data_26688 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments of Guanylyl Cyclase Activator Protein 1 (GCAP1) mutant V77E in a Ca2+-free/Mg2+-bound Activator State ; _BMRB_accession_number 26688 _BMRB_flat_file_name bmr26688.str _Entry_type original _Submission_date 2015-10-08 _Accession_date 2015-10-08 _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 Lim Sunghyuk . . 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" 188 "13C chemical shifts" 283 "15N chemical shifts" 113 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-08 update BMRB 'update entry citation' 2015-12-28 original author 'original release' stop_ _Original_release_date 2015-12-28 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of Guanylyl Cyclase Activator Protein 1 (GCAP1) Mutant V77E in a Ca2+-free/Mg2+-bound Activator State ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26703466 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lim Sunghyuk . . 2 Peshenko Igor V. . 3 Olshevskaya Elena V. . 4 Dizhoor Alexander M. . 5 Ames James B. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 291 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4429 _Page_last 4441 _Year 2016 _Details . loop_ _Keyword Activator GCAP1 NMR 'Retinal GC' 'Retinal dystrophy' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Mg2+ -bound myrGCAP1 (V77E) mutant' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'GCAP1 (V77E) mutant' $GCAP1_(V77E)_mutant 'myristic acid' $entity_MYR 'Mg2+ ion' $entity_MG stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details ; GCAP1 (V77E) mutant is N-terminally myristoylated. Myristoylated GCAP1 (V77E) mutant in Mg2+ ion saturated condition. ; save_ ######################## # Monomeric polymers # ######################## save_GCAP1_(V77E)_mutant _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common GCAP1_(V77E)_mutant _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 204 _Mol_residue_sequence ; GNIMDGKSVEELSSTECHQW YKKFMTECPSGQLTLYEFRQ FFGLKNLSPWASQYVEQMFE TFDFNKDGYIDFMEYEAALS LVLKGKVEQKLRWYFKLYDV DGNGCIDRDELLTIIRAIRA INPCSDSTMTAEEFTDTVFS KIDVNGDGELSLEEFMEGVQ KDQMLLDTLTRSLDLTRIVR RLQNGEQDEEGASGRETEAA EADG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 GLY 2 3 ASN 3 4 ILE 4 5 MET 5 6 ASP 6 7 GLY 7 8 LYS 8 9 SER 9 10 VAL 10 11 GLU 11 12 GLU 12 13 LEU 13 14 SER 14 15 SER 15 16 THR 16 17 GLU 17 18 CYS 18 19 HIS 19 20 GLN 20 21 TRP 21 22 TYR 22 23 LYS 23 24 LYS 24 25 PHE 25 26 MET 26 27 THR 27 28 GLU 28 29 CYS 29 30 PRO 30 31 SER 31 32 GLY 32 33 GLN 33 34 LEU 34 35 THR 35 36 LEU 36 37 TYR 37 38 GLU 38 39 PHE 39 40 ARG 40 41 GLN 41 42 PHE 42 43 PHE 43 44 GLY 44 45 LEU 45 46 LYS 46 47 ASN 47 48 LEU 48 49 SER 49 50 PRO 50 51 TRP 51 52 ALA 52 53 SER 53 54 GLN 54 55 TYR 55 56 VAL 56 57 GLU 57 58 GLN 58 59 MET 59 60 PHE 60 61 GLU 61 62 THR 62 63 PHE 63 64 ASP 64 65 PHE 65 66 ASN 66 67 LYS 67 68 ASP 68 69 GLY 69 70 TYR 70 71 ILE 71 72 ASP 72 73 PHE 73 74 MET 74 75 GLU 75 76 TYR 76 77 GLU 77 78 ALA 78 79 ALA 79 80 LEU 80 81 SER 81 82 LEU 82 83 VAL 83 84 LEU 84 85 LYS 85 86 GLY 86 87 LYS 87 88 VAL 88 89 GLU 89 90 GLN 90 91 LYS 91 92 LEU 92 93 ARG 93 94 TRP 94 95 TYR 95 96 PHE 96 97 LYS 97 98 LEU 98 99 TYR 99 100 ASP 100 101 VAL 101 102 ASP 102 103 GLY 103 104 ASN 104 105 GLY 105 106 CYS 106 107 ILE 107 108 ASP 108 109 ARG 109 110 ASP 110 111 GLU 111 112 LEU 112 113 LEU 113 114 THR 114 115 ILE 115 116 ILE 116 117 ARG 117 118 ALA 118 119 ILE 119 120 ARG 120 121 ALA 121 122 ILE 122 123 ASN 123 124 PRO 124 125 CYS 125 126 SER 126 127 ASP 