data_26936 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C, and 15N Backbone Chemical Shift Assignments of camelid single-domain antibodies against active state of mu-opioid receptor. ; _BMRB_accession_number 26936 _BMRB_flat_file_name bmr26936.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" 279 "13C chemical shifts" 369 "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 26937 'nanobody 39' 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 33' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'nanobody 33' $Nb33 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_Nb33 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Nb33 _Molecular_mass . _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 129 _Mol_residue_sequence ; SQVQLVESGGGLVRPGGSRR LSCVDSERTSYPMGWFRRAP GKEREFVASITWSGIDPTYA DSVADRFTISRDVANNTLYL 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 ARG 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 ILE 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 $Nb33 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 $Nb33 '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 $Nb33 1.2 mM '[U-99% 13C; U-99% 15N]' D2O 10 % 'natural abundance' H2O 90 % '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 33' _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 8.172 0.01 1 2 1 1 SER C C 174.270 0.1 1 3 1 1 SER CA C 58.580 0.1 1 4 1 1 SER CB C 63.970 0.1 1 5 1 1 SER N N 115.694 0.1 1 6 2 2 GLN H H 8.447 0.01 1 7 2 2 GLN HA H 4.395 0.01 1 8 2 2 GLN HE21 H 6.880 0.01 1 9 2 2 GLN HE22 H 7.545 0.01 1 10 2 2 GLN C C 175.260 0.1 1 11 2 2 GLN CA C 55.700 0.1 1 12 2 2 GLN CB C 29.940 0.1 1 13 2 2 GLN N N 122.228 0.1 1 14 2 2 GLN NE2 N 112.481 0.006 1 15 3 3 VAL H H 7.853 0.01 1 16 3 3 VAL HA H 3.821 0.01 1 17 3 3 VAL C C 175.720 0.1 1 18 3 3 VAL CA C 62.450 0.1 1 19 3 3 VAL CB C 33.260 0.1 1 20 3 3 VAL N N 122.399 0.1 1 21 4 4 GLN H H 8.823 0.01 1 22 4 4 GLN HA H 4.472 0.01 1 23 4 4 GLN HE21 H 6.769 0.01 1 24 4 4 GLN HE22 H 7.439 0.01 1 25 4 4 GLN C C 173.930 0.1 1 26 4 4 GLN CA C 54.580 0.1 1 27 4 4 GLN CB C 29.760 0.1 1 28 4 4 GLN N N 128.779 0.1 1 29 4 4 GLN NE2 N 111.886 0.002 1 30 5 5 LEU H H 8.227 0.01 1 31 5 5 LEU HA H 4.574 0.01 1 32 5 5 LEU C C 176.970 0.1 1 33 5 5 LEU CA C 53.970 0.1 1 34 5 5 LEU CB C 42.480 0.1 1 35 5 5 LEU N N 124.843 0.1 1 36 6 6 VAL H H 8.689 0.01 1 37 6 6 VAL HA H 4.281 0.01 1 38 6 6 VAL C C 176.710 0.1 1 39 6 6 VAL CA C 62.900 0.1 1 40 6 6 VAL CB