HA2 H 3.665 0.02 1 989 114 114 GLY HA3 H 4.216 0.02 1 990 114 114 GLY C C 173.633 0.3 1 991 114 114 GLY CA C 45.208 0.3 1 992 114 114 GLY N N 110.193 0.02 1 993 115 115 TYR H H 7.070 0.02 1 994 115 115 TYR HA H 5.684 0.02 1 995 115 115 TYR HB2 H 2.872 0.02 2 996 115 115 TYR HB3 H 2.693 0.02 2 997 115 115 TYR HD1 H 6.805 0.02 1 998 115 115 TYR HD2 H 6.805 0.02 1 999 115 115 TYR HE1 H 6.858 0.02 1 1000 115 115 TYR HE2 H 6.858 0.02 1 1001 115 115 TYR C C 173.812 0.3 1 1002 115 115 TYR CA C 56.666 0.3 1 1003 115 115 TYR CB C 42.419 0.3 1 1004 115 115 TYR N N 115.540 0.3 1 1005 116 116 ILE H H 8.622 0.02 1 1006 116 116 ILE HA H 4.772 0.02 1 1007 116 116 ILE HB H 2.014 0.02 1 1008 116 116 ILE HG12 H 1.240 0.02 1 1009 116 116 ILE HG13 H 0.901 0.02 1 1010 116 116 ILE HG2 H 0.023 0.02 1 1011 116 116 ILE HD1 H 0.126 0.02 1 1012 116 116 ILE C C 174.764 0.3 1 1013 116 116 ILE CA C 59.851 0.3 1 1014 116 116 ILE CB C 41.337 0.3 1 1015 116 116 ILE CG2 C 16.634 0.3 1 1016 116 116 ILE CD1 C 13.710 0.3 1 1017 116 116 ILE N N 112.735 0.3 1 1018 117 117 SER H H 9.137 0.02 1 1019 117 117 SER HA H 5.047 0.02 1 1020 117 117 SER HB2 H 4.373 0.02 2 1021 117 117 SER HB3 H 3.997 0.02 2 1022 117 117 SER C C 175.569 0.3 1 1023 117 117 SER CA C 57.271 0.3 1 1024 117 117 SER CB C 66.090 0.3 1 1025 117 117 SER N N 117.039 0.3 1 1026 118 118 ARG H H 8.596 0.02 1 1027 118 118 ARG HA H 3.818 0.02 1 1028 118 118 ARG HB2 H 1.775 0.02 2 1029 118 118 ARG HB3 H 1.662 0.02 2 1030 118 118 ARG HG2 H 1.425 0.02 1 1031 118 118 ARG HG3 H 1.652 0.02 1 1032 118 118 ARG HD2 H 3.019 0.02 1 1033 118 118 ARG HD3 H 3.019 0.02 1 1034 118 118 ARG C C 178.067 0.3 1 1035 118 118 ARG CA C 60.288 0.3 1 1036 118 118 ARG CB C 29.863 0.3 1 1037 118 118 ARG CD C 43.317 0.3 1 1038 118 118 ARG N N 121.349 0.3 1 1039 119 119 SER H H 8.355 0.02 1 1040 119 119 SER N N 113.350 0.3 1 1041 120 120 GLU H H 7.465 0.02 1 1042 120 120 GLU HA H 3.579 0.02 1 1043 120 120 GLU HB2 H 2.194 0.02 2 1044 120 120 GLU HB3 H 1.217 0.02 2 1045 120 120 GLU HG2 H 2.302 0.02 1 1046 120 120 GLU HG3 H 2.302 0.02 1 1047 120 120 GLU C C 177.366 0.3 1 1048 120 120 GLU CA C 59.245 0.3 1 1049 120 120 GLU CB C 28.816 0.3 1 1050 120 120 GLU CG C 38.099 0.3 1 1051 120 120 GLU N N 123.764 0.3 1 1052 121 121 MET H H 8.055 0.02 1 1053 121 121 MET HA H 3.671 0.02 1 1054 121 121 MET HB2 H 2.450 0.02 2 1055 121 121 MET HB3 H 1.889 0.02 2 1056 121 121 MET HG2 H 2.544 0.02 2 1057 121 121 MET HG3 H 2.443 0.02 2 1058 121 121 MET C C 177.514 0.3 1 1059 121 121 MET CA C 59.646 0.3 1 1060 121 121 MET CB C 30.963 0.3 1 1061 121 121 MET N N 118.669 0.3 1 1062 122 122 LEU H H 8.040 0.02 1 1063 122 122 LEU HA H 4.026 0.02 1 1064 122 122 LEU HB2 H 1.740 0.02 1 1065 122 122 LEU HB3 H 1.740 0.02 1 1066 122 122 LEU HG H 1.704 0.02 1 1067 122 122 LEU HD1 H 0.872 0.02 1 1068 122 122 LEU HD2 H 0.862 0.02 1 1069 122 122 LEU C C 178.897 0.3 1 1070 122 122 LEU CA C 58.137 0.3 1 1071 122 122 LEU CB C 41.002 0.3 1 1072 122 122 LEU CG C 27.088 0.3 1 1073 122 122 LEU CD1 C 24.689 0.3 1 1074 122 122 LEU CD2 C 24.227 0.3 1 1075 122 122 LEU N N 118.693 0.3 1 1076 123 123 GLU H H 7.498 0.02 1 1077 123 123 GLU HA H 4.011 0.02 1 1078 123 123 GLU HB2 H 2.194 0.02 1 1079 123 