127 128 SER 128 129 THR 129 130 MET 130 131 THR 131 132 ALA 132 133 GLU 133 134 GLU 134 135 PHE 135 136 THR 136 137 ASP 137 138 THR 138 139 VAL 139 140 PHE 140 141 SER 141 142 LYS 142 143 ILE 143 144 ASP 144 145 VAL 145 146 ASN 146 147 GLY 147 148 ASP 148 149 GLY 149 150 GLU 150 151 LEU 151 152 SER 152 153 LEU 153 154 GLU 154 155 GLU 155 156 PHE 156 157 MET 157 158 GLU 158 159 GLY 159 160 VAL 160 161 GLN 161 162 LYS 162 163 ASP 163 164 GLN 164 165 MET 165 166 LEU 166 167 LEU 167 168 ASP 168 169 THR 169 170 LEU 170 171 THR 171 172 ARG 172 173 SER 173 174 LEU 174 175 ASP 175 176 LEU 176 177 THR 177 178 ARG 178 179 ILE 179 180 VAL 180 181 ARG 181 182 ARG 182 183 LEU 183 184 GLN 184 185 ASN 185 186 GLY 186 187 GLU 187 188 GLN 188 189 ASP 189 190 GLU 190 191 GLU 191 192 GLY 192 193 ALA 193 194 SER 194 195 GLY 195 196 ARG 196 197 GLU 197 198 THR 198 199 GLU 199 200 ALA 200 201 ALA 201 202 GLU 202 203 ALA 203 204 ASP 204 205 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_MYR _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_MYR (MYRISTIC ACID)" _BMRB_code MYR _PDB_code MYR _Molecular_mass 228.371 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? O1 O1 O . 0 . ? O2 O2 O . 0 . ? C2 C2 C . 0 . ? C3 C3 C . 0 . ? C4 C4 C . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C8 C8 C . 0 . ? C9 C9 C . 0 . ? C10 C10 C . 0 . ? C11 C11 C . 0 . ? C12 C12 C . 0 . ? C13 C13 C . 0 . ? C14 C14 C . 0 . ? HO2 HO2 H . 0 . ? H21 H21 H . 0 . ? H22 H22 H . 0 . ? H31 H31 H . 0 . ? H32 H32 H . 0 . ? H41 H41 H . 0 . ? H42 H42 H . 0 . ? H51 H51 H . 0 . ? H52 H52 H . 0 . ? H61 H61 H . 0 . ? H62 H62 H . 0 . ? H71 H71 H . 0 . ? H72 H72 H . 0 . ? H81 H81 H . 0 . ? H82 H82 H . 0 . ? H91 H91 H . 0 . ? H92 H92 H . 0 . ? H101 H101 H . 0 . ? H102 H102 H . 0 . ? H111 H111 H . 0 . ? H112 H112 H . 0 . ? H121 H121 H . 0 . ? H122 H122 H . 0 . ? H131 H131 H . 0 . ? H132 H132 H . 0 . ? H141 H141 H . 0 . ? H142 H142 H . 0 . ? H143 H143 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB C1 O1 ? ? SING C1 O2 ? ? SING C1 C2 ? ? SING O2 HO2 ? ? SING C2 C3 ? ? SING C2 H21 ? ? SING C2 H22 ? ? SING C3 C4 ? ? SING C3 H31 ? ? SING C3 H32 ? ? SING C4 C5 ? ? SING C4 H41 ? ? SING C4 H42 ? ? SING C5 C6 ? ? SING C5 H51 ? ? SING C5 H52 ? ? SING C6 C7 ? ? SING C6 H61 ? ? SING C6 H62 ? ? SING C7 C8 ? ? SING C7 H71 ? ? SING C7 H72 ? ? SING C8 C9 ? ? SING C8 H81 ? ? SING C8 H82 ? ? SING C9 C10 ? ? SING C9 H91 ? ? SING C9 H92 ? ? SING C10 C11 ? ? SING C10 H101 ? ? SING C10 H102 ? ? SING C11 C12 ? ? SING C11 H111 ? ? SING C11 H112 ? ? SING C12 C13 ? ? SING C12 H121 ? ? SING C12 H122 ? ? SING C13 C14 ? ? SING C13 H131 ? ? SING C13 H132 ? ? SING C14 H141 ? ? SING C14 H142 ? ? SING C14 H143 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ save_MG _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_MG (MAGNESIUM ION)" _BMRB_code MG _PDB_code MG _Molecular_mass 24.305 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons MG MG MG . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $GCAP1_(V77E)_mutant cow 9913 Eukaryota Metazoa Bos taurus 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 $GCAP1_(V77E)_mutant 'recombinant technology' . Escherichia coli . pET11 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling TRIS 5 mM '[U-100% 2H]' DTT 5 mM '[U-100% 2H]' $GCAP1_(V77E)_mutant 0.5 mM '[U-100% 15N]' MgCl2 5 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % '[U-100% 2H]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling TRIS 5 mM '[U-100% 2H]' DTT 5 mM '[U-100% 2H]' $GCAP1_(V77E)_mutant 