data_26937 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, 15N Backbone chemical Shift Assignment of camelid single-domain antibodies against active state of mu-opioid receptor ; _BMRB_accession_number 26937 _BMRB_flat_file_name bmr26937.str _Entry_type original _Submission_date 2016-11-08 _Accession_date 2016-11-08 _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 Sounier Remy . . 2 Yang Yinshan . . 3 Hagelberger Joanna . . 4 Granier Sebastien . . 5 Demene Helene . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 274 "13C chemical shifts" 359 "15N chemical shifts" 133 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-04-26 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 26936 'nanobody 33' stop_ _Original_release_date 2016-11-08 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 13C, and 15N Backbone Chemical Shift Assignments of camelid single-domain antibodies against active state of mu-opioid receptor. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28239762 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sounier Remy . . 2 Yang Yinshan . . 3 Hagelberger Joanna . . 4 Granier Sebastien . . 5 Demene Helene . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 11 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 117 _Page_last 121 _Year 2017 _Details . loop_ _Keyword 'G-protein Coupled receptor' 'camelid antibody' nanobody stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'nanobody 39' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'nanobody 39' $Nb39 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_Nb39 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Nb39 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 129 _Mol_residue_sequence ; SQVQLVESGGGLVRPGGSLR LSCVDSERTSYPMGWFRRAP GKEREFVASITWSGIDPTYA DSVADRFTTSRDVANNTLYL QMNSLKHEDTAVYYCAARAP VGQSSSPYDYDYWGQGTQVT VSSLEVLFQ ; loop_ _Residue_seq_code _Residue_label 1 SER 2 GLN 3 VAL 4 GLN 5 LEU 6 VAL 7 GLU 8 SER 9 GLY 10 GLY 11 GLY 12 LEU 13 VAL 14 ARG 15 PRO 16 GLY 17 GLY 18 SER 19 LEU 20 ARG 21 LEU 22 SER 23 CYS 24 VAL 25 ASP 26 SER 27 GLU 28 ARG 29 THR 30 SER 31 TYR 32 PRO 33 MET 34 GLY 35 TRP 36 PHE 37 ARG 38 ARG 39 ALA 40 PRO 41 GLY 42 LYS 43 GLU 44 ARG 45 GLU 46 PHE 47 VAL 48 ALA 49 SER 50 ILE 51 THR 52 TRP 53 SER 54 GLY 55 ILE 56 ASP 57 PRO 58 THR 59 TYR 60 ALA 61 ASP 62 SER 63 VAL 64 ALA 65 ASP 66 ARG 67 PHE 68 THR 69 THR 70 SER 71 ARG 72 ASP 73 VAL 74 ALA 75 ASN 76 ASN 77 THR 78 LEU 79 TYR 80 LEU 81 GLN 82 MET 83 ASN 84 SER 85 LEU 86 LYS 87 HIS 88 GLU 89 ASP 90 THR 91 ALA 92 VAL 93 TYR 94 TYR 95 CYS 96 ALA 97 ALA 98 ARG 99 ALA 100 PRO 101 VAL 102 GLY 103 GLN 104 SER 105 SER 106 SER 107 PRO 108 TYR 109 ASP 110 TYR 111 ASP 112 TYR 113 TRP 114 GLY 115 GLN 116 GLY 117 THR 118 GLN 119 VAL 120 THR 121 VAL 122 SER 123 SER 124 LEU 125 GLU 126 VAL 127 LEU 128 PHE 129 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Nb39 Llama 9844 Eukaryota Metazoa Lama Glama 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 $Nb39 'recombinant technology' . Escherichia coli BL21(DE3) pMalp2x 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 $Nb39 1.3 mM '[U-99% 13C; U-99% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' HEPES 20 mM 'natural abundance' 'sodium chloride' 40 mM 'natural abundance' LMNG 0.01 % 'natural abundance' 'Cholesteryl Hemisuccinate' 0.001 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_GIFA _Saveframe_category software _Name GIFA _Version . loop_ _Vendor _Address _Electronic_address Delsuc . . stop_ loop_ _Task processing 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_ save_CCPNMR _Saveframe_category software _Name CCPNMR _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _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_HBHA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _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' 40 . mM pH 6.8 . pH pressure 1 . atm temperature 298 . 