C 33.080 0.1 1 41 6 6 VAL N N 124.938 0.1 1 42 7 7 GLU H H 9.052 0.01 1 43 7 7 GLU HA H 5.579 0.01 1 44 7 7 GLU C C 176.590 0.1 1 45 7 7 GLU CA C 55.270 0.1 1 46 7 7 GLU CB C 32.680 0.1 1 47 7 7 GLU N N 130.598 0.1 1 48 8 8 SER H H 9.092 0.01 1 49 8 8 SER HA H 4.929 0.01 1 50 8 8 SER C C 173.630 0.1 1 51 8 8 SER CA C 57.590 0.1 1 52 8 8 SER CB C 65.620 0.1 1 53 8 8 SER N N 115.711 0.001 1 54 9 9 GLY H H 8.482 0.01 1 55 9 9 GLY HA2 H 4.812 0.01 2 56 9 9 GLY HA3 H 3.739 0.01 2 57 9 9 GLY C C 175.240 0.1 1 58 9 9 GLY CA C 45.350 0.1 1 59 9 9 GLY N N 107.755 0.1 1 60 10 10 GLY H H 7.933 0.01 1 61 10 10 GLY HA2 H 3.921 0.01 2 62 10 10 GLY HA3 H 3.621 0.01 2 63 10 10 GLY C C 173.360 0.1 1 64 10 10 GLY CA C 45.400 0.1 1 65 10 10 GLY N N 107.500 0.1 1 66 11 11 GLY H H 8.161 0.01 1 67 11 11 GLY HA2 H 4.417 0.01 2 68 11 11 GLY HA3 H 3.805 0.01 2 69 11 11 GLY C C 171.220 0.1 1 70 11 11 GLY CA C 44.830 0.1 1 71 11 11 GLY N N 107.582 0.001 1 72 12 12 LEU H H 8.099 0.01 1 73 12 12 LEU HA H 5.164 0.01 1 74 12 12 LEU C C 176.740 0.1 1 75 12 12 LEU CA C 54.490 0.1 1 76 12 12 LEU CB C 43.880 0.1 1 77 12 12 LEU N N 122.869 0.1 1 78 13 13 VAL H H 9.069 0.01 1 79 13 13 VAL HA H 4.469 0.01 1 80 13 13 VAL C C 173.010 0.1 1 81 13 13 VAL CA C 59.670 0.1 1 82 13 13 VAL CB C 35.490 0.1 1 83 13 13 VAL N N 123.259 0.001 1 84 14 14 ARG H H 8.160 0.01 1 85 14 14 ARG HA H 4.845 0.01 1 86 14 14 ARG C C 174.560 0.1 1 87 14 14 ARG CA C 53.870 0.1 1 88 14 14 ARG CB C 29.390 0.1 1 89 14 14 ARG N N 123.240 0.1 1 90 15 15 PRO HA H 3.816 0.01 1 91 15 15 PRO C C 177.870 0.1 1 92 15 15 PRO CA C 63.710 0.1 1 93 15 15 PRO CB C 31.000 0.1 1 94 16 16 GLY H H 9.805 0.01 1 95 16 16 GLY HA2 H 4.363 0.01 2 96 16 16 GLY HA3 H 3.519 0.01 2 97 16 16 GLY C C 175.220 0.1 1 98 16 16 GLY CA C 45.160 0.1 1 99 16 16 GLY N N 114.537 0.001 1 100 17 17 GLY H H 8.424 0.01 1 101 17 17 GLY HA2 H 4.285 0.01 2 102 17 17 GLY HA3 H 3.716 0.01 2 103 17 17 GLY C C 170.640 0.1 1 104 17 17 GLY CA C 44.580 0.1 1 105 17 17 GLY N N 109.461 0.001 1 106 18 18 SER H H 8.017 0.01 1 107 18 18 SER HA H 5.587 0.01 1 108 18 18 SER C C 173.990 0.1 1 109 18 18 SER CA C 56.280 0.1 1 110 18 18 SER CB C 67.450 0.1 1 111 18 18 SER N N 109.558 0.001 1 112 19 19 ARG H H 8.652 0.01 1 113 19 19 ARG HA H 4.343 0.01 1 114 19 19 ARG C C 172.620 0.1 1 115 19 19 ARG CA C 55.160 0.1 1 116 19 19 ARG CB C 36.700 0.1 1 117 19 19 ARG N N 121.216 0.001 1 118 20 20 ARG H H 8.439 0.01 1 119 20 20 ARG HA H 5.073 0.01 