0.5 mM '[U-100% 13C; U-100% 15N]' MgCl2 5 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % '[U-100% 2H]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling TRIS 5 mM '[U-100% 2H]' DTT 5 mM '[U-100% 2H]' $GCAP1_(V77E)_mutant 0.5 mM '[U-13C; U-15N; U-2H]' MgCl2 5 mM 'natural abundance' H2O 93 % 'natural abundance' D2O 7 % '[U-100% 2H]' stop_ save_ ############################ # Computer software used # ############################ 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_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 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_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_2 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_1H-15N_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNCACB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 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' 20 . mM pH 7.4 . pH pressure 1 . atm temperature 320 . 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 water C 13 protons ppm 41.599 na indirect . . . 0.251449530 water H 1 protons ppm 4.639 internal direct . . . 1 water N 15 protons ppm 117.940 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' '3D HNCO' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D 1H-15N TOCSY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 $sample_3 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'GCAP1 (V77E) mutant' _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 25 24 PHE C C 176.672 0.00 1 2 25 24 PHE CA C 61.116 0.00 1 3 26 25 MET H H 7.969 0.00 1 4 26 25 MET C C 178.159 0.00 1 5 26 25 MET CA C 57.004 0.14 1 6 26 25 MET N N 115.049 0.00 1 7 27 26 THR H H 7.695 0.01 1 8 27 26 THR CA C 64.832 0.10 1 9 27 26 THR CB C 69.710 0.00 1 10 27 26 THR N N 111.891 0.00 1 11 28 27 GLU H H 7.889 0.00 1 12 28 27 GLU C C 176.349 0.00 1 13 28 27 GLU CA C 57.056 0.00 1 14 28 27 GLU CB C 30.200 0.00 1 15 28 27 GLU N N 119.190 0.00 1 16 29 28 CYS H H 7.848 0.00 1 17 29 28 CYS CA C 56.070 0.05 1 18 29 28 CYS CB C 26.717 0.00 1 19 29 28 CYS N N 119.426 0.00 1 20 31 30 SER H H 8.223 0.00 1 21 31 30 SER C C 175.935 0.00 1 22 31 30 SER CA C 59.154 0.00 1 23 31 30 SER CB C 63.672 0.00 1 24 31 30 SER N N 112.706 0.00 1 25 32 31 GLY H H 8.133 0.01 1 26 32 31 GLY C C 172.690 0.00 1 27 32 31 GLY CA C 46.122 0.02 1 28 32 31 GLY N N 109.961 0.00 1 29 33 32 GLN H H 7.544 0.02 1 30 33 32 GLN CA C 54.590 0.07 1 31 33 32 GLN CB C 31.132 0.00 1 32 33 32 GLN N N 117.459 0.00 1 33 34 33 LEU H H 8.922 0.00 1 34 34 33 LEU CA C 54.629 0.07 1 35 34 33 LEU CB C 44.632 0.00 1 36 34 33 LEU N N 123.003 0.00 1 37 35 34 THR H H 8.352 0.00 1 38 35 34 THR HA H 4.967 0.01 1 39 35 34 THR C C 175.223 0.00 1 40 35 34 THR CA C 60.801 0.13 1 41 35 34 THR CB C 71.987 0.00 1 42 35 34 THR N N 113.962 0.00 1 43 36 35 LEU H H 8.373 0.01 1 44 36 35 LEU C C 178.131 0.00 1 45 36 35 LEU CA C 58.601 0.09 1 46 36 35 LEU CB C 40.385 0.12 1 47 36 35 LEU N N 123.571 0.00 1 48 37 36 TYR H H 7.885 0.00 1 49 37 36 TYR HA H 4.056 0.00 1 50 37 36 TYR C C 178.522 0.00 1 51 37 36 TYR CA C 61.526 0.00 1 52 37 36 TYR CB C 38.093 0.00 1 53 37 36 TYR N N 117.239 0.00 1 54 38 37 GLU H H 7.543 0.02 1 55 38 37 GLU HA H 4.015 0.00 1 56 38 37 GLU C C 178.454 0.00 1 57 38 37 GLU CA C 59.061 0.03 1 58 38 37 GLU CB C 30.574 0.16 1 59 38 37 GLU N N 118.374 0.02 1 60 39 38 PHE H H 8.977 0.02 1 61 39 38 PHE C C 176.797 0.00 1 62 39 38 PHE CA C 61.864 0.15 1 63 39 38 PHE CB C 39.844 0.00 1 64 39 38 PHE N N 122.240 0.00 1 65 40 39 ARG H H 8.338 0.01 1 66 40 