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 carbons' ppm 0 internal direct . . . 1 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 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 HBHA(CO)NH' '3D CBCA(CO)NH' '3D HNCA' '3D HN(CO)CA' '3D 1H-15N NOESY' '3D HCCH-TOCSY' '2D 1H-13C HSQC aliphatic' '3D 1H-15N TOCSY' 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 'nanobody 39' _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 1 1 SER H H 8.157 0.01 1 2 1 1 SER HA H 4.476 0.010 1 3 1 1 SER C C 174.250 0.010 1 4 1 1 SER CA C 58.550 0.010 1 5 1 1 SER CB C 63.940 0.010 1 6 1 1 SER N N 115.711 0.010 1 7 2 2 GLN H H 8.432 0.010 1 8 2 2 GLN HA H 4.390 0.010 1 9 2 2 GLN HE21 H 7.529 0.01 1 10 2 2 GLN HE22 H 6.982 0.01 1 11 2 2 GLN C C 175.240 0.010 1 12 2 2 GLN CA C 55.700 0.010 1 13 2 2 GLN CB C 29.920 0.010 1 14 2 2 GLN N N 122.197 0.010 1 15 2 2 GLN NE2 N 112.544 0.001 1 16 3 3 VAL H H 7.832 0.010 1 17 3 3 VAL HA H 3.824 0.010 1 18 3 3 VAL C C 175.710 0.010 1 19 3 3 VAL CA C 62.440 0.010 1 20 3 3 VAL CB C 33.330 0.010 1 21 3 3 VAL N N 122.393 0.010 1 22 4 4 GLN H H 8.809 0.010 1 23 4 4 GLN HA H 4.474 0.010 1 24 4 4 GLN HE21 H 7.432 0.01 1 25 4 4 GLN HE22 H 6.758 0.01 1 26 4 4 GLN C C 173.910 0.010 1 27 4 4 GLN CA C 54.600 0.010 1 28 4 4 GLN CB C 29.770 0.010 1 29 4 4 GLN N N 128.805 0.010 1 30 4 4 GLN NE2 N 111.963 0.005 1 31 5 5 LEU H H 8.228 0.010 1 32 5 5 LEU HA H 4.586 0.010 1 33 5 5 LEU C C 176.980 0.010 1 34 5 5 LEU CA C 54.070 0.010 1 35 5 5 LEU CB C 42.520 0.010 1 36 5 5 LEU N N 124.884 0.010 1 37 6 6 VAL H H 8.693 0.010 1 38 6 6 VAL HA H 4.279 0.010 1 39 6 6 VAL C C 176.560 0.010 1 40 6 6 VAL CA C 62.860 0.010 1 41 6 6 VAL CB C 33.250 0.010 1 42 6 6 VAL N N 124.862 0.010 1 43 7 7 GLU H H 9.038 0.010 1 44 7 7 GLU HA H 5.522 0.010 1 45 7 7 GLU C C 176.520 0.010 1 46 7 7 GLU CA C 55.410 0.010 1 47 7 7 GLU CB C 32.390 0.010 1 48 7 7 GLU N N 130.655 0.010 1 49 8 8 SER H H 9.064 0.010 1 50 8 8 SER HA H 4.906 0.010 1 51 8 8 SER C C 173.580 0.010 1 52 8 8 SER CA C 57.650 0.010 1 53 8 8 SER CB C 65.590 0.010 1 54 8 8 SER N N 116.037 0.010 1 55 9 9 GLY H H 8.434 0.010 1 56 9 9 GLY HA2 H 4.782 0.010 2 57 9 9 GLY HA3 H 3.737 0.010 2 58 9 9 GLY C C 174.990 0.010 1 59 9 9 GLY CA C 45.060 0.010 1 60 9 9 GLY N N 108.368 0.010 1 61 10 10 GLY H H 7.764 0.010 1 62 10 10 GLY HA2 H 3.878 0.010 2 63 10 10 GLY HA3 H 3.584 0.010 2 64 10 10 GLY C C 172.840 0.010 1 65 10 10 GLY CA C 45.140 0.010 1 66 10 10 GLY N N 105.310 0.010 1 67 11 11 GLY H H 7.593 0.010 1 68 11 11 GLY HA2 H 4.297 0.010 2 69 11 11 GLY HA3 H 3.834 0.010 2 70 11 11 GLY C C 170.880 0.010 1 71 11 11 GLY CA C 44.930 0.010 1 72 11 11 GLY N N 106.927 0.010 1 73 12 12 LEU H H 8.054 0.010 1 74 12 12 LEU HA H 5.274 0.010 1 75 12 12 LEU C C 176.750 0.010 1 76 12 12 LEU CA C 54.350 0.010 1 77 12 12 LEU CB C 43.810 0.010 1 78 12 12 LEU N N 122.999 0.010 1 79 13 13 VAL H H 8.994 0.010 1 80 13 13 VAL HA H 4.531 0.010 1 81 13 13 VAL C C 172.770 0.010 1 82 13 13 VAL CA C 59.490 0.010 1 83 13 13 VAL CB C 35.620 0.010 1 84 13 13 VAL N N 123.564 0.010 1 85 14 14 ARG H H 8.028 0.010 1 86 14 14 ARG HA H 4.792 0.010 1 87 14 14 ARG C C 174.280 0.010 1 88 14 14 ARG CA C 53.770 0.010 1 89 14 14 ARG N N 122.631 0.010 1 90 15 15 PRO HA H 3.837 0.010 1 91 15 15 PRO C C 177.860 0.010 1 92 15 15 PRO CA C 63.670 0.010 1 93 15 15 PRO CB C 31.030 0.010 1 94 16 16 GLY H H 9.812 0.010 1 95 16 16 GLY HA2 H 4.370 0.010 2 96 16 16 GLY HA3 H 3.518 0.010 2 97 16 16 GLY C C 175.210 0.010 1 98 16 16 GLY CA C 45.110 0.010 1 99 16 16 GLY N N 114.380 0.010 1 100 17 17 GLY H H 8.338 0.010 1 101 17 17 GLY HA2 H 4.272 0.010 2 102 17 17 GLY HA3 H 3.704 