123 GLU HB3 H 2.194 0.02 1 1080 123 123 GLU HG2 H 2.611 0.02 2 1081 123 123 GLU HG3 H 2.297 0.02 2 1082 123 123 GLU C C 180.134 0.3 1 1083 123 123 GLU CA C 60.139 0.3 1 1084 123 123 GLU CB C 29.252 0.3 1 1085 123 123 GLU CG C 37.069 0.3 1 1086 123 123 GLU N N 119.460 0.3 1 1087 124 124 ILE H H 7.841 0.02 1 1088 124 124 ILE HA H 3.609 0.02 1 1089 124 124 ILE HB H 2.026 0.02 1 1090 124 124 ILE HG12 H 1.533 0.02 1 1091 124 124 ILE HG13 H 0.665 0.02 1 1092 124 124 ILE HG2 H 0.940 0.02 1 1093 124 124 ILE HD1 H 0.352 0.02 1 1094 124 124 ILE C C 177.620 0.3 1 1095 124 124 ILE CA C 66.444 0.3 1 1096 124 124 ILE CB C 38.199 0.3 1 1097 124 124 ILE CG2 C 17.625 0.3 1 1098 124 124 ILE CD1 C 13.899 0.3 1 1099 124 124 ILE N N 121.064 0.3 1 1100 125 125 VAL H H 8.321 0.02 1 1101 125 125 VAL HA H 3.482 0.02 1 1102 125 125 VAL HB H 2.143 0.02 1 1103 125 125 VAL HG1 H 0.868 0.02 1 1104 125 125 VAL HG2 H 1.012 0.02 1 1105 125 125 VAL C C 177.766 0.3 1 1106 125 125 VAL CA C 67.496 0.3 1 1107 125 125 VAL CB C 31.485 0.3 1 1108 125 125 VAL CG1 C 22.236 0.3 1 1109 125 125 VAL CG2 C 22.779 0.3 1 1110 125 125 VAL N N 118.097 0.02 1 1111 126 126 GLN H H 8.647 0.02 1 1112 126 126 GLN HA H 4.064 0.02 1 1113 126 126 GLN HB2 H 2.339 0.02 2 1114 126 126 GLN HB3 H 2.164 0.02 2 1115 126 126 GLN HG2 H 2.420 0.02 2 1116 126 126 GLN HG3 H 2.544 0.02 2 1117 126 126 GLN C C 178.490 0.3 1 1118 126 126 GLN CA C 59.683 0.3 1 1119 126 126 GLN CB C 28.760 0.3 1 1120 126 126 GLN CG C 34.568 0.3 1 1121 126 126 GLN N N 118.577 0.3 1 1122 127 127 ALA H H 7.942 0.02 1 1123 127 127 ALA HA H 4.209 0.02 1 1124 127 127 ALA HB H 1.755 0.02 1 1125 127 127 ALA C C 179.662 0.3 1 1126 127 127 ALA CA C 55.744 0.3 1 1127 127 127 ALA CB C 18.600 0.3 1 1128 127 127 ALA N N 122.960 0.3 1 1129 128 128 ILE H H 8.077 0.02 1 1130 128 128 ILE HA H 3.499 0.02 1 1131 128 128 ILE HB H 2.027 0.02 1 1132 128 128 ILE HG12 H 0.870 0.02 1 1133 128 128 ILE HG13 H 0.870 0.02 1 1134 128 128 ILE HG2 H 0.773 0.02 1 1135 128 128 ILE HD1 H 0.772 0.02 1 1136 128 128 ILE C C 178.539 0.3 1 1137 128 128 ILE CA C 66.248 0.3 1 1138 128 128 ILE CB C 37.901 0.3 1 1139 128 128 ILE CG2 C 17.855 0.3 1 1140 128 128 ILE CD1 C 13.463 0.3 1 1141 128 128 ILE N N 116.966 0.3 1 1142 129 129 TYR H H 8.785 0.02 1 1143 129 129 TYR HA H 4.117 0.02 1 1144 129 129 TYR HB2 H 3.099 0.02 1 1145 129 129 TYR HB3 H 3.099 0.02 1 1146 129 129 TYR HD1 H 7.122 0.02 1 1147 129 129 TYR HD2 H 7.122 0.02 1 1148 129 129 TYR HE1 H 6.674 0.02 1 1149 129 129 TYR HE2 H 6.674 0.02 1 1150 129 129 TYR C C 179.052 0.3 1 1151 129 129 TYR CA C 61.992 0.3 1 1152 129 129 TYR CB C 37.612 0.3 1 1153 129 129 TYR N N 119.093 0.3 1 1154 130 130 LYS H H 8.145 0.02 1 1155 130 130 LYS HA H 4.018 0.02 1 1156 130 130 LYS HB2 H 2.043 0.02 1 1157 130 130 LYS HB3 H 2.043 0.02 1 1158 130 130 LYS C C 178.936 0.3 1 1159 130 130 LYS CA C 59.906 0.3 1 1160 130 130 LYS CB C 32.518 0.3 1 1161 130 130 LYS N N 120.927 0.3 1 1162 131 131 MET H H 7.628 0.02 1 1163 131 131 MET HA H 4.375 0.02 1 1164 131 131 MET HB2 H 2.319 0.02 2 1165 131 131 MET HB3 H 2.142 0.02 2 1166 131 131 MET HG2 H 2.660 0.02 1 1167 131 131 MET HG3 H 2.660 0.02 1 1168 131 131 MET C C 178.116 0.3 1 1169 131 131 MET CA C 