39 ARG HA H 3.867 0.00 1 67 40 39 ARG C C 178.648 0.00 1 68 40 39 ARG CA C 60.443 0.08 1 69 40 39 ARG CB C 29.701 0.13 1 70 40 39 ARG N N 115.683 0.00 1 71 41 40 GLN H H 7.642 0.02 1 72 41 40 GLN HA H 4.010 0.00 1 73 41 40 GLN CA C 58.441 0.06 1 74 41 40 GLN CB C 28.474 0.15 1 75 41 40 GLN N N 117.091 0.00 1 76 42 41 PHE H H 8.604 0.03 1 77 42 41 PHE C C 176.661 0.00 1 78 42 41 PHE CA C 60.583 0.00 1 79 42 41 PHE N N 121.230 0.00 1 80 43 42 PHE H H 7.391 0.01 1 81 43 42 PHE HA H 4.405 0.00 1 82 43 42 PHE C C 175.327 0.00 1 83 43 42 PHE CA C 59.005 0.00 1 84 43 42 PHE CB C 39.302 0.17 1 85 43 42 PHE N N 112.606 0.00 1 86 44 43 GLY H H 7.589 0.01 1 87 44 43 GLY C C 175.111 0.00 1 88 44 43 GLY CA C 47.123 0.06 1 89 44 43 GLY N N 107.713 0.00 1 90 45 44 LEU H H 8.326 0.01 1 91 45 44 LEU HA H 4.483 0.00 1 92 45 44 LEU CA C 53.840 0.02 1 93 45 44 LEU N N 120.535 0.00 1 94 51 50 TRP C C 178.091 0.00 1 95 51 50 TRP CA C 61.785 0.00 1 96 52 51 ALA H H 7.687 0.01 1 97 52 51 ALA C C 178.922 0.00 1 98 52 51 ALA CA C 54.893 0.08 1 99 52 51 ALA CB C 19.455 0.11 1 100 52 51 ALA N N 123.193 0.00 1 101 53 52 SER H H 8.715 0.01 1 102 53 52 SER HA H 3.925 0.00 1 103 53 52 SER C C 176.772 0.00 1 104 53 52 SER CA C 61.966 0.06 1 105 53 52 SER CB C 62.882 0.00 1 106 53 52 SER N N 113.750 0.00 1 107 54 53 GLN H H 7.558 0.00 1 108 54 53 GLN HA H 4.069 0.00 1 109 54 53 GLN C C 177.922 0.00 1 110 54 53 GLN CA C 58.624 0.03 1 111 54 53 GLN CB C 28.131 0.07 1 112 54 53 GLN N N 120.333 0.00 1 113 55 54 TYR H H 7.969 0.02 1 114 55 54 TYR HA H 3.975 0.00 1 115 55 54 TYR C C 177.591 0.00 1 116 55 54 TYR CA C 61.759 0.02 1 117 55 54 TYR CB C 37.946 0.04 1 118 55 54 TYR N N 121.970 0.00 1 119 56 55 VAL H H 8.375 0.02 1 120 56 55 VAL C C 177.274 0.00 1 121 56 55 VAL CA C 66.934 0.05 1 122 56 55 VAL CB C 31.108 0.11 1 123 56 55 VAL N N 118.264 0.00 1 124 57 56 GLU H H 7.520 0.01 1 125 57 56 GLU HA H 3.853 0.00 1 126 57 56 GLU CA C 60.244 0.05 1 127 57 56 GLU CB C 29.142 0.17 1 128 57 56 GLU N N 119.218 0.00 1 129 58 57 GLN H H 7.919 0.00 1 130 58 57 GLN CA C 58.524 0.00 1 131 58 57 GLN N N 119.169 0.00 1 132 59 58 MET CA C 58.901 0.00 1 133 60 59 PHE H H 8.247 0.00 1 134 60 59 PHE CA C 62.433 0.00 1 135 60 59 PHE N N 120.400 0.00 1 136 61 60 GLU H H 7.960 0.00 1 137 61 60 GLU CA C 59.207 0.03 1 138 61 60 GLU CB C 29.634 0.00 1 139 61 60 GLU N N 115.252 0.00 1 140 62 61 THR H H 7.675 0.00 1 141 62 61 THR CA C 66.569 0.01 1 142 62 61 THR CB C 68.670 0.00 1 143 62 61 THR N N 115.230 0.00 1 144 63 62 PHE H H 7.444 0.00 1 145 63 62 PHE CA C 57.379 0.00 1 146 63 62 PHE N N 117.602 0.00 1 147 66 65 ASN C C 174.755 0.00 1 148 66 65 ASN CA C 52.207 0.00 1 149 67 66 LYS H H 7.945 0.01 1 150 67 66 LYS HA H 3.935 0.01 1 151 67 66 LYS C C 175.685 0.00 1 152 67 66 LYS CA C 56.640 0.11 1 153 67 66 LYS CB C 28.870 0.13 1 154 67 66 LYS N N 116.070 0.00 1 155 68 67 ASP H H 8.563 0.01 1 156 68 67 ASP HA H 4.700 0.01 1 157 68 67 ASP C C 177.251 0.00 1 158 68 67 ASP CA C 52.853 0.15 1 159 68 67 ASP CB C 41.006 0.12 1 160 68 67 ASP N N 116.992 0.00 1 161 69 68 GLY H H 10.362 0.01 1 162 69 68 GLY HA2 H 4.188 0.02 2 163 69 68 GLY HA3 H 4.188 0.02 2 164 69 68 GLY C C 172.848 0.00 1 165 69 68 GLY CA C 45.173 0.16 1 166 69 68 GLY N N 112.824 0.00 1 167 70 69 TYR H H 8.001 0.01 1 168 70 69 TYR C C 175.277 0.00 1 169 70 69 TYR CA C 55.592 0.00 1 170 70 69 TYR N N 116.952 0.00 1 171 71 70 ILE H H 9.308 0.01 1 172 71 70 ILE C C 175.854 0.00 1 173 71 70 ILE CA C 59.279 0.10 1 174 71 70 ILE CB C 38.159 0.00 1 175 71 70 ILE