1 120 20 20 ARG C C 175.460 0.1 1 121 20 20 ARG CA C 54.610 0.1 1 122 20 20 ARG CB C 32.490 0.1 1 123 20 20 ARG N N 124.363 0.001 1 124 21 21 LEU H H 8.799 0.01 1 125 21 21 LEU HA H 5.136 0.01 1 126 21 21 LEU C C 177.110 0.1 1 127 21 21 LEU CA C 53.020 0.1 1 128 21 21 LEU CB C 43.680 0.1 1 129 21 21 LEU N N 126.779 0.1 1 130 22 22 SER H H 8.829 0.01 1 131 22 22 SER HA H 5.804 0.01 1 132 22 22 SER C C 173.770 0.1 1 133 22 22 SER CA C 56.430 0.1 1 134 22 22 SER CB C 67.830 0.1 1 135 22 22 SER N N 113.227 0.1 1 136 23 23 CYS H H 9.053 0.01 1 137 23 23 CYS HA H 5.515 0.01 1 138 23 23 CYS C C 171.520 0.1 1 139 23 23 CYS CA C 53.270 0.1 1 140 23 23 CYS CB C 42.860 0.1 1 141 23 23 CYS N N 121.141 0.1 1 142 24 24 VAL H H 8.448 0.01 1 143 24 24 VAL HA H 4.928 0.01 1 144 24 24 VAL C C 173.260 0.1 1 145 24 24 VAL CA C 59.760 0.1 1 146 24 24 VAL CB C 36.540 0.1 1 147 24 24 VAL N N 124.966 0.1 1 148 25 25 ASP H H 6.534 0.01 1 149 25 25 ASP HA H 5.200 0.01 1 150 25 25 ASP C C 179.330 0.1 1 151 25 25 ASP CA C 52.970 0.1 1 152 25 25 ASP CB C 41.520 0.1 1 153 25 25 ASP N N 121.415 0.1 1 154 26 26 SER H H 9.600 0.01 1 155 26 26 SER HA H 4.263 0.01 1 156 26 26 SER C C 175.740 0.1 1 157 26 26 SER CA C 61.290 0.1 1 158 26 26 SER CB C 63.170 0.1 1 159 26 26 SER N N 123.487 0.1 1 160 27 27 GLU H H 8.285 0.01 1 161 27 27 GLU HA H 4.381 0.01 1 162 27 27 GLU C C 176.450 0.1 1 163 27 27 GLU CA C 56.420 0.1 1 164 27 27 GLU CB C 30.070 0.1 1 165 27 27 GLU N N 120.027 0.1 1 166 28 28 ARG H H 7.872 0.01 1 167 28 28 ARG HA H 3.583 0.01 1 168 28 28 ARG C C 174.610 0.1 1 169 28 28 ARG CA C 58.030 0.1 1 170 28 28 ARG CB C 26.960 0.1 1 171 28 28 ARG N N 112.819 0.1 1 172 29 29 THR H H 7.748 0.01 1 173 29 29 THR HA H 4.001 0.01 1 174 29 29 THR C C 172.660 0.1 1 175 29 29 THR CA C 62.290 0.1 1 176 29 29 THR CB C 68.710 0.1 1 177 29 29 THR N N 108.528 0.001 1 178 30 30 SER H H 7.744 0.01 1 179 30 30 SER HA H 4.306 0.01 1 180 30 30 SER C C 172.480 0.1 1 181 30 30 SER CA C 57.690 0.1 1 182 30 30 SER CB C 66.290 0.1 1 183 30 30 SER N N 115.446 0.1 1 184 31 31 TYR H H 9.048 0.01 1 185 31 31 TYR HA H 5.693 0.01 1 186 31 31 TYR C C 175.110 0.1 1 187 31 31 TYR CA C 52.970 0.1 1 188 31 31 TYR CB C 39.760 0.1 1 189 31 31 TYR N N 116.441 0.1 1 190 32 32 PRO HA H 4.135 0.01 1 191 32 32 PRO C C 176.610 0.1 1 192 32 32 PRO CA C 63.870 0.1 1 193 32 32 PRO CB C 33.060 0.1 1 194 33 33 MET H H 8.916 0.01 1 195 33 33 MET HA H 4.481 0.01 1 196 33 33 MET C C 172.220 0.1 