56.861 0.3 1 1170 131 131 MET CB C 33.226 0.3 1 1171 131 131 MET N N 116.513 0.3 1 1172 132 132 VAL H H 8.232 0.02 1 1173 132 132 VAL HA H 3.686 0.02 1 1174 132 132 VAL HB H 2.195 0.02 1 1175 132 132 VAL HG1 H 0.950 0.02 1 1176 132 132 VAL HG2 H 0.880 0.02 1 1177 132 132 VAL C C 177.223 0.3 1 1178 132 132 VAL CA C 66.004 0.3 1 1179 132 132 VAL CB C 31.989 0.3 1 1180 132 132 VAL CG1 C 21.802 0.3 1 1181 132 132 VAL CG2 C 22.598 0.3 1 1182 132 132 VAL N N 119.906 0.3 1 1183 133 133 SER H H 8.045 0.02 1 1184 133 133 SER HA H 4.328 0.02 1 1185 133 133 SER HB2 H 3.905 0.02 2 1186 133 133 SER HB3 H 3.978 0.02 2 1187 133 133 SER C C 177.221 0.3 1 1188 133 133 SER CA C 60.781 0.3 1 1189 133 133 SER CB C 63.421 0.3 1 1190 133 133 SER N N 113.728 0.3 1 1191 134 134 SER H H 7.726 0.02 1 1192 134 134 SER HA H 4.422 0.02 1 1193 134 134 SER HB2 H 3.920 0.02 2 1194 134 134 SER HB3 H 3.992 0.02 2 1195 134 134 SER CA C 60.307 0.3 1 1196 134 134 SER CB C 63.949 0.3 1 1197 134 134 SER N N 114.750 0.3 1 1198 135 135 VAL H H 7.888 0.02 1 1199 135 135 VAL HA H 4.250 0.02 1 1200 135 135 VAL HB H 2.217 0.02 1 1201 135 135 VAL HG1 H 0.948 0.02 1 1202 135 135 VAL HG2 H 0.960 0.02 1 1203 135 135 VAL C C 176.049 0.3 1 1204 135 135 VAL CA C 63.081 0.3 1 1205 135 135 VAL CB C 32.985 0.3 1 1206 135 135 VAL CG1 C 21.374 0.3 1 1207 135 135 VAL CG2 C 20.886 0.3 1 1208 135 135 VAL N N 116.836 0.3 1 1209 136 136 MET H H 7.918 0.02 1 1210 136 136 MET HA H 4.538 0.02 1 1211 136 136 MET HB2 H 2.084 0.02 1 1212 136 136 MET HB3 H 2.084 0.02 1 1213 136 136 MET HG2 H 2.489 0.02 1 1214 136 136 MET HG3 H 2.489 0.02 1 1215 136 136 MET C C 174.799 0.3 1 1216 136 136 MET CA C 55.418 0.3 1 1217 136 136 MET CB C 33.534 0.3 1 1218 136 136 MET N N 119.207 0.3 1 1219 137 137 LYS H H 7.881 0.02 1 1220 137 137 LYS HA H 4.262 0.02 1 1221 137 137 LYS HB2 H 1.790 0.02 1 1222 137 137 LYS HB3 H 1.790 0.02 1 1223 137 137 LYS C C 176.163 0.3 1 1224 137 137 LYS CA C 56.293 0.3 1 1225 137 137 LYS CB C 32.006 0.3 1 1226 137 137 LYS N N 119.864 0.3 1 1227 138 138 MET H H 8.320 0.02 1 1228 138 138 MET HA H 4.796 0.02 1 1229 138 138 MET HB2 H 1.897 0.02 2 1230 138 138 MET HB3 H 2.054 0.02 2 1231 138 138 MET HG2 H 2.528 0.02 2 1232 138 138 MET HG3 H 2.608 0.02 2 1233 138 138 MET C C 175.260 0.3 1 1234 138 138 MET CA C 53.108 0.3 1 1235 138 138 MET CB C 32.441 0.3 1 1236 138 138 MET N N 122.868 0.3 1 1237 140 140 GLU H H 8.374 0.02 1 1238 140 140 GLU HA H 4.476 0.02 1 1239 140 140 GLU HB2 H 2.069 0.02 1 1240 140 140 GLU HB3 H 2.069 0.02 1 1241 140 140 GLU HG2 H 2.640 0.02 2 1242 140 140 GLU HG3 H 2.581 0.02 2 1243 140 140 GLU CA C 55.904 0.3 1 1244 140 140 GLU CB C 33.589 0.3 1 1245 140 140 GLU CG C 32.240 0.3 1 1246 140 140 GLU N N 119.190 0.3 1 1247 141 141 ASP H H 8.432 0.02 1 1248 141 141 ASP HA H 4.556 0.02 1 1249 141 141 ASP HB2 H 2.798 0.02 2 1250 141 141 ASP HB3 H 2.609 0.02 2 1251 141 141 ASP C C 176.497 0.3 1 1252 141 141 ASP CA C 54.272 0.3 1 1253 141 141 ASP CB C 41.142 0.3 1 1254 141 141 ASP N N 121.753 0.3 1 1255 142 142 GLU H H 8.217 0.02 1 1256 142 142 GLU HA H 4.308 0.02 1 1257 142 142 GLU HB2 H 2.143 0.02 2 1258 142 142 GLU HB3 H 1.933 0.02 2 1259 142 142 GLU HG2 H 2.288 0.02 2 1260 142 142 