N N 125.367 0.00 1 176 72 71 ASP H H 8.823 0.00 1 177 72 71 ASP C C 176.094 0.00 1 178 72 71 ASP CA C 52.103 0.11 1 179 72 71 ASP CB C 41.936 0.00 1 180 72 71 ASP N N 128.815 0.00 1 181 73 72 PHE H H 8.513 0.00 1 182 73 72 PHE CA C 61.881 0.05 1 183 73 72 PHE N N 116.160 0.00 1 184 78 77 ALA CA C 54.842 0.00 1 185 78 77 ALA CB C 21.546 0.00 1 186 79 78 ALA H H 7.630 0.00 1 187 79 78 ALA CA C 54.733 0.03 1 188 79 78 ALA CB C 17.419 0.00 1 189 79 78 ALA N N 120.877 0.00 1 190 89 88 GLU H H 9.358 0.00 1 191 89 88 GLU CA C 60.351 0.00 1 192 89 88 GLU N N 118.365 0.00 1 193 90 89 GLN H H 7.130 0.01 1 194 90 89 GLN CA C 58.836 0.00 1 195 90 89 GLN N N 117.081 0.08 1 196 91 90 LYS H H 7.932 0.01 1 197 91 90 LYS CA C 60.260 0.04 1 198 91 90 LYS CB C 33.267 0.12 1 199 91 90 LYS N N 119.004 0.00 1 200 92 91 LEU H H 8.525 0.00 1 201 92 91 LEU CA C 57.879 0.00 1 202 92 91 LEU CB C 41.769 0.00 1 203 92 91 LEU N N 116.714 0.00 1 204 108 107 ASP CA C 51.538 0.00 1 205 109 108 ARG H H 7.783 0.00 1 206 109 108 ARG HA H 3.756 0.00 1 207 109 108 ARG C C 178.107 0.00 1 208 109 108 ARG CA C 60.333 0.03 1 209 109 108 ARG CB C 29.748 0.00 1 210 109 108 ARG N N 117.747 0.00 1 211 110 109 ASP H H 7.712 0.01 1 212 110 109 ASP HA H 4.349 0.00 1 213 110 109 ASP C C 179.549 0.00 1 214 110 109 ASP CA C 57.587 0.02 1 215 110 109 ASP CB C 40.592 0.00 1 216 110 109 ASP N N 118.649 0.00 1 217 111 110 GLU H H 8.428 0.02 1 218 111 110 GLU HA H 4.038 0.00 1 219 111 110 GLU CA C 59.493 0.07 1 220 111 110 GLU CB C 29.512 0.00 1 221 111 110 GLU N N 122.688 0.00 1 222 112 111 LEU H H 8.657 0.01 1 223 112 111 LEU C C 177.830 0.00 1 224 112 111 LEU CA C 57.958 0.13 1 225 112 111 LEU N N 119.986 0.00 1 226 113 112 LEU H H 8.361 0.00 1 227 113 112 LEU CA C 58.210 0.14 1 228 113 112 LEU CB C 41.554 0.00 1 229 113 112 LEU N N 120.588 0.00 1 230 114 113 THR H H 7.676 0.01 1 231 114 113 THR HA H 3.638 0.00 1 232 114 113 THR C C 176.536 0.00 1 233 114 113 THR CA C 67.034 0.05 1 234 114 113 THR CB C 68.382 0.00 1 235 114 113 THR N N 114.637 0.00 1 236 115 114 ILE H H 7.700 0.01 1 237 115 114 ILE C C 176.706 0.00 1 238 115 114 ILE CA C 66.089 0.06 1 239 115 114 ILE CB C 37.699 0.13 1 240 115 114 ILE N N 123.454 0.00 1 241 116 115 ILE H H 8.660 0.02 1 242 116 115 ILE C C 178.669 0.00 1 243 116 115 ILE CA C 62.356 0.02 1 244 116 115 ILE CB C 35.538 0.00 1 245 116 115 ILE N N 118.838 0.00 1 246 117 116 ARG H H 8.605 0.01 1 247 117 116 ARG HA H 3.805 0.01 1 248 117 116 ARG C C 179.103 0.00 1 249 117 116 ARG CA C 60.517 0.04 1 250 117 116 ARG CB C 30.161 0.12 1 251 117 116 ARG N N 119.095 0.00 1 252 118 117 ALA H H 7.903 0.01 1 253 118 117 ALA HA H 4.115 0.00 1 254 118 117 ALA CA C 55.715 0.10 1 255 118 117 ALA CB C 18.109 0.16 1 256 118 117 ALA N N 124.501 0.00 1 257 129 128 THR C C 174.698 0.00 1 258 129 128 THR CA C 63.296 0.00 1 259 129 128 THR CB C 69.145 0.00 1 260 130 129 MET H H 7.881 0.01 1 261 130 129 MET C C 176.743 0.00 1 262 130 129 MET CA C 55.395 0.04 1 263 130 129 MET CB C 35.764 0.00 1 264 130 129 MET N N 120.400 0.00 1 265 131 130 THR H H 8.970 0.00 1 266 131 130 THR HA H 4.367 0.02 1 267 131 130 THR C C 175.088 0.00 1 268 131 130 THR CA C 61.652 0.10 1 269 131 130 THR CB C 71.096 0.02 1 270 131 130 THR N N 115.880 0.00 1 271 132 131 ALA H H 9.056 0.01 1 272 132 131 ALA HA H 3.935 0.00 1 273 132 131 ALA C C 180.219 0.00 1 274 132 131 ALA CA C 55.706 0.07 1 275 132 131 ALA CB C 18.429 0.00 1 276 132 131 ALA N N 123.833 0.00 1 277 133 132 GLU H H 9.650 0.01 1 278 133 132 GLU HA H 3.839 0.01 1 279 