0.010 2 103 17 17 GLY C C 170.470 0.010 1 104 17 17 GLY CA C 44.640 0.010 1 105 17 17 GLY N N 109.346 0.010 1 106 18 18 SER H H 7.833 0.010 1 107 18 18 SER HA H 5.546 0.010 1 108 18 18 SER C C 173.070 0.010 1 109 18 18 SER CA C 55.840 0.010 1 110 18 18 SER CB C 67.270 0.010 1 111 18 18 SER N N 109.531 0.010 1 112 19 19 LEU H H 8.377 0.010 1 113 19 19 LEU HA H 4.386 0.010 1 114 19 19 LEU C C 173.670 0.010 1 115 19 19 LEU CA C 54.490 0.010 1 116 19 19 LEU CB C 47.860 0.010 1 117 19 19 LEU N N 121.777 0.010 1 118 20 20 ARG H H 8.210 0.010 1 119 20 20 ARG HA H 5.099 0.010 1 120 20 20 ARG C C 175.600 0.010 1 121 20 20 ARG CA C 54.600 0.010 1 122 20 20 ARG CB C 32.900 0.010 1 123 20 20 ARG N N 122.270 0.010 1 124 21 21 LEU H H 8.823 0.010 1 125 21 21 LEU HA H 5.154 0.010 1 126 21 21 LEU C C 177.170 0.010 1 127 21 21 LEU CA C 53.080 0.010 1 128 21 21 LEU CB C 43.930 0.010 1 129 21 21 LEU N N 126.850 0.010 1 130 22 22 SER H H 8.899 0.010 1 131 22 22 SER HA H 5.751 0.010 1 132 22 22 SER C C 173.700 0.010 1 133 22 22 SER CA C 56.570 0.010 1 134 22 22 SER CB C 67.760 0.010 1 135 22 22 SER N N 113.494 0.010 1 136 23 23 CYS H H 9.089 0.010 1 137 23 23 CYS HA H 5.483 0.010 1 138 23 23 CYS C C 171.480 0.010 1 139 23 23 CYS CA C 53.360 0.010 1 140 23 23 CYS CB C 42.650 0.010 1 141 23 23 CYS N N 121.184 0.010 1 142 24 24 VAL H H 8.393 0.010 1 143 24 24 VAL HA H 4.925 0.010 1 144 24 24 VAL C C 173.290 0.010 1 145 24 24 VAL CA C 59.700 0.010 1 146 24 24 VAL CB C 36.520 0.010 1 147 24 24 VAL N N 124.634 0.010 1 148 25 25 ASP H H 6.572 0.010 1 149 25 25 ASP HA H 5.189 0.010 1 150 25 25 ASP C C 179.330 0.010 1 151 25 25 ASP CA C 52.960 0.010 1 152 25 25 ASP CB C 41.550 0.010 1 153 25 25 ASP N N 121.250 0.010 1 154 26 26 SER H H 9.574 0.010 1 155 26 26 SER HA H 4.257 0.010 1 156 26 26 SER C C 175.730 0.010 1 157 26 26 SER CA C 61.280 0.010 1 158 26 26 SER CB C 63.160 0.010 1 159 26 26 SER N N 123.557 0.010 1 160 27 27 GLU H H 8.261 0.010 1 161 27 27 GLU HA H 4.378 0.010 1 162 27 27 GLU C C 176.440 0.010 1 163 27 27 GLU CA C 56.390 0.010 1 164 27 27 GLU CB C 30.050 0.010 1 165 27 27 GLU N N 119.967 0.010 1 166 28 28 ARG H H 7.843 0.010 1 167 28 28 ARG HA H 3.595 0.010 1 168 28 28 ARG C C 174.640 0.010 1 169 28 28 ARG CA C 57.980 0.010 1 170 28 28 ARG CB C 26.990 0.010 1 171 28 28 ARG N N 112.814 0.010 1 172 29 29 THR H H 7.728 0.010 1 173 29 29 THR HA H 4.029 0.010 1 174 29 29 THR C C 172.710 0.010 1 175 29 29 THR CA C 62.330 0.010 1 176 29 29 THR CB C 68.720 0.010 1 177 29 29 THR N N 108.724 0.010 1 178 30 30 SER H H 7.760 0.010 1 179 30 30 SER HA H 4.301 0.010 1 180 30 30 SER C C 172.500 0.010 1 181 30 30 SER CA C 57.630 0.010 1 182 30 30 SER CB C 64.140 0.010 1 183 30 30 SER N N 115.629 0.010 1 184 31 31 TYR H H 8.992 0.010 1 185 31 31 TYR HA H 5.467 0.010 1 186 31 31 TYR C C 174.860 0.010 1 187 31 31 TYR CA C 53.110 0.010 1 188 31 31 TYR N N 116.513 0.010 1 189 32 32 PRO HA H 4.096 0.010 1 190 32 32 PRO C C 176.500 0.010 1 191 32 32 PRO CA C 63.890 0.010 1 192 32 32 PRO CB C 32.890 0.010 1 193 33 33 MET H H 8.804 0.010 1 194 33 33 MET HA H 4.478 0.010 1 195 33 33 MET C C 172.330 0.010 1 196 33 33 MET CA C 57.550 0.010 1 197 33 33 MET CB C 41.370 0.010 1 198 33 33 MET N N 126.846 0.010 1 199 34 34 GLY H H 7.843 0.010 1 200 34 34 GLY HA2 H 4.965 0.010 2 201 34 34 GLY HA3 H 3.246 0.010 2 202 34 34 GLY C C 169.610 0.010 1 203 34 34 GLY CA C 44.530 0.010 1 204 34 34 GLY N N 106.863 0.010 1 205 35 35 TRP H H 9.131 0.010 1 206 35 35 TRP HA H 5.798 0.010 1 207 35 35 TRP HE1 H 7.731 0.01 1 208 35 35 TRP C C 174.990 0.010 1 209 35 35 TRP CA C 55.590 0.010 1 210 35 35 TRP CB C 33.950 0.010 1 211 35 35 TRP N N 115.588 0.010 1 212 35 35 TRP NE1 N 124.077 0.1 1 213 36 36 PHE H H 9.658 0.010 1 214 36 36 PHE HA H 5.294 0.010 1 215 36 36 