GLU HG3 H 2.206 0.02 2 1261 142 142 GLU C C 176.627 0.3 1 1262 142 142 GLU CA C 56.777 0.3 1 1263 142 142 GLU CB C 30.191 0.3 1 1264 142 142 GLU CG C 36.364 0.3 1 1265 142 142 GLU N N 120.285 0.3 1 1266 143 143 SER H H 8.209 0.02 1 1267 143 143 SER HA H 4.417 0.02 1 1268 143 143 SER HB2 H 3.881 0.02 1 1269 143 143 SER HB3 H 3.881 0.02 1 1270 143 143 SER C C 176.643 0.3 1 1271 143 143 SER CA C 58.761 0.3 1 1272 143 143 SER CB C 63.985 0.3 1 1273 143 143 SER N N 115.907 0.3 1 1274 144 144 THR H H 7.769 0.02 1 1275 144 144 THR HA H 4.679 0.02 1 1276 144 144 THR HB H 4.473 0.02 1 1277 144 144 THR HG2 H 1.274 0.02 1 1278 144 144 THR C C 173.356 0.3 1 1279 144 144 THR CA C 59.553 0.3 1 1280 144 144 THR CB C 69.405 0.3 1 1281 144 144 THR CG2 C 21.904 0.3 1 1282 144 144 THR N N 114.554 0.3 1 1283 145 145 PRO HA H 4.073 0.02 1 1284 145 145 PRO HB2 H 2.117 0.02 1 1285 145 145 PRO HB3 H 1.899 0.02 2 1286 145 145 PRO HG2 H 1.836 0.02 2 1287 145 145 PRO HG3 H 1.835 0.02 2 1288 145 145 PRO HD2 H 3.755 0.02 2 1289 145 145 PRO HD3 H 3.834 0.02 2 1290 145 145 PRO CB C 31.910 0.3 1 1291 146 146 GLU H H 8.690 0.02 1 1292 146 146 GLU HA H 4.081 0.02 1 1293 146 146 GLU HB2 H 1.992 0.02 1 1294 146 146 GLU HB3 H 1.992 0.02 1 1295 146 146 GLU HG2 H 2.279 0.02 1 1296 146 146 GLU HG3 H 2.279 0.02 1 1297 146 146 GLU C C 177.319 0.3 1 1298 146 146 GLU CA C 58.579 0.3 1 1299 146 146 GLU CB C 29.379 0.3 1 1300 146 146 GLU CG C 36.492 0.3 1 1301 146 146 GLU N N 118.958 0.3 1 1302 147 147 LYS H H 7.856 0.02 1 1303 147 147 LYS HA H 4.237 0.02 1 1304 147 147 LYS HB2 H 1.912 0.02 1 1305 147 147 LYS HB3 H 1.912 0.02 1 1306 147 147 LYS C C 178.287 0.3 1 1307 147 147 LYS CA C 57.453 0.3 1 1308 147 147 LYS CB C 32.742 0.3 1 1309 147 147 LYS N N 120.606 0.3 1 1310 148 148 ARG H H 8.226 0.02 1 1311 148 148 ARG HA H 4.179 0.02 1 1312 148 148 ARG HB2 H 1.812 0.02 1 1313 148 148 ARG HB3 H 1.812 0.02 1 1314 148 148 ARG HG2 H 1.639 0.02 2 1315 148 148 ARG HG3 H 1.597 0.02 2 1316 148 148 ARG HD2 H 3.082 0.02 2 1317 148 148 ARG HD3 H 2.998 0.02 2 1318 148 148 ARG C C 177.799 0.3 1 1319 148 148 ARG CA C 58.030 0.3 1 1320 148 148 ARG CB C 30.403 0.3 1 1321 148 148 ARG CD C 43.260 0.3 1 1322 148 148 ARG N N 120.558 0.3 1 1323 149 149 THR H H 8.106 0.02 1 1324 149 149 THR HA H 4.032 0.02 1 1325 149 149 THR HB H 4.227 0.02 1 1326 149 149 THR HG2 H 1.197 0.02 1 1327 149 149 THR CA C 64.805 0.3 1 1328 149 149 THR CB C 68.874 0.3 1 1329 149 149 THR CG2 C 21.993 0.3 1 1330 149 149 THR N N 113.584 0.02 1 1331 150 150 ASP H H 8.054 0.02 1 1332 150 150 ASP HA H 4.502 0.02 1 1333 150 150 ASP HB2 H 2.668 0.02 2 1334 150 150 ASP HB3 H 2.793 0.02 2 1335 150 150 ASP C C 177.384 0.3 1 1336 150 150 ASP CA C 56.545 0.3 1 1337 150 150 ASP CB C 41.170 0.3 1 1338 150 150 ASP N N 121.415 0.3 1 1339 151 151 LYS H H 7.796 0.02 1 1340 151 151 LYS HA H 4.046 0.02 1 1341 151 151 LYS HB2 H 1.876 0.02 1 1342 151 151 LYS HB3 H 1.876 0.02 1 1343 151 151 LYS C C 177.937 0.3 1 1344 151 151 LYS CA C 58.663 0.3 1 1345 151 151 LYS CB C 32.663 0.3 1 1346 151 151 LYS N N 118.821 0.3 1 1347 152 152 ILE H H 7.749 0.02 1 1348 152 152 ILE HA H 3.842 0.02 1 1349 152 152 ILE HB H 1.790 0.02 1 1350 152 152 ILE HG12 H 1.565 0.02 