data_18126 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone Chemical Shifts of the designed protein Z-L2LBT ; _BMRB_accession_number 18126 _BMRB_flat_file_name bmr18126.str _Entry_type original _Submission_date 2011-12-08 _Accession_date 2011-12-08 _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 Barb Adam W. . 2 Ho Tienhuei G. . 3 Prestegard James H. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 73 "13C chemical shifts" 223 "15N chemical shifts" 73 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-26 update BMRB 'update entry citation' 2012-09-10 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Lanthanide binding and IgG affinity construct: potential applications in solution NMR, MRI, and luminescence microscopy.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22851279 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Barb Adam W. . 2 Ho 'Tienhuei Grace' . . 3 Flanagan-Steet Heather . . 4 Prestegard James H. . stop_ _Journal_abbreviation 'Protein Sci.' _Journal_name_full 'Protein science : a publication of the Protein Society' _Journal_volume 21 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1456 _Page_last 1466 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Z-L2LBT _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Z-L2LBT $Z-L2LBT 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_Z-L2LBT _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Z-L2LBT _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 88 _Mol_residue_sequence ; MGSSHHHHHHSSGVDNKFNK EQQNAFYEILHLPNLNEEQR NAFIQSLKDDSYIDTNNDGA YEGDELSGSQSANLLAEAKK LNDAQAPK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 GLY 3 3 SER 4 4 SER 5 5 HIS 6 6 HIS 7 7 HIS 8 8 HIS 9 9 HIS 10 10 HIS 11 11 SER 12 12 SER 13 13 GLY 14 14 VAL 15 15 ASP 16 16 ASN 17 17 LYS 18 18 PHE 19 19 ASN 20 20 LYS 21 21 GLU 22 22 GLN 23 23 GLN 24 24 ASN 25 25 ALA 26 26 PHE 27 27 TYR 28 28 GLU 29 29 ILE 30 30 LEU 31 31 HIS 32 32 LEU 33 33 PRO 34 34 ASN 35 35 LEU 36 36 ASN 37 37 GLU 38 38 GLU 39 39 GLN 40 40 ARG 41 41 ASN 42 42 ALA 43 43 PHE 44 44 ILE 45 45 GLN 46 46 SER 47 47 LEU 48 48 LYS 49 49 ASP 50 50 ASP 51 51 SER 52 52 TYR 53 53 ILE 54 54 ASP 55 55 THR 56 56 ASN 57 57 ASN 58 58 ASP 59 59 GLY 60 60 ALA 61 61 TYR 62 62 GLU 63 63 GLY 64 64 ASP 65 65 GLU 66 66 LEU 67 67 SER 68 68 GLY 69 69 SER 70 70 GLN 71 71 SER 72 72 ALA 73 73 ASN 74 74 LEU 75 75 LEU 76 76 ALA 77 77 GLU 78 78 ALA 79 79 LYS 80 80 LYS 81 81 LEU 82 82 ASN 83 83 ASP 84 84 ALA 85 85 GLN 86 86 ALA 87 87 PRO 88 88 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-11-10 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LR2 "Designed Igg And Lanthanide Binding Probe For Solution Nmr, Mri And Luminescence Microscopy" 100.00 88 100.00 100.00 9.51e-56 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Z-L2LBT . . . . . . 