PHE C C 174.570 0.010 1 216 36 36 PHE CA C 56.250 0.010 1 217 36 36 PHE CB C 44.580 0.010 1 218 36 36 PHE N N 122.239 0.010 1 219 37 37 ARG H H 9.871 0.010 1 220 37 37 ARG HA H 5.881 0.010 1 221 37 37 ARG C C 173.560 0.010 1 222 37 37 ARG CA C 54.470 0.010 1 223 37 37 ARG CB C 32.480 0.010 1 224 37 37 ARG N N 116.600 0.010 1 225 38 38 ARG H H 9.402 0.010 1 226 38 38 ARG HA H 4.890 0.010 1 227 38 38 ARG C C 175.120 0.010 1 228 38 38 ARG CA C 55.790 0.010 1 229 38 38 ARG CB C 35.470 0.010 1 230 38 38 ARG N N 121.386 0.010 1 231 39 39 ALA H H 9.656 0.010 1 232 39 39 ALA HA H 4.904 0.010 1 233 39 39 ALA C C 174.410 0.010 1 234 39 39 ALA CA C 50.310 0.010 1 235 39 39 ALA N N 136.952 0.010 1 236 41 41 GLY HA2 H 4.114 0.010 2 237 41 41 GLY HA3 H 3.762 0.010 2 238 41 41 GLY C C 174.150 0.010 1 239 41 41 GLY CA C 45.860 0.010 1 240 42 42 LYS H H 7.933 0.010 1 241 42 42 LYS HA H 4.791 0.010 1 242 42 42 LYS C C 176.080 0.010 1 243 42 42 LYS CA C 54.600 0.010 1 244 42 42 LYS CB C 35.460 0.010 1 245 42 42 LYS N N 120.183 0.010 1 246 43 43 GLU H H 8.201 0.010 1 247 43 43 GLU HA H 4.398 0.010 1 248 43 43 GLU C C 176.740 0.010 1 249 43 43 GLU CA C 55.400 0.010 1 250 43 43 GLU CB C 30.940 0.010 1 251 43 43 GLU N N 118.053 0.010 1 252 44 44 ARG H H 8.731 0.010 1 253 44 44 ARG HA H 4.524 0.010 1 254 44 44 ARG C C 175.650 0.010 1 255 44 44 ARG CA C 57.480 0.010 1 256 44 44 ARG CB C 31.000 0.010 1 257 44 44 ARG N N 122.006 0.010 1 258 45 45 GLU H H 9.834 0.010 1 259 45 45 GLU HA H 5.132 0.010 1 260 45 45 GLU C C 175.210 0.010 1 261 45 45 GLU CA C 54.140 0.010 1 262 45 45 GLU CB C 34.000 0.010 1 263 45 45 GLU N N 125.417 0.010 1 264 46 46 PHE H H 8.949 0.010 1 265 46 46 PHE HA H 3.575 0.010 1 266 46 46 PHE C C 174.000 0.010 1 267 46 46 PHE CA C 59.620 0.010 1 268 46 46 PHE CB C 39.860 0.010 1 269 46 46 PHE N N 124.826 0.010 1 270 47 47 VAL H H 7.370 0.010 1 271 47 47 VAL HA H 3.840 0.010 1 272 47 47 VAL C C 172.550 0.010 1 273 47 47 VAL CA C 64.140 0.010 1 274 47 47 VAL CB C 33.690 0.010 1 275 47 47 VAL N N 125.485 0.010 1 276 48 48 ALA H H 7.338 0.010 1 277 48 48 ALA HA H 4.952 0.010 1 278 48 48 ALA C C 175.020 0.010 1 279 48 48 ALA CA C 51.890 0.010 1 280 48 48 ALA CB C 23.150 0.010 1 281 48 48 ALA N N 116.449 0.010 1 282 49 49 SER H H 9.113 0.010 1 283 49 49 SER HA H 5.364 0.010 1 284 49 49 SER C C 171.630 0.010 1 285 49 49 SER CA C 57.600 0.010 1 286 49 49 SER CB C 67.510 0.010 1 287 49 49 SER N N 113.264 0.010 1 288 50 50 ILE H H 8.530 0.010 1 289 50 50 ILE HA H 4.472 0.010 1 290 50 50 ILE C C 173.400 0.010 1 291 50 50 ILE CA C 60.920 0.010 1 292 50 50 ILE CB C 42.520 0.010 1 293 50 50 ILE N N 118.580 0.010 1 294 51 51 THR H H 7.095 0.010 1 295 51 51 THR HA H 4.572 0.010 1 296 51 51 THR C C 177.000 0.010 1 297 51 51 THR CA C 62.180 0.010 1 298 51 51 THR CB C 71.590 0.010 1 299 51 51 THR N N 111.987 0.010 1 300 52 52 TRP H H 9.047 0.010 1 301 52 52 TRP HA H 3.965 0.010 1 302 52 52 TRP HE1 H 8.639 0.01 1 303 52 52 TRP C C 178.000 0.010 1 304 52 52 TRP CA C 61.420 0.010 1 305 52 52 TRP CB C 28.750 0.010 1 306 52 52 TRP N N 122.095 0.010 1 307 52 52 TRP NE1 N 127.218 0.1 1 308 53 53 SER H H 7.699 0.010 1 309 53 53 SER HA H 3.891 0.010 1 310 53 53 SER C C 174.900 0.010 1 311 53 53 SER CA C 58.690 0.010 1 312 53 53 SER CB C 63.130 0.010 1 313 53 53 SER N N 110.458 0.010 1 314 54 54 GLY H H 8.165 0.010 1 315 54 54 GLY HA2 H 4.242 0.010 2 316 54 54 GLY HA3 H 3.462 0.010 2 317 54 54 GLY C C 173.470 0.010 1 318 54 54 GLY CA C 46.060 0.010 1 319 54 54 GLY N N 108.586 0.010 1 320 55 55 ILE H H 7.053 0.010 1 321 55 55 ILE HA H 4.739 0.010 1 322 55 55 ILE C C 174.550 0.010 1 323 55 55 ILE CA C 59.560 0.010 1 324 55 55 ILE CB C 41.230 0.010 1 325 55 55 ILE N N 113.687 0.010 1 326 56 56 ASP H H 8.777 0.010 1 327 56 56 ASP HA H 4.596 0.010 