1 1351 152 152 ILE HG13 H 1.046 0.02 1 1352 152 152 ILE HG2 H 0.625 0.02 1 1353 152 152 ILE HD1 H 0.787 0.02 1 1354 152 152 ILE C C 177.001 0.3 1 1355 152 152 ILE CA C 63.734 0.3 1 1356 152 152 ILE CB C 38.460 0.3 1 1357 152 152 ILE CG2 C 17.209 0.3 1 1358 152 152 ILE CD1 C 13.468 0.3 1 1359 152 152 ILE N N 118.618 0.3 1 1360 153 153 PHE H H 8.066 0.02 1 1361 153 153 PHE HA H 4.404 0.02 1 1362 153 153 PHE HB2 H 3.248 0.02 2 1363 153 153 PHE HB3 H 3.092 0.02 2 1364 153 153 PHE HD1 H 7.380 0.02 1 1365 153 153 PHE HD2 H 7.380 0.02 1 1366 153 153 PHE HE1 H 7.288 0.02 1 1367 153 153 PHE HE2 H 7.288 0.02 1 1368 153 153 PHE HZ H 7.132 0.02 1 1369 153 153 PHE C C 177.107 0.3 1 1370 153 153 PHE CA C 59.837 0.3 1 1371 153 153 PHE CB C 38.899 0.3 1 1372 153 153 PHE N N 119.391 0.3 1 1373 155 155 GLN HA H 4.404 0.02 1 1374 155 155 GLN HB2 H 2.301 0.02 2 1375 155 155 GLN HB3 H 1.964 0.02 2 1376 156 156 MET H H 8.599 0.02 1 1377 156 156 MET HA H 4.202 0.02 1 1378 156 156 MET HB2 H 2.064 0.02 2 1379 156 156 MET HB3 H 1.987 0.02 2 1380 156 156 MET HG2 H 2.293 0.02 1 1381 156 156 MET HG3 H 2.293 0.02 1 1382 156 156 MET C C 176.510 0.3 1 1383 156 156 MET CA C 57.401 0.3 1 1384 156 156 MET CB C 30.088 0.3 1 1385 156 156 MET N N 120.873 0.3 1 1386 157 157 ASP H H 8.261 0.02 1 1387 157 157 ASP HA H 4.631 0.02 1 1388 157 157 ASP HB2 H 2.814 0.02 2 1389 157 157 ASP HB3 H 2.563 0.02 2 1390 157 157 ASP C C 176.513 0.3 1 1391 157 157 ASP CA C 54.403 0.3 1 1392 157 157 ASP CB C 41.160 0.3 1 1393 157 157 ASP N N 120.114 0.3 1 1394 158 158 THR H H 8.063 0.02 1 1395 158 158 THR HA H 4.359 0.02 1 1396 158 158 THR HB H 4.304 0.02 1 1397 158 158 THR HG2 H 1.198 0.02 1 1398 158 158 THR C C 174.813 0.3 1 1399 158 158 THR CA C 62.114 0.3 1 1400 158 158 THR CB C 69.815 0.3 1 1401 158 158 THR CG2 C 21.640 0.3 1 1402 158 158 THR N N 113.360 0.3 1 1403 159 159 ASN H H 8.571 0.02 1 1404 159 159 ASN HA H 4.755 0.02 1 1405 159 159 ASN HB2 H 2.910 0.02 1 1406 159 159 ASN HB3 H 2.910 0.02 1 1407 159 159 ASN C C 175.529 0.3 1 1408 159 159 ASN CA C 53.285 0.3 1 1409 159 159 ASN CB C 38.898 0.3 1 1410 159 159 ASN N N 119.955 0.3 1 1411 161 161 ASP H H 8.378 0.02 1 1412 161 161 ASP HA H 4.630 0.02 1 1413 161 161 ASP HB2 H 2.666 0.02 1 1414 161 161 ASP HB3 H 2.666 0.02 1 1415 161 161 ASP C C 176.822 0.3 1 1416 161 161 ASP CA C 54.472 0.3 1 1417 161 161 ASP CB C 41.295 0.3 1 1418 161 161 ASP N N 119.260 0.3 1 1419 162 162 GLY H H 8.533 0.02 1 1420 162 162 GLY HA2 H 3.922 0.02 1 1421 162 162 GLY HA3 H 3.922 0.02 1 1422 162 162 GLY C C 173.747 0.3 1 1423 162 162 GLY CA C 45.938 0.3 1 1424 162 162 GLY N N 108.338 0.3 1 1425 163 163 LYS H H 7.836 0.02 1 1426 163 163 LYS HA H 4.804 0.02 1 1427 163 163 LYS HB2 H 1.534 0.02 1 1428 163 163 LYS HB3 H 1.534 0.02 1 1429 163 163 LYS C C 175.179 0.3 1 1430 163 163 LYS CA C 55.548 0.3 1 1431 163 163 LYS CB C 34.781 0.3 1 1432 163 163 LYS N N 119.242 0.02 1 1433 164 164 LEU H H 9.290 0.02 1 1434 164 164 LEU HA H 4.992 0.02 1 1435 164 164 LEU HB2 H 1.681 0.02 1 1436 164 164 LEU HB3 H 1.681 0.02 1 1437 164 164 LEU HG H 1.762 0.02 1 1438 164 164 LEU HD1 H 0.894 0.02 1 1439 164 164 LEU HD2 H 0.882 0.02 1 1440 164 164 LEU C C 175.699 0.3 1 1441 164 164 LEU CA