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 $Z-L2LBT 'recombinant technology' . Escherichia coli BL21(DE3) pET29 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 $Z-L2LBT . uM 100 800 '[U-98% 13C; U-98% 15N]' H2O 90 % . . 'natural abundance' D2O 10 % . . [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model VXRS _Field_strength 900 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _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_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _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' 0.1 . M pH 8.0 . pH pressure 1 . atm temperature 273 . 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 0.07 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.07 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.07 internal 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 HNCACB' '3D HN(COCA)CB' 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 Z-L2LBT _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 12 12 SER C C 175.01 0.1 1 2 12 12 SER CA C 58.43 0.2 1 3 12 12 SER CB C 64.01 0.2 1 4 13 13 GLY H H 8.38 0.01 1 5 13 13 GLY C C 174.24 0.1 1 6 13 13 GLY CA C 45.02 0.2 1 7 13 13 GLY N N 110.55 0.1 1 8 14 14 VAL H H 7.90 0.01 1 9 14 14 VAL C C 175.77 0.1 1 10 14 14 VAL CA C 61.92 0.2 1 11 14 14 VAL CB C 31.99 0.2 1 12 14 14 VAL N N 118.64 0.1 1 13 15 15 ASP H H 8.25 0.01 1 14 15 15 ASP C C 175.99 0.1 1 15 15 15 ASP CA C 53.90 0.2 1 16 15 15 ASP CB C 40.72 0.2 1 17 15 15 ASP N N 122.78 0.1 1 18 16 16 ASN H H 8.18 0.01 1 19 16 16 ASN C C 175.13 0.1 1 20 16 16 ASN CA C 53.33 0.2 1 21 16 16 ASN CB C 38.26 0.2 1 22 16 16 ASN N N 119.37 0.1 1 23 17 17 LYS H H 8.23 0.01 1 24 17 17 LYS C C 176.52 0.1 1 25 17 17 LYS CA C 56.20 0.2 1 26 17 17 LYS CB C 31.40 0.2 1 27 17 17 LYS N N 120.44 0.1 1 28 18 18 PHE H H 8.00 0.01 1 29 18 18 PHE C C 176.59 0.1 1 30 18 18 PHE CA C 56.10 0.2 1 31 18 18 PHE CB C 39.20 0.2 1 32 18 18 PHE N N 119.69 0.1 1 33 19 19 ASN H H 8.59 0.01 1 34 19 19 ASN C C 175.66 0.1 1 35 19 19 ASN CA C 52.27 0.2 1 36 19 19 ASN CB C 38.12 0.2 1 37 19 19 ASN N N 120.44 0.1 1 38 20 20 LYS H H 8.39 0.01 1 39 20 20 LYS C C 178.17 0.1 1 40 20 20 LYS CA C 58.96 0.2 1 41 20 20 LYS CB C 31.64 