1 328 56 56 ASP C C 172.170 0.010 1 329 56 56 ASP CA C 54.830 0.010 1 330 56 56 ASP N N 118.054 0.010 1 331 57 57 PRO HA H 5.112 0.010 1 332 57 57 PRO C C 176.880 0.010 1 333 57 57 PRO CA C 63.170 0.010 1 334 57 57 PRO CB C 33.120 0.010 1 335 58 58 THR H H 8.568 0.010 1 336 58 58 THR HA H 4.517 0.010 1 337 58 58 THR C C 172.210 0.010 1 338 58 58 THR CA C 61.710 0.010 1 339 58 58 THR CB C 71.490 0.010 1 340 58 58 THR N N 116.296 0.010 1 341 59 59 TYR H H 8.653 0.010 1 342 59 59 TYR HA H 5.185 0.010 1 343 59 59 TYR C C 176.780 0.010 1 344 59 59 TYR CA C 57.170 0.010 1 345 59 59 TYR CB C 43.060 0.010 1 346 59 59 TYR N N 119.091 0.010 1 347 60 60 ALA H H 8.317 0.010 1 348 60 60 ALA HA H 4.568 0.010 1 349 60 60 ALA C C 179.110 0.010 1 350 60 60 ALA CA C 52.530 0.010 1 351 60 60 ALA CB C 19.640 0.010 1 352 60 60 ALA N N 125.855 0.010 1 353 61 61 ASP H H 8.995 0.010 1 354 61 61 ASP HA H 4.363 0.010 1 355 61 61 ASP C C 178.460 0.010 1 356 61 61 ASP CA C 57.760 0.010 1 357 61 61 ASP CB C 40.440 0.010 1 358 61 61 ASP N N 123.204 0.010 1 359 62 62 SER H H 8.180 0.010 1 360 62 62 SER HA H 4.200 0.010 1 361 62 62 SER C C 175.880 0.010 1 362 62 62 SER CA C 60.070 0.010 1 363 62 62 SER CB C 62.920 0.010 1 364 62 62 SER N N 110.681 0.010 1 365 63 63 VAL H H 7.268 0.010 1 366 63 63 VAL HA H 4.144 0.010 1 367 63 63 VAL C C 175.660 0.010 1 368 63 63 VAL CA C 60.470 0.010 1 369 63 63 VAL CB C 31.960 0.010 1 370 63 63 VAL N N 111.650 0.010 1 371 64 64 ALA H H 7.218 0.010 1 372 64 64 ALA HA H 3.609 0.010 1 373 64 64 ALA C C 177.570 0.010 1 374 64 64 ALA CA C 54.630 0.010 1 375 64 64 ALA CB C 18.810 0.010 1 376 64 64 ALA N N 126.072 0.010 1 377 65 65 ASP H H 8.669 0.010 1 378 65 65 ASP HA H 4.297 0.010 1 379 65 65 ASP C C 176.250 0.010 1 380 65 65 ASP CA C 55.820 0.010 1 381 65 65 ASP CB C 40.180 0.010 1 382 65 65 ASP N N 115.184 0.010 1 383 66 66 ARG H H 7.657 0.010 1 384 66 66 ARG HA H 4.584 0.010 1 385 66 66 ARG C C 175.360 0.010 1 386 66 66 ARG CA C 57.580 0.010 1 387 66 66 ARG CB C 31.880 0.010 1 388 66 66 ARG N N 116.707 0.010 1 389 67 67 PHE H H 7.805 0.010 1 390 67 67 PHE HA H 5.900 0.010 1 391 67 67 PHE C C 174.790 0.010 1 392 67 67 PHE CA C 52.840 0.010 1 393 67 67 PHE CB C 39.150 0.010 1 394 67 67 PHE N N 120.339 0.010 1 395 68 68 THR H H 8.817 0.010 1 396 68 68 THR HA H 5.065 0.010 1 397 68 68 THR C C 174.400 0.010 1 398 68 68 THR CA C 60.850 0.010 1 399 68 68 THR CB C 72.340 0.010 1 400 68 68 THR N N 110.968 0.010 1 401 69 69 THR H H 9.194 0.010 1 402 69 69 THR HA H 5.547 0.010 1 403 69 69 THR C C 170.730 0.010 1 404 69 69 THR CA C 59.030 0.010 1 405 69 69 THR CB C 71.730 0.010 1 406 69 69 THR N N 124.228 0.010 1 407 70 70 SER H H 8.111 0.010 1 408 70 70 SER HA H 4.693 0.010 1 409 70 70 SER C C 171.860 0.010 1 410 70 70 SER CA C 57.440 0.010 1 411 70 70 SER CB C 65.650 0.010 1 412 70 70 SER N N 118.012 0.010 1 413 71 71 ARG H H 9.126 0.010 1 414 71 71 ARG HA H 5.303 0.010 1 415 71 71 ARG C C 173.980 0.010 1 416 71 71 ARG CA C 54.700 0.010 1 417 71 71 ARG CB C 35.530 0.010 1 418 71 71 ARG N N 120.778 0.010 1 419 72 72 ASP H H 9.171 0.010 1 420 72 72 ASP HA H 4.875 0.010 1 421 72 72 ASP C C 176.960 0.010 1 422 72 72 ASP CA C 52.160 0.010 1 423 72 72 ASP CB C 41.770 0.010 1 424 72 72 ASP N N 125.491 0.010 1 425 73 73 VAL H H 8.470 0.010 1 426 73 73 VAL HA H 3.364 0.010 1 427 73 73 VAL C C 179.340 0.010 1 428 73 73 VAL CA C 66.330 0.010 1 429 73 73 VAL CB C 31.960 0.010 1 430 73 73 VAL N N 124.938 0.010 1 431 74 74 ALA H H 8.452 0.010 1 432 74 74 ALA HA H 4.178 0.010 1 433 74 74 ALA C C 179.450 0.010 1 434 74 74 ALA CA C 55.280 0.010 1 435 74 74 ALA CB C 18.310 0.010 1 436 74 74 ALA N N 123.614 0.010 1 437 75 75 ASN H H 7.501 0.010 1 438 75 75 ASN HA H 4.907 0.010 1 439 75 75 ASN HD21 H 8.524 0.01 1 440 75 75 ASN HD22 