C 54.300 0.3 1 1442 164 164 LEU CB C 44.949 0.3 1 1443 164 164 LEU CD1 C 26.501 0.3 1 1444 164 164 LEU CD2 C 26.037 0.3 1 1445 164 164 LEU N N 122.548 0.3 1 1446 165 165 SER H H 8.884 0.02 1 1447 165 165 SER HA H 4.953 0.02 1 1448 165 165 SER HB2 H 4.317 0.02 2 1449 165 165 SER HB3 H 4.031 0.02 2 1450 165 165 SER C C 174.560 0.3 1 1451 165 165 SER CA C 57.001 0.3 1 1452 165 165 SER CB C 65.866 0.3 1 1453 165 165 SER N N 119.073 0.3 1 1454 166 166 LEU H H 7.879 0.02 1 1455 166 166 LEU HA H 3.295 0.02 1 1456 166 166 LEU HB2 H 0.521 0.02 2 1457 166 166 LEU HB3 H 1.437 0.02 2 1458 166 166 LEU HG H 1.245 0.02 1 1459 166 166 LEU HD1 H 0.380 0.02 1 1460 166 166 LEU HD2 H 0.713 0.02 1 1461 166 166 LEU C C 177.986 0.3 1 1462 166 166 LEU CA C 58.500 0.3 1 1463 166 166 LEU CB C 40.530 0.3 1 1464 166 166 LEU CD1 C 22.688 0.3 1 1465 166 166 LEU CD2 C 25.672 0.3 1 1466 166 166 LEU N N 122.103 0.3 1 1467 167 167 GLU H H 8.436 0.02 1 1468 167 167 GLU HA H 3.833 0.02 1 1469 167 167 GLU HB2 H 2.009 0.02 2 1470 167 167 GLU HB3 H 1.924 0.02 2 1471 167 167 GLU HG2 H 2.266 0.02 1 1472 167 167 GLU HG3 H 2.266 0.02 1 1473 167 167 GLU C C 179.556 0.3 1 1474 167 167 GLU CA C 60.108 0.3 1 1475 167 167 GLU CB C 29.341 0.3 1 1476 167 167 GLU CG C 36.573 0.3 1 1477 167 167 GLU N N 116.752 0.3 1 1478 168 168 GLU H H 7.691 0.02 1 1479 168 168 GLU HA H 4.005 0.02 1 1480 168 168 GLU HB2 H 2.080 0.02 1 1481 168 168 GLU HB3 H 2.080 0.02 1 1482 168 168 GLU HG2 H 2.273 0.02 1 1483 168 168 GLU HG3 H 2.273 0.02 1 1484 168 168 GLU C C 178.986 0.3 1 1485 168 168 GLU CA C 59.283 0.3 1 1486 168 168 GLU CB C 30.162 0.3 1 1487 168 168 GLU N N 119.575 0.3 1 1488 169 169 PHE H H 8.729 0.02 1 1489 169 169 PHE HA H 4.445 0.02 1 1490 169 169 PHE HB2 H 3.445 0.02 2 1491 169 169 PHE HB3 H 3.276 0.02 2 1492 169 169 PHE HD1 H 7.294 0.02 1 1493 169 169 PHE HD2 H 7.294 0.02 1 1494 169 169 PHE HE1 H 7.060 0.02 1 1495 169 169 PHE HE2 H 7.060 0.02 1 1496 169 169 PHE HZ H 7.344 0.02 1 1497 169 169 PHE C C 176.269 0.3 1 1498 169 169 PHE CA C 60.568 0.3 1 1499 169 169 PHE CB C 39.113 0.3 1 1500 169 169 PHE N N 121.985 0.3 1 1501 170 170 ILE H H 8.571 0.02 1 1502 170 170 ILE HA H 3.157 0.02 1 1503 170 170 ILE HB H 1.787 0.02 1 1504 170 170 ILE HG2 H 0.779 0.02 1 1505 170 170 ILE HD1 H 0.768 0.02 1 1506 170 170 ILE C C 177.044 0.3 1 1507 170 170 ILE CA C 65.950 0.3 1 1508 170 170 ILE CB C 37.538 0.3 1 1509 170 170 ILE CG2 C 17.450 0.3 1 1510 170 170 ILE CD1 C 13.397 0.3 1 1511 170 170 ILE N N 118.851 0.3 1 1512 171 171 ARG H H 7.839 0.02 1 1513 171 171 ARG HA H 3.787 0.02 1 1514 171 171 ARG HB2 H 1.868 0.02 1 1515 171 171 ARG HB3 H 1.868 0.02 1 1516 171 171 ARG HG2 H 1.716 0.02 2 1517 171 171 ARG HG3 H 1.538 0.02 2 1518 171 171 ARG HD2 H 3.220 0.02 1 1519 171 171 ARG HD3 H 3.220 0.02 1 1520 171 171 ARG C C 179.588 0.3 1 1521 171 171 ARG CA C 59.897 0.3 1 1522 171 171 ARG CB C 30.471 0.3 1 1523 171 171 ARG CD C 43.540 0.3 1 1524 171 171 ARG N N 117.906 0.3 1 1525 172 172 GLY H H 8.324 0.02 1 1526 172 172 GLY HA2 H 3.647 0.02 1 1527 172 172 GLY HA3 H 3.745 0.02 1 1528 172 172 GLY C C 176.212 0.3 1 1529 172 172 GLY CA C 47.139 0.3 1 1530 172 172 GLY N N 106.207 0.3 1 1531 173 173 ALA H H 8.547 0.02 1 