1 197 33 33 MET CA C 57.590 0.1 1 198 33 33 MET CB C 41.350 0.1 1 199 33 33 MET N N 126.987 0.1 1 200 34 34 GLY H H 7.829 0.01 1 201 34 34 GLY HA2 H 4.965 0.01 2 202 34 34 GLY HA3 H 3.312 0.01 2 203 34 34 GLY C C 169.780 0.1 1 204 34 34 GLY CA C 44.750 0.1 1 205 34 34 GLY N N 106.301 0.1 1 206 35 35 TRP H H 9.180 0.01 1 207 35 35 TRP HA H 5.777 0.01 1 208 35 35 TRP HE1 H 7.596 0.01 1 209 35 35 TRP C C 174.820 0.1 1 210 35 35 TRP CA C 55.880 0.1 1 211 35 35 TRP CB C 34.100 0.1 1 212 35 35 TRP N N 115.358 0.1 1 213 35 35 TRP NE1 N 122.020 0.1 1 214 36 36 PHE H H 9.710 0.01 1 215 36 36 PHE HA H 5.267 0.01 1 216 36 36 PHE C C 174.710 0.1 1 217 36 36 PHE CA C 56.310 0.1 1 218 36 36 PHE CB C 44.380 0.1 1 219 36 36 PHE N N 122.492 0.1 1 220 37 37 ARG H H 9.934 0.01 1 221 37 37 ARG HA H 5.913 0.01 1 222 37 37 ARG C C 173.570 0.1 1 223 37 37 ARG CA C 54.570 0.1 1 224 37 37 ARG CB C 32.660 0.1 1 225 37 37 ARG N N 116.696 0.1 1 226 38 38 ARG H H 9.425 0.01 1 227 38 38 ARG HA H 4.895 0.01 1 228 38 38 ARG C C 175.180 0.1 1 229 38 38 ARG CA C 55.790 0.1 1 230 38 38 ARG CB C 35.540 0.1 1 231 38 38 ARG N N 121.385 0.001 1 232 39 39 ALA H H 9.687 0.01 1 233 39 39 ALA HA H 4.901 0.01 1 234 39 39 ALA C C 174.520 0.1 1 235 39 39 ALA CA C 50.360 0.1 1 236 39 39 ALA CB C 18.210 0.1 1 237 39 39 ALA N N 136.931 0.1 1 238 41 41 GLY HA2 H 4.117 0.01 2 239 41 41 GLY HA3 H 3.762 0.01 2 240 41 41 GLY C C 174.180 0.1 1 241 41 41 GLY CA C 45.880 0.1 1 242 42 42 LYS H H 7.960 0.01 1 243 42 42 LYS HA H 4.793 0.01 1 244 42 42 LYS C C 176.100 0.1 1 245 42 42 LYS CA C 54.610 0.1 1 246 42 42 LYS CB C 35.390 0.1 1 247 42 42 LYS N N 120.180 0.1 1 248 43 43 GLU H H 8.213 0.01 1 249 43 43 GLU HA H 4.403 0.01 1 250 43 43 GLU C C 176.670 0.1 1 251 43 43 GLU CA C 55.370 0.1 1 252 43 43 GLU CB C 30.960 0.1 1 253 43 43 GLU N N 118.071 0.1 1 254 44 44 ARG H H 8.747 0.01 1 255 44 44 ARG HA H 4.517 0.01 1 256 44 44 ARG C C 175.670 0.1 1 257 44 44 ARG CA C 57.460 0.1 1 258 44 44 ARG CB C 30.970 0.1 1 259 44 44 ARG N N 121.959 0.1 1 260 45 45 GLU H H 9.885 0.01 1 261 45 45 GLU HA H 5.126 0.01 1 262 45 45 GLU C C 175.200 0.1 1 263 45 45 GLU CA C 54.120 0.1 1 264 45 45 GLU CB C 34.070 0.1 1 265 45 45 GLU N N 125.540 0.1 1 266 46 46 PHE H H 8.952 0.01 1 267 46 46 PHE HA H 3.506 0.01 1 268 46 46 PHE C C 174.120 0.1 1 269 46 46 PHE CA C 59.560 0.1 1 270 46 46 PHE CB C 39.940 0.1 1 271 46 46 PHE N N 124.867 0.1 1 272 47 47 VAL H H 7.181 0.01 1 273 47 47 VAL HA H 3.871 