H 6.903 0.01 1 441 75 75 ASN C C 175.480 0.010 1 442 75 75 ASN CA C 52.550 0.010 1 443 75 75 ASN CB C 38.770 0.010 1 444 75 75 ASN N N 111.790 0.010 1 445 75 75 ASN ND2 N 116.403 0.012 1 446 76 76 ASN H H 8.184 0.010 1 447 76 76 ASN HA H 4.376 0.010 1 448 76 76 ASN HD21 H 8.183 0.01 1 449 76 76 ASN HD22 H 8.386 0.01 1 450 76 76 ASN C C 172.750 0.010 1 451 76 76 ASN CA C 54.090 0.010 1 452 76 76 ASN CB C 38.370 0.010 1 453 76 76 ASN N N 123.338 0.010 1 454 76 76 ASN ND2 N 112.144 0.004 1 455 77 77 THR H H 7.830 0.010 1 456 77 77 THR HA H 4.946 0.010 1 457 77 77 THR C C 170.870 0.010 1 458 77 77 THR CA C 61.510 0.010 1 459 77 77 THR CB C 71.600 0.010 1 460 77 77 THR N N 109.638 0.010 1 461 78 78 LEU H H 9.034 0.010 1 462 78 78 LEU HA H 4.859 0.010 1 463 78 78 LEU C C 174.430 0.010 1 464 78 78 LEU CA C 53.080 0.010 1 465 78 78 LEU CB C 47.380 0.010 1 466 78 78 LEU N N 129.467 0.010 1 467 79 79 TYR H H 9.263 0.010 1 468 79 79 TYR HA H 5.886 0.010 1 469 79 79 TYR C C 177.380 0.010 1 470 79 79 TYR CA C 57.230 0.010 1 471 79 79 TYR CB C 42.470 0.010 1 472 79 79 TYR N N 122.909 0.010 1 473 80 80 LEU H H 8.937 0.010 1 474 80 80 LEU HA H 4.606 0.010 1 475 80 80 LEU C C 173.620 0.010 1 476 80 80 LEU CA C 54.390 0.010 1 477 80 80 LEU CB C 42.580 0.010 1 478 80 80 LEU N N 125.042 0.010 1 479 81 81 GLN H H 9.245 0.010 1 480 81 81 GLN HA H 4.280 0.010 1 481 81 81 GLN HE21 H 6.854 0.01 1 482 81 81 GLN HE22 H 6.977 0.01 1 483 81 81 GLN C C 173.860 0.010 1 484 81 81 GLN CA C 54.800 0.010 1 485 81 81 GLN CB C 28.850 0.010 1 486 81 81 GLN N N 128.975 0.010 1 487 81 81 GLN NE2 N 113.260 0.002 1 488 82 82 MET H H 8.825 0.010 1 489 82 82 MET HA H 3.830 0.010 1 490 82 82 MET C C 173.340 0.010 1 491 82 82 MET CA C 54.610 0.010 1 492 82 82 MET CB C 34.920 0.010 1 493 82 82 MET N N 127.236 0.010 1 494 83 83 ASN H H 7.335 0.010 1 495 83 83 ASN HA H 5.129 0.010 1 496 83 83 ASN HD21 H 6.826 0.01 1 497 83 83 ASN HD22 H 7.450 0.01 1 498 83 83 ASN C C 173.320 0.010 1 499 83 83 ASN CA C 51.370 0.010 1 500 83 83 ASN CB C 41.340 0.010 1 501 83 83 ASN N N 119.468 0.010 1 502 83 83 ASN ND2 N 114.158 0.003 1 503 84 84 SER H H 8.566 0.010 1 504 84 84 SER HA H 4.021 0.010 1 505 84 84 SER C C 176.070 0.010 1 506 84 84 SER CA C 57.620 0.010 1 507 84 84 SER CB C 62.020 0.010 1 508 84 84 SER N N 111.093 0.010 1 509 85 85 LEU H H 8.036 0.010 1 510 85 85 LEU HA H 3.943 0.010 1 511 85 85 LEU C C 177.130 0.010 1 512 85 85 LEU CA C 56.990 0.010 1 513 85 85 LEU CB C 42.820 0.010 1 514 85 85 LEU N N 118.829 0.010 1 515 86 86 LYS H H 9.497 0.010 1 516 86 86 LYS HA H 4.733 0.010 1 517 86 86 LYS C C 177.520 0.010 1 518 86 86 LYS CA C 54.150 0.010 1 519 86 86 LYS CB C 36.500 0.010 1 520 86 86 LYS N N 121.199 0.010 1 521 87 87 HIS H H 8.902 0.010 1 522 87 87 HIS HA H 4.222 0.010 1 523 87 87 HIS C C 178.620 0.010 1 524 87 87 HIS CA C 61.260 0.010 1 525 87 87 HIS CB C 30.140 0.010 1 526 87 87 HIS N N 121.918 0.010 1 527 88 88 GLU H H 9.503 0.010 1 528 88 88 GLU HA H 4.274 0.010 1 529 88 88 GLU C C 175.900 0.010 1 530 88 88 GLU CA C 58.950 0.010 1 531 88 88 GLU CB C 28.730 0.010 1 532 88 88 GLU N N 116.139 0.010 1 533 89 89 ASP H H 8.346 0.010 1 534 89 89 ASP HA H 4.775 0.010 1 535 89 89 ASP C C 177.040 0.010 1 536 89 89 ASP CA C 55.130 0.010 1 537 89 89 ASP CB C 42.370 0.010 1 538 89 89 ASP N N 117.832 0.010 1 539 90 90 THR H H 7.821 0.010 1 540 90 90 THR HA H 4.397 0.010 1 541 90 90 THR C C 174.270 0.010 1 542 90 90 THR CA C 64.930 0.010 1 543 90 90 THR CB C 69.840 0.010 1 544 90 90 THR N N 120.590 0.010 1 545 91 91 ALA H H 9.101 0.010 1 546 91 91 ALA HA H 4.490 0.010 1 547 91 91 ALA C C 175.420 0.010 1 548 91 91 ALA CA C 52.740 0.010 1 549 91 91 ALA CB C 21.230 0.010 1 550 91 91 ALA N N 128.115 0.010 1 551 92 92 VAL H H 7.533 0.010 1 552 92 92 VAL HA H 4.245 