1532 173 173 ALA HA H 3.836 0.02 1 1533 173 173 ALA HB H 0.953 0.02 1 1534 173 173 ALA C C 178.344 0.3 1 1535 173 173 ALA CA C 55.529 0.3 1 1536 173 173 ALA CB C 18.332 0.3 1 1537 173 173 ALA N N 125.864 0.3 1 1538 174 174 LYS H H 7.791 0.02 1 1539 174 174 LYS HA H 3.707 0.02 1 1540 174 174 LYS HB2 H 1.716 0.02 1 1541 174 174 LYS HB3 H 1.716 0.02 1 1542 174 174 LYS C C 176.619 0.3 1 1543 174 174 LYS CA C 58.370 0.3 1 1544 174 174 LYS CB C 32.258 0.3 1 1545 174 174 LYS N N 110.855 0.3 1 1546 175 175 SER H H 7.379 0.02 1 1547 175 175 SER HA H 4.353 0.02 1 1548 175 175 SER HB2 H 3.968 0.02 2 1549 175 175 SER HB3 H 4.074 0.02 2 1550 175 175 SER CA C 59.217 0.3 1 1551 175 175 SER CB C 63.979 0.3 1 1552 175 175 SER N N 112.850 0.3 1 1553 176 176 ASP H H 7.404 0.02 1 1554 176 176 ASP HA H 5.156 0.02 1 1555 176 176 ASP HB2 H 3.204 0.02 1 1556 176 176 ASP HB3 H 3.204 0.02 1 1557 176 176 ASP C C 174.398 0.3 1 1558 176 176 ASP CA C 50.529 0.3 1 1559 176 176 ASP CB C 42.902 0.3 1 1560 176 176 ASP N N 123.369 0.3 1 1561 177 177 PRO C C 178.071 0.3 1 1562 178 178 SER H H 8.350 0.02 1 1563 178 178 SER HA H 4.061 0.02 1 1564 178 178 SER HB2 H 3.737 0.02 1 1565 178 178 SER HB3 H 3.737 0.02 1 1566 178 178 SER CA C 62.179 0.3 1 1567 178 178 SER CB C 62.200 0.3 1 1568 178 178 SER N N 113.327 0.3 1 1569 179 179 ILE H H 7.559 0.02 1 1570 179 179 ILE HA H 3.536 0.02 1 1571 179 179 ILE HB H 2.369 0.02 1 1572 179 179 ILE HG12 H 1.777 0.02 1 1573 179 179 ILE HG13 H 1.777 0.02 1 1574 179 179 ILE HG2 H 0.781 0.02 1 1575 179 179 ILE HD1 H 0.914 0.02 1 1576 179 179 ILE C C 177.481 0.3 1 1577 179 179 ILE CA C 65.196 0.3 1 1578 179 179 ILE CB C 36.793 0.3 1 1579 179 179 ILE CG2 C 17.285 0.3 1 1580 179 179 ILE CD1 C 12.201 0.3 1 1581 179 179 ILE N N 122.430 0.3 1 1582 180 180 VAL H H 7.717 0.02 1 1583 180 180 VAL HA H 3.328 0.02 1 1584 180 180 VAL HB H 1.991 0.02 1 1585 180 180 VAL HG1 H 0.877 0.02 1 1586 180 180 VAL HG2 H 1.024 0.02 1 1587 180 180 VAL C C 177.498 0.3 1 1588 180 180 VAL CA C 67.561 0.3 1 1589 180 180 VAL CB C 31.839 0.3 1 1590 180 180 VAL CG1 C 21.364 0.3 1 1591 180 180 VAL CG2 C 23.611 0.3 1 1592 180 180 VAL N N 118.584 0.3 1 1593 181 181 ARG H H 7.712 0.02 1 1594 181 181 ARG HA H 4.040 0.02 1 1595 181 181 ARG HB2 H 1.890 0.02 1 1596 181 181 ARG HB3 H 1.890 0.02 1 1597 181 181 ARG HD2 H 3.213 0.02 1 1598 181 181 ARG HD3 H 3.213 0.02 1 1599 181 181 ARG C C 178.767 0.3 1 1600 181 181 ARG CA C 59.208 0.3 1 1601 181 181 ARG CB C 30.301 0.3 1 1602 181 181 ARG CD C 43.500 0.3 1 1603 181 181 ARG N N 116.669 0.3 1 1604 182 182 LEU H H 7.538 0.02 1 1605 182 182 LEU HA H 4.114 0.02 1 1606 182 182 LEU HB2 H 1.669 0.02 1 1607 182 182 LEU HB3 H 1.669 0.02 1 1608 182 182 LEU HG H 0.767 0.02 1 1609 182 182 LEU HD1 H 0.762 0.02 1 1610 182 182 LEU HD2 H 0.776 0.02 1 1611 182 182 LEU C C 178.238 0.3 1 1612 182 182 LEU CA C 57.504 0.3 1 1613 182 182 LEU CB C 41.835 0.3 1 1614 182 182 LEU CG C 24.434 0.3 1 1615 182 182 LEU CD1 C 24.434 0.3 1 1616 182 182 LEU CD2 C 25.457 0.3 1 1617 182 182 LEU N N 118.609 0.3 1 1618 183 183 LEU H H 7.900 0.02 1 1619 183 183 LEU HA H 4.150 0.02 1 1620 183 183 LEU HB2 H 1.802 0.02 2 1621 183 183 LEU HB3 H 1.594 0.02 2 1622 183 183 LEU HG H 1.961 