0.2 1 42 20 20 LYS N N 119.91 0.1 1 43 21 21 GLU H H 8.28 0.01 1 44 21 21 GLU C C 179.42 0.1 1 45 21 21 GLU CA C 58.90 0.2 1 46 21 21 GLU CB C 28.40 0.2 1 47 21 21 GLU N N 119.62 0.1 1 48 22 22 GLN H H 8.36 0.01 1 49 22 22 GLN C C 177.26 0.1 1 50 22 22 GLN CA C 57.91 0.2 1 51 22 22 GLN CB C 28.40 0.2 1 52 22 22 GLN N N 120.26 0.1 1 53 23 23 GLN H H 8.46 0.01 1 54 23 23 GLN C C 177.95 0.1 1 55 23 23 GLN CA C 58.12 0.2 1 56 23 23 GLN CB C 27.97 0.2 1 57 23 23 GLN N N 118.30 0.1 1 58 24 24 ASN H H 8.23 0.01 1 59 24 24 ASN C C 177.06 0.1 1 60 24 24 ASN CA C 55.58 0.2 1 61 24 24 ASN CB C 37.90 0.2 1 62 24 24 ASN N N 117.75 0.1 1 63 25 25 ALA H H 7.97 0.01 1 64 25 25 ALA C C 178.36 0.1 1 65 25 25 ALA CA C 54.90 0.2 1 66 25 25 ALA CB C 17.83 0.2 1 67 25 25 ALA N N 122.41 0.1 1 68 26 26 PHE H H 8.28 0.01 1 69 26 26 PHE C C 176.44 0.1 1 70 26 26 PHE CA C 60.16 0.2 1 71 26 26 PHE CB C 38.19 0.2 1 72 26 26 PHE N N 117.36 0.1 1 73 27 27 TYR H H 7.95 0.01 1 74 27 27 TYR C C 178.63 0.1 1 75 27 27 TYR CA C 61.57 0.2 1 76 27 27 TYR CB C 37.83 0.2 1 77 27 27 TYR N N 117.02 0.1 1 78 28 28 GLU H H 8.24 0.01 1 79 28 28 GLU C C 180.17 0.1 1 80 28 28 GLU CA C 59.67 0.2 1 81 28 28 GLU CB C 29.17 0.2 1 82 28 28 GLU N N 118.29 0.1 1 83 29 29 ILE H H 8.27 0.01 1 84 29 29 ILE C C 178.14 0.1 1 85 29 29 ILE CA C 64.13 0.2 1 86 29 29 ILE CB C 36.21 0.2 1 87 29 29 ILE N N 119.00 0.1 1 88 30 30 LEU H H 7.98 0.01 1 89 30 30 LEU C C 177.11 0.1 1 90 30 30 LEU CA C 56.85 0.2 1 91 30 30 LEU CB C 40.72 0.2 1 92 30 30 LEU N N 117.98 0.1 1 93 31 31 HIS H H 7.18 0.01 1 94 31 31 HIS C C 174.90 0.1 1 95 31 31 HIS CA C 55.93 0.2 1 96 31 31 HIS CB C 29.10 0.2 1 97 31 31 HIS N N 112.37 0.1 1 98 32 32 LEU H H 7.17 0.01 1 99 32 32 LEU CA C 52.84 0.2 1 100 32 32 LEU CB C 39.45 0.2 1 101 32 32 LEU N N 123.86 0.1 1 102 33 33 PRO C C 178.07 0.1 1 103 33 33 PRO CA C 64.56 0.2 1 104 33 33 PRO CB C 32.02 0.2 1 105 34 34 ASN H H 8.88 0.01 1 106 34 34 ASN C C 176.27 0.1 1 107 34 34 ASN CA C 52.41 0.2 1 108 34 34 ASN CB C 38.26 0.2 1 109 34 34 ASN N N 113.55 0.1 1 110 35 35 LEU H H 6.55 0.01 1 111 35 35 LEU C C 176.51 0.1 1 112 35 35 LEU CA C 54.10 0.2 1 113 35 35 LEU CB C 42.06 0.2 1 114 35 35 LEU N N 117.55 0.1 1 115 36 36 ASN H H 8.54 0.01 1 116 36 36 ASN C C 175.77 0.1 1 117 36 36 ASN CA C 51.01 0.2 1 118 36 36 ASN CB C 38.33 0.2 1 119 36 36 ASN N N 119.01 0.1 1 120 37 37 GLU H H 8.60 0.01 1 121 37 37 GLU C C 178.16 0.1 1 122 37 37 GLU CA C 59.46 0.2 1 123 37 37 GLU CB C 28.89 0.2 1 124 37 37 GLU N N 118.29 0.1 1 125 38 38 