0.01 1 274 47 47 VAL C C 172.490 0.1 1 275 47 47 VAL CA C 64.190 0.1 1 276 47 47 VAL CB C 33.410 0.1 1 277 47 47 VAL N N 125.522 0.001 1 278 48 48 ALA H H 7.331 0.01 1 279 48 48 ALA HA H 4.872 0.01 1 280 48 48 ALA C C 174.520 0.1 1 281 48 48 ALA CA C 52.010 0.1 1 282 48 48 ALA CB C 23.230 0.1 1 283 48 48 ALA N N 115.931 0.1 1 284 49 49 SER H H 9.235 0.01 1 285 49 49 SER HA H 5.302 0.01 1 286 49 49 SER C C 171.660 0.1 1 287 49 49 SER CA C 57.760 0.1 1 288 49 49 SER CB C 67.420 0.1 1 289 49 49 SER N N 113.542 0.1 1 290 50 50 ILE H H 8.644 0.01 1 291 50 50 ILE HA H 4.545 0.01 1 292 50 50 ILE C C 173.240 0.1 1 293 50 50 ILE CA C 60.670 0.1 1 294 50 50 ILE CB C 43.060 0.1 1 295 50 50 ILE N N 119.527 0.1 1 296 51 51 THR H H 7.253 0.01 1 297 51 51 THR HA H 4.581 0.01 1 298 51 51 THR C C 177.050 0.1 1 299 51 51 THR CA C 62.250 0.1 1 300 51 51 THR CB C 71.590 0.1 1 301 51 51 THR N N 112.067 0.1 1 302 52 52 TRP H H 9.034 0.01 1 303 52 52 TRP HA H 3.954 0.01 1 304 52 52 TRP HE1 H 8.600 0.01 1 305 52 52 TRP C C 177.930 0.1 1 306 52 52 TRP CA C 61.460 0.1 1 307 52 52 TRP CB C 28.800 0.1 1 308 52 52 TRP N N 121.928 0.1 1 309 52 52 TRP NE1 N 127.161 0.1 1 310 53 53 SER H H 7.699 0.01 1 311 53 53 SER HA H 3.903 0.01 1 312 53 53 SER C C 174.960 0.1 1 313 53 53 SER CA C 58.640 0.1 1 314 53 53 SER CB C 63.190 0.1 1 315 53 53 SER N N 110.306 0.1 1 316 54 54 GLY H H 8.200 0.01 1 317 54 54 GLY HA2 H 4.246 0.01 2 318 54 54 GLY HA3 H 3.434 0.01 2 319 54 54 GLY C C 173.470 0.1 1 320 54 54 GLY CA C 46.090 0.1 1 321 54 54 GLY N N 108.603 0.1 1 322 55 55 ILE H H 7.064 0.01 1 323 55 55 ILE HA H 4.720 0.01 1 324 55 55 ILE C C 174.440 0.1 1 325 55 55 ILE CA C 59.680 0.1 1 326 55 55 ILE CB C 41.200 0.1 1 327 55 55 ILE N N 113.655 0.001 1 328 56 56 ASP H H 8.726 0.01 1 329 56 56 ASP HA H 4.612 0.01 1 330 56 56 ASP C C 172.320 0.1 1 331 56 56 ASP CA C 54.770 0.1 1 332 56 56 ASP CB C 40.200 0.1 1 333 56 56 ASP N N 117.683 0.001 1 334 57 57 PRO HA H 5.043 0.01 1 335 57 57 PRO C C 177.010 0.1 1 336 57 57 PRO CA C 63.070 0.1 1 337 57 57 PRO CB C 33.620 0.1 1 338 58 58 THR H H 8.679 0.01 1 339 58 58 THR HA H 4.537 0.01 1 340 58 58 THR C C 172.310 0.1 1 341 58 58 THR CA C 62.180 0.1 1 342 58 58 THR CB C 71.520 0.1 1 343 58 58 THR N N 117.383 0.001 1 344 59 59 TYR H H 8.800 0.01 1 345 59 59 TYR HA H 5.123 0.01 1 346 59 59 TYR C C 176.920 0.1 1 347 59 59 TYR CA C 57.400 0.1 1 348 59 59 TYR CB C 43.110 0.1 1 349 59 59 TYR N N 120.023 0.1 1 350 60 60 ALA