0.02 1 1623 183 183 LEU HD1 H 0.832 0.02 1 1624 183 183 LEU HD2 H 0.827 0.02 1 1625 183 183 LEU C C 177.774 0.3 1 1626 183 183 LEU CA C 57.141 0.3 1 1627 183 183 LEU CB C 42.120 0.3 1 1628 183 183 LEU CG C 28.737 0.3 1 1629 183 183 LEU CD1 C 25.342 0.3 1 1630 183 183 LEU CD2 C 24.369 0.3 1 1631 183 183 LEU N N 116.608 0.3 1 1632 184 184 GLN H H 7.924 0.02 1 1633 184 184 GLN HA H 4.404 0.02 1 1634 184 184 GLN HB2 H 2.140 0.02 1 1635 184 184 GLN HB3 H 2.140 0.02 1 1636 184 184 GLN HG2 H 2.383 0.02 2 1637 184 184 GLN HG3 H 2.487 0.02 2 1638 184 184 GLN C C 175.628 0.3 1 1639 184 184 GLN CA C 56.256 0.3 1 1640 184 184 GLN CB C 29.020 0.3 1 1641 184 184 GLN CG C 34.466 0.3 1 1642 184 184 GLN N N 117.024 0.3 1 1643 185 185 CYS H H 7.785 0.02 1 1644 185 185 CYS HA H 4.438 0.02 1 1645 185 185 CYS HB2 H 2.969 0.02 1 1646 185 185 CYS HB3 H 2.969 0.02 1 1647 185 185 CYS C C 173.869 0.3 1 1648 185 185 CYS CA C 59.297 0.3 1 1649 185 185 CYS CB C 27.960 0.3 1 1650 185 185 CYS N N 119.273 0.02 1 1651 186 186 ASP H H 8.463 0.02 1 1652 186 186 ASP HA H 4.947 0.02 1 1653 186 186 ASP HB2 H 2.800 0.02 2 1654 186 186 ASP HB3 H 2.613 0.02 2 1655 186 186 ASP C C 175.089 0.02 1 1656 186 186 ASP CA C 51.972 0.02 1 1657 186 186 ASP CB C 41.812 0.02 1 1658 186 186 ASP N N 124.199 0.02 1 1659 187 187 PRO HA H 4.459 0.02 1 1660 187 187 PRO HB2 H 2.327 0.02 2 1661 187 187 PRO HB3 H 2.013 0.02 2 1662 187 187 PRO CB C 32.130 0.02 1 1663 188 188 SER H H 8.430 0.02 1 1664 188 188 SER HA H 4.431 0.02 1 1665 188 188 SER HB2 H 3.927 0.02 1 1666 188 188 SER HB3 H 3.927 0.02 1 1667 188 188 SER C C 174.959 0.3 1 1668 188 188 SER CA C 59.497 0.3 1 1669 188 188 SER CB C 63.753 0.3 1 1670 188 188 SER N N 114.715 0.3 1 1671 189 189 SER H H 8.037 0.02 1 1672 189 189 SER HA H 4.457 0.02 1 1673 189 189 SER HB2 H 3.910 0.02 1 1674 189 189 SER HB3 H 3.910 0.02 1 1675 189 189 SER CA C 58.575 0.3 1 1676 189 189 SER CB C 63.957 0.3 1 1677 189 189 SER N N 117.243 0.3 1 1678 190 190 ALA H H 8.070 0.02 1 1679 190 190 ALA HA H 4.350 0.02 1 1680 190 190 ALA HB H 1.416 0.02 1 1681 190 190 ALA C C 177.594 0.3 1 1682 190 190 ALA CA C 52.890 0.3 1 1683 190 190 ALA CB C 19.250 0.3 1 1684 190 190 ALA N N 125.323 0.3 1 1685 191 191 SER H H 8.091 0.02 1 1686 191 191 SER HA H 4.405 0.02 1 1687 191 191 SER HB2 H 3.823 0.02 1 1688 191 191 SER HB3 H 3.823 0.02 1 1689 191 191 SER C C 177.611 0.3 1 1690 191 191 SER CA C 58.444 0.3 1 1691 191 191 SER CB C 63.827 0.3 1 1692 191 191 SER N N 114.240 0.3 1 1693 192 192 GLN H H 8.128 0.02 1 1694 192 192 GLN HA H 4.281 0.02 1 1695 192 192 GLN HB2 H 1.957 0.02 1 1696 192 192 GLN HB3 H 1.957 0.02 1 1697 192 192 GLN C C 174.503 0.3 1 1698 192 192 GLN CA C 55.846 0.3 1 1699 192 192 GLN CB C 29.669 0.3 1 1700 192 192 GLN N N 121.958 0.3 1 1701 193 193 PHE H H 7.671 0.02 1 1702 193 193 PHE HA H 4.456 0.02 1 1703 193 193 PHE HB2 H 3.198 0.02 2 1704 193 193 PHE HB3 H 2.953 0.02 2 1705 193 193 PHE HD1 H 7.264 0.02 1 1706 193 193 PHE HD2 H 7.264 0.02 1 1707 193 193 PHE HE1 H 7.336 0.02 1 1708 193 193 PHE HE2 H 7.336 0.02 1 1709 193 193 PHE C C 174.491 0.3 1 1710 193 193 PHE CA C 59.067 0.3 1 1711 193 193 PHE CB C 40.466 0.3 1 1712 193 193 PHE N N 125.508 0.3 1 stop_ save_