GLU H H 8.24 0.01 1 126 38 38 GLU C C 180.22 0.1 1 127 38 38 GLU CA C 59.39 0.2 1 128 38 38 GLU CB C 28.26 0.2 1 129 38 38 GLU N N 119.54 0.1 1 130 39 39 GLN H H 8.51 0.01 1 131 39 39 GLN C C 178.62 0.1 1 132 39 39 GLN CA C 57.55 0.2 1 133 39 39 GLN CB C 28.20 0.2 1 134 39 39 GLN N N 119.72 0.1 1 135 40 40 ARG H H 8.57 0.01 1 136 40 40 ARG C C 177.96 0.1 1 137 40 40 ARG CA C 60.24 0.2 1 138 40 40 ARG CB C 29.52 0.2 1 139 40 40 ARG N N 118.59 0.1 1 140 41 41 ASN H H 8.42 0.01 1 141 41 41 ASN C C 177.70 0.1 1 142 41 41 ASN CA C 55.65 0.2 1 143 41 41 ASN CB C 37.55 0.2 1 144 41 41 ASN N N 115.05 0.1 1 145 42 42 ALA H H 7.91 0.01 1 146 42 42 ALA C C 181.01 0.1 1 147 42 42 ALA CA C 54.81 0.2 1 148 42 42 ALA CB C 17.37 0.2 1 149 42 42 ALA N N 123.13 0.1 1 150 43 43 PHE H H 8.01 0.01 1 151 43 43 PHE C C 172.61 0.1 1 152 43 43 PHE CA C 61.85 0.2 1 153 43 43 PHE CB C 39.03 0.2 1 154 43 43 PHE N N 116.85 0.1 1 155 44 44 ILE H H 8.33 0.01 1 156 44 44 ILE C C 178.08 0.1 1 157 44 44 ILE CA C 64.53 0.2 1 158 44 44 ILE CB C 39.07 0.2 1 159 44 44 ILE N N 118.89 0.1 1 160 45 45 GLN H H 8.32 0.01 1 161 45 45 GLN C C 178.40 0.1 1 162 45 45 GLN CA C 58.25 0.2 1 163 45 45 GLN CB C 27.39 0.2 1 164 45 45 GLN N N 118.92 0.1 1 165 46 46 SER H H 7.98 0.01 1 166 46 46 SER C C 176.42 0.1 1 167 46 46 SER CA C 61.71 0.2 1 168 46 46 SER CB C 63.26 0.2 1 169 46 46 SER N N 114.86 0.1 1 170 47 47 LEU H H 8.05 0.01 1 171 47 47 LEU C C 179.05 0.1 1 172 47 47 LEU CA C 57.00 0.2 1 173 47 47 LEU CB C 41.57 0.2 1 174 47 47 LEU N N 122.25 0.1 1 175 48 48 LYS H H 7.98 0.01 1 176 48 48 LYS C C 177.82 0.1 1 177 48 48 LYS CA C 58.50 0.2 1 178 48 48 LYS CB C 32.02 0.2 1 179 48 48 LYS N N 118.11 0.1 1 180 49 49 ASP H H 7.95 0.01 1 181 49 49 ASP C C 176.29 0.1 1 182 49 49 ASP CA C 54.88 0.2 1 183 49 49 ASP CB C 40.80 0.2 1 184 49 49 ASP N N 118.39 0.1 1 185 50 50 ASP H H 7.87 0.01 1 186 50 50 ASP C C 175.63 0.1 1 187 50 50 ASP CA C 54.11 0.2 1 188 50 50 ASP CB C 40.80 0.2 1 189 50 50 ASP N N 120.45 0.1 1 190 51 51 SER H H 7.94 0.01 1 191 51 51 SER C C 173.70 0.1 1 192 51 51 SER CA C 58.47 0.2 1 193 51 51 SER CB C 64.17 0.2 1 194 51 51 SER N N 115.35 0.1 1 195 52 52 TYR H H 7.79 0.01 1 196 52 52 TYR C C 174.75 0.1 1 197 52 52 TYR CA C 56.22 0.2 1 198 52 52 TYR CB C 38.47 0.2 1 199 52 52 TYR N N 120.60 0.1 1 200 53 53 ILE H H 8.71 0.01 1 201 53 53 ILE C C 176.30 0.1 1 202 53 53 ILE CA C 59.74 0.2 1 203 53 53 ILE CB C 39.07 0.2 1 204 53 53 ILE N N 120.82 0.1 1 205 54 54 ASP H H 9.00 0.01 1 206 54 54 ASP C C 177.34 0.1 1 