133 132 GLU C C 177.871 0.00 1 280 133 132 GLU CA C 61.586 0.02 1 281 133 132 GLU CB C 28.492 0.12 1 282 133 132 GLU N N 120.768 0.04 1 283 134 133 GLU H H 7.901 0.01 1 284 134 133 GLU HA H 4.124 0.00 1 285 134 133 GLU C C 180.321 0.00 1 286 134 133 GLU CA C 59.162 0.04 1 287 134 133 GLU CB C 30.020 0.00 1 288 134 133 GLU N N 120.395 0.00 1 289 135 134 PHE H H 8.866 0.01 1 290 135 134 PHE C C 176.661 0.00 1 291 135 134 PHE CA C 62.273 0.09 1 292 135 134 PHE CB C 39.165 0.11 1 293 135 134 PHE N N 121.920 0.00 1 294 136 135 THR H H 8.258 0.01 1 295 136 135 THR HA H 3.671 0.03 1 296 136 135 THR C C 175.984 0.00 1 297 136 135 THR CA C 68.438 0.03 1 298 136 135 THR N N 116.717 0.00 1 299 137 136 ASP H H 8.420 0.01 1 300 137 136 ASP HA H 4.503 0.00 1 301 137 136 ASP CA C 58.041 0.10 1 302 137 136 ASP CB C 40.383 0.00 1 303 137 136 ASP N N 120.763 0.00 1 304 138 137 THR H H 8.221 0.00 1 305 138 137 THR HA H 3.906 0.00 1 306 138 137 THR CA C 67.261 0.00 1 307 138 137 THR CB C 68.227 0.08 1 308 138 137 THR N N 118.521 0.00 1 309 139 138 VAL H H 8.127 0.00 1 310 139 138 VAL CA C 67.119 0.04 1 311 139 138 VAL CB C 30.788 0.00 1 312 139 138 VAL N N 121.412 0.00 1 313 140 139 PHE H H 8.305 0.00 1 314 140 139 PHE CA C 64.045 0.00 1 315 140 139 PHE N N 117.715 0.00 1 316 141 140 SER H H 8.167 0.01 1 317 141 140 SER HA H 4.286 0.00 1 318 141 140 SER CA C 61.420 0.03 1 319 141 140 SER N N 113.269 0.00 1 320 142 141 LYS H H 7.613 0.00 1 321 142 141 LYS HA H 4.276 0.00 1 322 142 141 LYS CA C 57.929 0.00 1 323 142 141 LYS N N 117.377 0.00 1 324 151 150 LEU H H 9.236 0.00 1 325 151 150 LEU HA H 5.053 0.01 1 326 151 150 LEU C C 175.985 0.00 1 327 151 150 LEU CA C 53.898 0.00 1 328 151 150 LEU N N 121.625 0.00 1 329 152 151 SER H H 9.029 0.01 1 330 152 151 SER HA H 5.355 0.01 1 331 152 151 SER CA C 56.706 0.11 1 332 152 151 SER CB C 66.206 0.07 1 333 152 151 SER N N 118.925 0.00 1 334 153 152 LEU H H 8.529 0.01 1 335 153 152 LEU C C 178.452 0.00 1 336 153 152 LEU CA C 58.787 0.00 1 337 153 152 LEU N N 123.219 0.00 1 338 154 153 GLU H H 8.695 0.01 1 339 154 153 GLU HA H 3.904 0.02 1 340 154 153 GLU C C 179.620 0.00 1 341 154 153 GLU CA C 60.581 0.00 1 342 154 153 GLU CB C 28.758 0.00 1 343 154 153 GLU N N 117.512 0.00 1 344 155 154 GLU H H 7.782 0.00 1 345 155 154 GLU HA H 4.077 0.01 1 346 155 154 GLU C C 180.040 0.00 1 347 155 154 GLU CA C 58.810 0.00 1 348 155 154 GLU CB C 29.956 0.00 1 349 155 154 GLU N N 119.613 0.00 1 350 156 155 PHE H H 8.654 0.01 1 351 156 155 PHE CA C 61.266 0.05 1 352 156 155 PHE CB C 39.561 0.00 1 353 156 155 PHE N N 121.027 0.00 1 354 157 156 MET H H 8.774 0.00 1 355 157 156 MET HA H 4.074 0.00 1 356 157 156 MET C C 179.072 0.00 1 357 157 156 MET CA C 57.028 0.04 1 358 157 156 MET CB C 30.591 0.00 1 359 157 156 MET N N 116.618 0.00 1 360 158 157 GLU H H 8.027 0.00 1 361 158 157 GLU HA H 3.990 0.00 1 362 158 157 GLU C C 179.044 0.00 1 363 158 157 GLU CA C 59.200 0.05 1 364 158 157 GLU CB C 29.475 0.14 1 365 158 157 GLU N N 118.467 0.00 1 366 159 158 GLY H H 7.902 0.01 1 367 159 158 GLY CA C 47.144 0.05 1 368 159 158 GLY N N 104.703 0.00 1 369 160 159 VAL H H 8.320 0.01 1 370 160 159 VAL HA H 3.602 0.01 1 371 160 159 VAL CA C 65.773 0.02 1 372 160 159 VAL N N 119.675 0.00 1 373 161 160 GLN H H 7.289 0.02 1 374 161 160 GLN HA H 3.983 0.01 1 375 161 160 GLN C C 176.981 0.00 1 376 161 160 GLN CA C 58.041 0.02 1 377 161 160 GLN CB C 29.061 0.00 1 378 161 160 GLN N N 113.386 0.00 1 379 162 161 LYS H H 7.110 0.01 1 380 162 161 LYS HA H 4.258 0.00 1 381 162 161 