0.010 1 553 92 92 VAL C C 175.500 0.010 1 554 92 92 VAL CA C 62.730 0.010 1 555 92 92 VAL CB C 32.310 0.010 1 556 92 92 VAL N N 118.406 0.010 1 557 93 93 TYR H H 9.150 0.010 1 558 93 93 TYR HA H 4.921 0.010 1 559 93 93 TYR C C 174.760 0.010 1 560 93 93 TYR CA C 57.850 0.010 1 561 93 93 TYR CB C 40.790 0.010 1 562 93 93 TYR N N 127.647 0.010 1 563 94 94 TYR H H 9.576 0.010 1 564 94 94 TYR HA H 5.149 0.010 1 565 94 94 TYR C C 174.920 0.010 1 566 94 94 TYR CA C 56.590 0.010 1 567 94 94 TYR CB C 42.250 0.010 1 568 94 94 TYR N N 119.119 0.010 1 569 95 95 CYS H H 10.292 0.010 1 570 95 95 CYS HA H 4.071 0.010 1 571 95 95 CYS C C 171.450 0.010 1 572 95 95 CYS CA C 54.100 0.010 1 573 95 95 CYS CB C 42.000 0.010 1 574 95 95 CYS N N 124.905 0.010 1 575 96 96 ALA H H 8.350 0.010 1 576 96 96 ALA HA H 4.507 0.010 1 577 96 96 ALA C C 175.710 0.010 1 578 96 96 ALA CA C 49.960 0.010 1 579 96 96 ALA CB C 21.120 0.010 1 580 96 96 ALA N N 127.643 0.010 1 581 97 97 ALA H H 8.922 0.010 1 582 97 97 ALA HA H 5.231 0.010 1 583 97 97 ALA C C 176.230 0.010 1 584 97 97 ALA CA C 50.150 0.010 1 585 97 97 ALA CB C 26.070 0.010 1 586 97 97 ALA N N 123.413 0.010 1 587 98 98 ARG H H 7.956 0.010 1 588 98 98 ARG HA H 4.991 0.010 1 589 98 98 ARG C C 175.370 0.010 1 590 98 98 ARG CA C 54.890 0.010 1 591 98 98 ARG CB C 33.270 0.010 1 592 98 98 ARG N N 119.800 0.010 1 593 99 99 ALA H H 9.383 0.010 1 594 99 99 ALA HA H 4.604 0.010 1 595 99 99 ALA C C 175.590 0.010 1 596 99 99 ALA N N 125.331 0.010 1 597 100 100 PRO HA H 4.248 0.010 1 598 100 100 PRO C C 176.280 0.010 1 599 100 100 PRO CA C 64.130 0.010 1 600 100 100 PRO CB C 31.290 0.010 1 601 101 101 VAL H H 7.446 0.010 1 602 101 101 VAL HA H 4.115 0.010 1 603 101 101 VAL C C 176.080 0.010 1 604 101 101 VAL CA C 61.680 0.010 1 605 101 101 VAL CB C 32.980 0.010 1 606 101 101 VAL N N 115.974 0.010 1 607 102 102 GLY H H 8.275 0.010 1 608 102 102 GLY HA2 H 4.037 0.010 2 609 102 102 GLY HA3 H 3.876 0.010 2 610 102 102 GLY C C 173.740 0.010 1 611 102 102 GLY CA C 45.360 0.010 1 612 102 102 GLY N N 112.738 0.010 1 613 103 103 GLN H H 8.367 0.010 1 614 103 103 GLN HE21 H 7.440 0.01 1 615 103 103 GLN HE22 H 6.861 0.01 1 616 103 103 GLN C C 175.610 0.010 1 617 103 103 GLN N N 119.231 0.010 1 618 103 103 GLN NE2 N 112.524 0.028 1 619 104 104 SER H H 8.200 0.010 1 620 104 104 SER C C 174.640 0.010 1 621 104 104 SER N N 115.887 0.010 1 622 105 105 SER HA H 4.427 0.010 1 623 105 105 SER C C 174.170 0.010 1 624 105 105 SER CA C 58.440 0.010 1 625 105 105 SER CB C 63.900 0.010 1 626 106 106 SER H H 8.296 0.010 1 627 106 106 SER C C 174.260 0.010 1 628 106 106 SER CA C 55.510 0.010 1 629 106 106 SER N N 118.377 0.010 1 630 107 107 PRO HA H 4.174 0.010 1 631 107 107 PRO C C 176.620 0.010 1 632 107 107 PRO CA C 64.080 0.010 1 633 107 107 PRO CB C 31.730 0.010 1 634 108 108 TYR H H 7.575 0.010 1 635 108 108 TYR HA H 4.721 0.010 1 636 108 108 TYR C C 175.150 0.010 1 637 108 108 TYR CA C 57.260 0.010 1 638 108 108 TYR CB C 38.550 0.010 1 639 108 108 TYR N N 115.021 0.010 1 640 109 109 ASP H H 7.235 0.010 1 641 109 109 ASP HA H 4.852 0.010 1 642 109 109 ASP C C 174.550 0.010 1 643 109 109 ASP CA C 54.020 0.010 1 644 109 109 ASP CB C 41.950 0.010 1 645 109 109 ASP N N 119.686 0.010 1 646 110 110 TYR H H 8.114 0.010 1 647 110 110 TYR HA H 4.135 0.010 1 648 110 110 TYR C C 173.900 0.010 1 649 110 110 TYR CA C 58.370 0.010 1 650 110 110 TYR CB C 40.510 0.010 1 651 110 110 TYR N N 119.265 0.010 1 652 111 111 ASP H H 7.447 0.010 1 653 111 111 ASP HA H 4.465 0.010 1 654 111 111 ASP C C 175.100 0.010 1 655 111 111 ASP CA C 56.370 0.010 1 656 111 111 ASP CB C 44.470 0.010 1 657 111 111 ASP N N 118.288 0.010 1 658 112 112 TYR H H 7.735 0.010 1 659 112 112 TYR HA H 5.047 0.010 1 660 112 112 TYR C C 173.100 0.010 1 661 112 112 TYR