207 54 54 ASP CA C 51.50 0.2 1 208 54 54 ASP CB C 38.61 0.2 1 209 54 54 ASP N N 124.96 0.1 1 210 55 55 THR H H 8.04 0.01 1 211 55 55 THR C C 175.62 0.1 1 212 55 55 THR CA C 64.41 0.2 1 213 55 55 THR CB C 68.61 0.2 1 214 55 55 THR N N 119.55 0.1 1 215 56 56 ASN H H 8.36 0.01 1 216 56 56 ASN C C 175.11 0.1 1 217 56 56 ASN CA C 51.07 0.2 1 218 56 56 ASN CB C 36.57 0.2 1 219 56 56 ASN N N 115.63 0.1 1 220 57 57 ASN H H 8.01 0.01 1 221 57 57 ASN C C 174.10 0.1 1 222 57 57 ASN CA C 54.53 0.2 1 223 57 57 ASN CB C 37.27 0.2 1 224 57 57 ASN N N 115.14 0.1 1 225 58 58 ASP H H 8.07 0.01 1 226 58 58 ASP C C 177.39 0.1 1 227 58 58 ASP CA C 52.35 0.2 1 228 58 58 ASP CB C 40.16 0.2 1 229 58 58 ASP N N 115.21 0.1 1 230 59 59 GLY H H 9.53 0.01 1 231 59 59 GLY C C 172.30 0.1 1 232 59 59 GLY CA C 45.16 0.2 1 233 59 59 GLY N N 111.80 0.1 1 234 60 60 ALA H H 7.76 0.01 1 235 60 60 ALA C C 177.34 0.1 1 236 60 60 ALA CA C 49.53 0.2 1 237 60 60 ALA CB C 21.82 0.2 1 238 60 60 ALA N N 121.35 0.1 1 239 61 61 TYR H H 9.24 0.01 1 240 61 61 TYR C C 174.71 0.1 1 241 61 61 TYR CA C 55.30 0.2 1 242 61 61 TYR CB C 38.12 0.2 1 243 61 61 TYR N N 128.57 0.1 1 244 62 62 GLU H H 8.54 0.01 1 245 62 62 GLU C C 174.62 0.1 1 246 62 62 GLU CA C 54.81 0.2 1 247 62 62 GLU CB C 28.82 0.2 1 248 62 62 GLU N N 122.24 0.1 1 249 63 63 GLY H H 8.86 0.01 1 250 63 63 GLY CA C 46.50 0.2 1 251 63 63 GLY N N 108.88 0.1 1 252 64 64 ASP C C 177.97 0.1 1 253 64 64 ASP CA C 55.74 0.2 1 254 64 64 ASP CB C 39.72 0.2 1 255 65 65 GLU H H 8.29 0.01 1 256 65 65 GLU C C 178.33 0.1 1 257 65 65 GLU CA C 56.85 0.2 1 258 65 65 GLU CB C 27.62 0.2 1 259 65 65 GLU N N 118.11 0.1 1 260 66 66 LEU H H 7.30 0.01 1 261 66 66 LEU C C 177.22 0.1 1 262 66 66 LEU CA C 54.17 0.2 1 263 66 66 LEU CB C 40.44 0.2 1 264 66 66 LEU N N 115.04 0.1 1 265 67 67 SER H H 7.49 0.01 1 266 67 67 SER C C 175.09 0.1 1 267 67 67 SER CA C 58.47 0.2 1 268 67 67 SER CB C 63.82 0.2 1 269 67 67 SER N N 114.42 0.1 1 270 68 68 GLY H H 8.28 0.01 1 271 68 68 GLY C C 174.48 0.1 1 272 68 68 GLY CA C 45.23 0.2 1 273 68 68 GLY N N 110.19 0.1 1 274 69 69 SER H H 8.25 0.01 1 275 69 69 SER C C 175.87 0.1 1 276 69 69 SER CA C 58.40 0.2 1 277 69 69 SER CB C 63.82 0.2 1 278 69 69 SER N N 115.77 0.1 1 279 70 70 GLN H H 9.42 0.01 1 280 70 70 GLN C C 177.72 0.1 1 281 70 70 GLN CA C 56.64 0.2 1 282 70 70 GLN CB C 28.05 0.2 1 283 70 70 GLN N N 123.68 0.1 1 284 71 71 SER H H 8.27 0.01 1 285 71 71 SER C C 175.17 0.1 1 286 71 71 SER CA C 62.18 0.2 1 287 71 71 SER CB C 70.44 0.2 1 288 71 71 SER N N 116.31 