LYS C C 175.519 0.00 1 382 162 161 LYS CA C 56.759 0.07 1 383 162 161 LYS CB C 33.196 0.00 1 384 162 161 LYS N N 115.070 0.00 1 385 163 162 ASP H H 7.346 0.01 1 386 163 162 ASP HA H 4.844 0.00 1 387 163 162 ASP C C 174.154 0.00 1 388 163 162 ASP CA C 53.032 0.08 1 389 163 162 ASP CB C 43.474 0.09 1 390 163 162 ASP N N 121.110 0.00 1 391 164 163 GLN H H 8.668 0.01 1 392 164 163 GLN HA H 3.911 0.01 1 393 164 163 GLN C C 177.676 0.00 1 394 164 163 GLN CA C 59.386 0.14 1 395 164 163 GLN CB C 28.557 0.00 1 396 164 163 GLN N N 125.011 0.00 1 397 165 164 MET H H 8.046 0.00 1 398 165 164 MET HA H 4.363 0.02 1 399 165 164 MET CA C 58.944 0.01 1 400 165 164 MET CB C 31.639 0.15 1 401 165 164 MET N N 117.830 0.02 1 402 166 165 LEU H H 8.343 0.01 1 403 166 165 LEU HA H 4.133 0.01 1 404 166 165 LEU C C 178.826 0.00 1 405 166 165 LEU CA C 58.137 0.01 1 406 166 165 LEU CB C 41.779 0.00 1 407 166 165 LEU N N 122.498 0.00 1 408 167 166 LEU H H 8.650 0.01 1 409 167 166 LEU HA H 3.919 0.01 1 410 167 166 LEU C C 180.704 0.00 1 411 167 166 LEU CA C 58.471 0.03 1 412 167 166 LEU CB C 40.851 0.00 1 413 167 166 LEU N N 120.597 0.00 1 414 168 167 ASP H H 8.850 0.01 1 415 168 167 ASP HA H 4.468 0.00 1 416 168 167 ASP C C 178.386 0.00 1 417 168 167 ASP CA C 58.157 0.09 1 418 168 167 ASP CB C 41.269 0.00 1 419 168 167 ASP N N 122.234 0.00 1 420 169 168 THR H H 7.995 0.01 1 421 169 168 THR HA H 3.980 0.00 1 422 169 168 THR CA C 67.209 0.04 1 423 169 168 THR CB C 68.728 0.05 1 424 169 168 THR N N 115.303 0.00 1 425 170 169 LEU H H 8.467 0.01 1 426 170 169 LEU HA H 3.967 0.02 1 427 170 169 LEU CA C 58.597 0.13 1 428 170 169 LEU CB C 42.045 0.00 1 429 170 169 LEU N N 123.228 0.00 1 430 171 170 THR H H 8.834 0.01 1 431 171 170 THR CA C 67.659 0.08 1 432 171 170 THR N N 115.716 0.00 1 433 172 171 ARG H H 8.102 0.01 1 434 172 171 ARG HA H 4.270 0.00 1 435 172 171 ARG C C 179.947 0.00 1 436 172 171 ARG CA C 59.590 0.04 1 437 172 171 ARG CB C 30.441 0.00 1 438 172 171 ARG N N 119.398 0.00 1 439 173 172 SER H H 7.880 0.01 1 440 173 172 SER HA H 4.261 0.01 1 441 173 172 SER C C 175.369 0.00 1 442 173 172 SER CA C 62.383 0.03 1 443 173 172 SER N N 114.634 0.00 1 444 174 173 LEU H H 7.689 0.01 1 445 174 173 LEU HA H 4.306 0.02 1 446 174 173 LEU CA C 55.037 0.06 1 447 174 173 LEU CB C 42.690 0.00 1 448 174 173 LEU N N 120.331 0.00 1 449 175 174 ASP H H 7.155 0.01 1 450 175 174 ASP HA H 4.739 0.02 1 451 175 174 ASP CA C 53.816 0.05 1 452 175 174 ASP CB C 40.721 0.00 1 453 175 174 ASP N N 120.141 0.00 1 454 176 175 LEU H H 8.916 0.00 1 455 176 175 LEU CA C 54.839 0.00 1 456 176 175 LEU N N 127.434 0.00 1 457 183 182 LEU C C 178.073 0.00 1 458 183 182 LEU CA C 55.845 0.00 1 459 183 182 LEU CB C 42.263 0.00 1 460 184 183 GLN H H 7.984 0.00 1 461 184 183 GLN HA H 4.299 0.00 1 462 184 183 GLN C C 176.676 0.00 1 463 184 183 GLN CA C 57.476 0.01 1 464 184 183 GLN CB C 29.725 0.00 1 465 184 183 GLN N N 116.460 0.00 1 466 185 184 ASN H H 8.117 0.00 1 467 185 184 ASN HA H 4.838 0.00 1 468 185 184 ASN C C 176.059 0.00 1 469 185 184 ASN CA C 53.766 0.12 1 470 185 184 ASN CB C 39.447 0.03 1 471 185 184 ASN N N 116.833 0.00 1 472 186 185 GLY H H 8.200 0.00 1 473 186 185 GLY HA2 H 4.071 0.01 2 474 186 185 GLY HA3 H 4.071 0.01 2 475 186 185 GLY C C 174.252 0.00 1 476 186 185 GLY CA C 46.004 0.05 1 477 186 185 GLY N N 108.773 0.04 1 478 187 186 GLU H H 8.297 0.01 1 479 187 186 GLU C C 176.515 0.00 1 480 187 186 GLU CA C 56.922 0.05 1 481 187 186 GLU CB C 30.338 0.00 1 482 187 186 GLU N N 119.838 0.00 1 483 188 187 