CA C 56.160 0.010 1 662 112 112 TYR CB C 42.660 0.010 1 663 112 112 TYR N N 115.494 0.010 1 664 113 113 TRP H H 8.697 0.010 1 665 113 113 TRP HA H 5.040 0.010 1 666 113 113 TRP HE1 H 9.179 0.01 1 667 113 113 TRP C C 177.780 0.010 1 668 113 113 TRP CA C 56.150 0.010 1 669 113 113 TRP CB C 33.090 0.010 1 670 113 113 TRP N N 121.336 0.010 1 671 113 113 TRP NE1 N 127.502 0.1 1 672 114 114 GLY H H 9.298 0.010 1 673 114 114 GLY HA2 H 4.621 0.010 2 674 114 114 GLY HA3 H 4.250 0.010 2 675 114 114 GLY C C 173.610 0.010 1 676 114 114 GLY CA C 44.500 0.010 1 677 114 114 GLY N N 110.911 0.010 1 678 115 115 GLN H H 8.592 0.010 1 679 115 115 GLN HA H 4.384 0.010 1 680 115 115 GLN HE21 H 7.796 0.01 1 681 115 115 GLN HE22 H 6.967 0.01 1 682 115 115 GLN C C 177.600 0.010 1 683 115 115 GLN CA C 57.620 0.010 1 684 115 115 GLN CB C 30.020 0.010 1 685 115 115 GLN N N 117.969 0.010 1 686 115 115 GLN NE2 N 112.957 0.003 1 687 116 116 GLY H H 10.057 0.010 1 688 116 116 GLY HA2 H 3.880 0.010 2 689 116 116 GLY HA3 H 3.726 0.010 2 690 116 116 GLY C C 173.840 0.010 1 691 116 116 GLY CA C 44.660 0.010 1 692 116 116 GLY N N 112.847 0.010 1 693 117 117 THR H H 8.983 0.010 1 694 117 117 THR HA H 4.723 0.010 1 695 117 117 THR C C 172.860 0.010 1 696 117 117 THR CA C 60.060 0.010 1 697 117 117 THR CB C 71.010 0.010 1 698 117 117 THR N N 118.441 0.010 1 699 118 118 GLN H H 8.715 0.010 1 700 118 118 GLN HA H 4.394 0.010 1 701 118 118 GLN HE21 H 6.974 0.01 1 702 118 118 GLN HE22 H 6.672 0.01 1 703 118 118 GLN C C 175.370 0.010 1 704 118 118 GLN CA C 56.850 0.010 1 705 118 118 GLN CB C 29.460 0.010 1 706 118 118 GLN N N 130.199 0.010 1 707 118 118 GLN NE2 N 112.550 0.015 1 708 119 119 VAL H H 8.857 0.010 1 709 119 119 VAL HA H 4.504 0.010 1 710 119 119 VAL C C 174.670 0.010 1 711 119 119 VAL CA C 62.340 0.010 1 712 119 119 VAL CB C 29.460 0.010 1 713 119 119 VAL N N 129.471 0.010 1 714 120 120 THR H H 8.576 0.010 1 715 120 120 THR HA H 4.586 0.010 1 716 120 120 THR C C 171.660 0.010 1 717 120 120 THR CA C 61.890 0.010 1 718 120 120 THR CB C 70.600 0.010 1 719 120 120 THR N N 125.154 0.010 1 720 121 121 VAL H H 8.395 0.010 1 721 121 121 VAL HA H 4.814 0.010 1 722 121 121 VAL C C 175.890 0.010 1 723 121 121 VAL CA C 60.110 0.010 1 724 121 121 VAL CB C 31.240 0.010 1 725 121 121 VAL N N 128.821 0.010 1 726 122 122 SER H H 8.608 0.010 1 727 122 122 SER HA H 4.724 0.010 1 728 122 122 SER C C 173.890 0.010 1 729 122 122 SER CA C 57.110 0.010 1 730 122 122 SER N N 119.387 0.010 1 731 123 123 SER HA H 4.497 0.010 1 732 123 123 SER C C 174.200 0.010 1 733 123 123 SER CA C 58.820 0.010 1 734 123 123 SER CB C 63.830 0.010 1 735 124 124 LEU H H 8.233 0.010 1 736 124 124 LEU C C 175.050 0.010 1 737 124 124 LEU CA C 55.580 0.010 1 738 124 124 LEU CB C 42.010 0.010 1 739 124 124 LEU N N 123.372 0.010 1 740 125 125 GLU H H 8.428 0.010 1 741 125 125 GLU C C 177.310 0.010 1 742 125 125 GLU CA C 57.910 0.010 1 743 125 125 GLU CB C 30.000 0.010 1 744 125 125 GLU N N 123.616 0.010 1 745 126 126 VAL H H 7.961 0.010 1 746 126 126 VAL C C 176.010 0.010 1 747 126 126 VAL CA C 56.760 0.010 1 748 126 126 VAL CB C 32.470 0.010 1 749 126 126 VAL N N 118.527 0.010 1 750 127 127 LEU H H 7.962 0.010 1 751 127 127 LEU CA C 55.410 0.010 1 752 127 127 LEU CB C 42.130 0.010 1 753 127 127 LEU N N 123.032 0.010 1 754 128 128 PHE H H 7.997 0.010 1 755 128 128 PHE C C 176.910 0.010 1 756 128 128 PHE CA C 57.820 0.010 1 757 128 128 PHE CB C 39.650 0.010 1 758 128 128 PHE N N 119.676 0.010 1 759 129 129 GLN H H 7.620 0.010 1 760 129 129 GLN HA H 4.162 0.010 1 761 129 129 GLN HE21 H 6.791 0.01 1 762 129 129 GLN HE22 H 7.515 0.01 1 763 129 129 GLN C C 180.280 0.010 1 764 129 129 GLN CA C 57.460 0.010 1 765 129 129 GLN N N 125.780 0.010 1 766 129 129 GLN NE2 N 112.125 0.012 1 stop_ save_