0.1 1 289 72 72 ALA H H 8.15 0.01 1 290 72 72 ALA C C 180.88 0.1 1 291 72 72 ALA CA C 54.81 0.2 1 292 72 72 ALA CB C 17.56 0.2 1 293 72 72 ALA N N 122.95 0.1 1 294 73 73 ASN H H 8.12 0.01 1 295 73 73 ASN C C 177.67 0.1 1 296 73 73 ASN CA C 55.51 0.2 1 297 73 73 ASN CB C 37.41 0.2 1 298 73 73 ASN N N 118.33 0.1 1 299 74 74 LEU H H 8.25 0.01 1 300 74 74 LEU C C 178.64 0.1 1 301 74 74 LEU CA C 57.70 0.2 1 302 74 74 LEU CB C 41.36 0.2 1 303 74 74 LEU N N 122.43 0.1 1 304 75 75 LEU H H 8.20 0.01 1 305 75 75 LEU C C 178.31 0.1 1 306 75 75 LEU CA C 57.41 0.2 1 307 75 75 LEU CB C 40.58 0.2 1 308 75 75 LEU N N 118.49 0.1 1 309 76 76 ALA H H 7.82 0.01 1 310 76 76 ALA C C 181.20 0.1 1 311 76 76 ALA CA C 54.81 0.2 1 312 76 76 ALA CB C 17.37 0.2 1 313 76 76 ALA N N 119.92 0.1 1 314 77 77 GLU H H 8.03 0.01 1 315 77 77 GLU C C 179.09 0.1 1 316 77 77 GLU CA C 58.60 0.2 1 317 77 77 GLU CB C 28.78 0.2 1 318 77 77 GLU N N 119.57 0.1 1 319 78 78 ALA H H 8.23 0.01 1 320 78 78 ALA C C 179.47 0.1 1 321 78 78 ALA CA C 54.88 0.2 1 322 78 78 ALA CB C 16.72 0.2 1 323 78 78 ALA N N 123.69 0.1 1 324 79 79 LYS H H 8.37 0.01 1 325 79 79 LYS C C 178.68 0.1 1 326 79 79 LYS CA C 59.67 0.2 1 327 79 79 LYS CB C 31.35 0.2 1 328 79 79 LYS N N 117.94 0.1 1 329 80 80 LYS H H 7.80 0.01 1 330 80 80 LYS C C 179.82 0.1 1 331 80 80 LYS CA C 59.17 0.2 1 332 80 80 LYS CB C 31.78 0.2 1 333 80 80 LYS N N 120.21 0.1 1 334 81 81 LEU H H 7.89 0.01 1 335 81 81 LEU C C 178.09 0.1 1 336 81 81 LEU CA C 57.13 0.2 1 337 81 81 LEU CB C 41.08 0.2 1 338 81 81 LEU N N 122.05 0.1 1 339 82 82 ASN H H 8.46 0.01 1 340 82 82 ASN C C 177.63 0.1 1 341 82 82 ASN CA C 57.48 0.2 1 342 82 82 ASN CB C 41.08 0.2 1 343 82 82 ASN N N 116.66 0.1 1 344 83 83 ASP H H 8.30 0.01 1 345 83 83 ASP C C 178.92 0.1 1 346 83 83 ASP CA C 56.57 0.2 1 347 83 83 ASP CB C 39.59 0.2 1 348 83 83 ASP N N 118.83 0.1 1 349 84 84 ALA H H 8.04 0.01 1 350 84 84 ALA C C 179.34 0.1 1 351 84 84 ALA CA C 53.90 0.2 1 352 84 84 ALA CB C 18.02 0.2 1 353 84 84 ALA N N 122.79 0.1 1 354 85 85 GLN H H 7.52 0.01 1 355 85 85 GLN C C 174.21 0.1 1 356 85 85 GLN CA C 54.67 0.2 1 357 85 85 GLN CB C 27.48 0.2 1 358 85 85 GLN N N 114.88 0.1 1 359 86 86 ALA H H 7.12 0.01 1 360 86 86 ALA CA C 50.65 0.2 1 361 86 86 ALA CB C 17.35 0.2 1 362 86 86 ALA N N 124.27 0.1 1 363 87 87 PRO C C 176.20 0.1 1 364 87 87 PRO CA C 62.90 0.2 1 365 87 87 PRO CB C 31.30 0.2 1 366 88 88 LYS H H 8.06 0.01 1 367 88 88 LYS CA C 57.10 0.2 1 368 88 88 LYS CB C 33.10 0.2 1 369 88 88 LYS N N 127.28 0.1 1 stop_ save_