GLN H H 8.267 0.00 1 484 188 187 GLN C C 175.590 0.00 1 485 188 187 GLN CA C 55.956 0.02 1 486 188 187 GLN CB C 29.488 0.00 1 487 188 187 GLN N N 120.182 0.00 1 488 189 188 ASP H H 8.239 0.00 1 489 189 188 ASP HA H 4.617 0.00 1 490 189 188 ASP C C 176.222 0.00 1 491 189 188 ASP CA C 54.584 0.15 1 492 189 188 ASP CB C 41.386 0.06 1 493 189 188 ASP N N 121.416 0.00 1 494 190 189 GLU H H 8.311 0.00 1 495 190 189 GLU HA H 4.258 0.02 1 496 190 189 GLU C C 176.792 0.00 1 497 190 189 GLU CA C 56.926 0.04 1 498 190 189 GLU CB C 30.235 0.21 1 499 190 189 GLU N N 121.299 0.00 1 500 191 190 GLU H H 8.401 0.00 1 501 191 190 GLU HA H 4.237 0.01 1 502 191 190 GLU C C 177.337 0.00 1 503 191 190 GLU CA C 57.176 0.00 1 504 191 190 GLU CB C 30.183 0.00 1 505 191 190 GLU N N 121.790 0.03 1 506 192 191 GLY H H 8.326 0.00 1 507 192 191 GLY HA2 H 3.948 0.02 2 508 192 191 GLY HA3 H 3.948 0.02 2 509 192 191 GLY C C 174.225 0.00 1 510 192 191 GLY CA C 45.547 0.00 1 511 192 191 GLY N N 109.805 0.02 1 512 193 192 ALA H H 8.067 0.00 1 513 193 192 ALA HA H 4.357 0.02 1 514 193 192 ALA C C 178.097 0.00 1 515 193 192 ALA CA C 52.794 0.05 1 516 193 192 ALA CB C 19.348 0.00 1 517 193 192 ALA N N 123.763 0.02 1 518 194 193 SER H H 8.286 0.00 1 519 194 193 SER HA H 4.458 0.00 1 520 194 193 SER C C 175.312 0.00 1 521 194 193 SER CA C 58.887 0.04 1 522 194 193 SER CB C 64.019 0.00 1 523 194 193 SER N N 114.924 0.00 1 524 195 194 GLY H H 8.354 0.01 1 525 195 194 GLY HA2 H 4.013 0.00 2 526 195 194 GLY HA3 H 4.013 0.00 2 527 195 194 GLY C C 174.204 0.00 1 528 195 194 GLY CA C 45.560 0.00 1 529 195 194 GLY N N 110.702 0.05 1 530 196 195 ARG H H 8.056 0.00 1 531 196 195 ARG HA H 4.384 0.01 1 532 196 195 ARG C C 176.527 0.00 1 533 196 195 ARG CA C 56.175 0.00 1 534 196 195 ARG CB C 30.909 0.00 1 535 196 195 ARG N N 120.270 0.01 1 536 197 196 GLU H H 8.567 0.01 1 537 197 196 GLU HA H 4.345 0.01 1 538 197 196 GLU C C 176.831 0.00 1 539 197 196 GLU CA C 57.123 0.01 1 540 197 196 GLU CB C 30.050 0.00 1 541 197 196 GLU N N 122.033 0.02 1 542 198 197 THR H H 8.057 0.01 1 543 198 197 THR HA H 4.307 0.00 1 544 198 197 THR C C 174.565 0.00 1 545 198 197 THR CA C 62.090 0.03 1 546 198 197 THR CB C 69.883 0.05 1 547 198 197 THR N N 114.528 0.03 1 548 199 198 GLU H H 8.309 0.00 1 549 199 198 GLU HA H 4.281 0.00 1 550 199 198 GLU CA C 56.686 0.04 1 551 199 198 GLU CB C 30.315 0.00 1 552 199 198 GLU N N 123.346 0.02 1 553 200 199 ALA H H 8.209 0.00 1 554 200 199 ALA HA H 4.309 0.02 1 555 200 199 ALA CA C 52.511 0.05 1 556 200 199 ALA CB C 19.348 0.00 1 557 200 199 ALA N N 125.222 0.00 1 558 201 200 ALA H H 8.172 0.00 1 559 201 200 ALA HA H 4.309 0.00 1 560 201 200 ALA C C 177.836 0.00 1 561 201 200 ALA CA C 52.514 0.03 1 562 201 200 ALA CB C 19.373 0.00 1 563 201 200 ALA N N 123.566 0.02 1 564 202 201 GLU H H 8.244 0.00 1 565 202 201 GLU HA H 4.267 0.00 1 566 202 201 GLU CA C 56.501 0.03 1 567 202 201 GLU CB C 30.300 0.00 1 568 202 201 GLU N N 120.055 0.00 1 569 203 202 ALA H H 8.200 0.00 1 570 203 202 ALA HA H 4.337 0.00 1 571 203 202 ALA C C 177.339 0.00 1 572 203 202 ALA CA C 52.672 0.01 1 573 203 202 ALA CB C 19.432 0.16 1 574 203 202 ALA N N 124.902 0.00 1 575 204 203 ASP H H 8.221 0.00 1 576 204 203 ASP HA H 4.640 0.02 1 577 204 203 ASP CA C 54.424 0.11 1 578 204 203 ASP CB C 41.361 0.05 1 579 204 203 ASP N N 120.036 0.00 1 580 205 204 GLY H H 7.768 0.00 1 581 205 204 GLY HA2 H 3.756 0.00 2 582 205 204 GLY HA3 H 3.756 0.00 2 583 205 204 GLY CA C 46.336 0.01 1 584 205 204 GLY N N 115.101 0.02 1 stop_ save_