H H 8.412 0.01 1 351 60 60 ALA HA H 4.591 0.01 1 352 60 60 ALA C C 179.150 0.1 1 353 60 60 ALA CA C 52.570 0.1 1 354 60 60 ALA CB C 19.600 0.1 1 355 60 60 ALA N N 125.617 0.002 1 356 61 61 ASP H H 8.995 0.01 1 357 61 61 ASP HA H 4.359 0.01 1 358 61 61 ASP C C 178.500 0.1 1 359 61 61 ASP CA C 57.680 0.1 1 360 61 61 ASP CB C 40.500 0.1 1 361 61 61 ASP N N 123.124 0.1 1 362 62 62 SER H H 8.205 0.01 1 363 62 62 SER HA H 4.201 0.01 1 364 62 62 SER C C 175.920 0.1 1 365 62 62 SER CA C 60.130 0.1 1 366 62 62 SER CB C 62.950 0.1 1 367 62 62 SER N N 110.712 0.001 1 368 63 63 VAL H H 7.282 0.01 1 369 63 63 VAL HA H 4.136 0.01 1 370 63 63 VAL C C 175.740 0.1 1 371 63 63 VAL CA C 60.600 0.1 1 372 63 63 VAL CB C 32.030 0.1 1 373 63 63 VAL N N 111.663 0.1 1 374 64 64 ALA H H 7.219 0.01 1 375 64 64 ALA HA H 3.552 0.01 1 376 64 64 ALA C C 177.490 0.1 1 377 64 64 ALA CA C 54.620 0.1 1 378 64 64 ALA CB C 18.760 0.1 1 379 64 64 ALA N N 125.864 0.001 1 380 65 65 ASP H H 8.645 0.01 1 381 65 65 ASP HA H 4.304 0.01 1 382 65 65 ASP C C 176.390 0.1 1 383 65 65 ASP CA C 55.780 0.1 1 384 65 65 ASP CB C 42.630 0.1 1 385 65 65 ASP N N 114.942 0.1 1 386 66 66 ARG H H 7.645 0.01 1 387 66 66 ARG HA H 4.604 0.01 1 388 66 66 ARG C C 175.440 0.1 1 389 66 66 ARG CA C 57.490 0.1 1 390 66 66 ARG CB C 31.940 0.1 1 391 66 66 ARG N N 116.477 0.1 1 392 67 67 PHE H H 7.786 0.01 1 393 67 67 PHE HA H 5.942 0.01 1 394 67 67 PHE C C 174.900 0.1 1 395 67 67 PHE CA C 52.880 0.1 1 396 67 67 PHE CB C 39.430 0.1 1 397 67 67 PHE N N 120.514 0.1 1 398 68 68 THR H H 8.897 0.01 1 399 68 68 THR HA H 5.244 0.01 1 400 68 68 THR C C 174.420 0.1 1 401 68 68 THR CA C 61.160 0.1 1 402 68 68 THR CB C 72.130 0.1 1 403 68 68 THR N N 112.195 0.001 1 404 69 69 ILE H H 9.294 0.01 1 405 69 69 ILE HA H 5.474 0.01 1 406 69 69 ILE C C 171.590 0.1 1 407 69 69 ILE CA C 58.360 0.1 1 408 69 69 ILE CB C 41.710 0.1 1 409 69 69 ILE N N 131.862 0.1 1 410 70 70 SER H H 8.481 0.01 1 411 70 70 SER HA H 4.652 0.01 1 412 70 70 SER C C 171.930 0.1 1 413 70 70 SER CA C 57.670 0.1 1 414 70 70 SER CB C 65.720 0.1 1 415 70 70 SER N N 118.175 0.1 1 416 71 71 ARG H H 9.145 0.01 1 417 71 71 ARG HA H 5.204 0.01 1 418 71 71 ARG C C 173.630 0.1 1 419 71 71 ARG CA C 54.890 0.1 1 420 71 71 ARG CB C 35.680 0.1 1 421 71 71 ARG N N 121.397 0.1 1 422 72 72 ASP H H 9.232 0.01 1 423 72 72 ASP HA H 4.874 0.01 1 424 72 72 ASP C C 176.890 0.1 1 425 72 72 ASP CA C 52.090 0.1 1 426 72 72 ASP CB C 41.660 0.1 1 427 72 72 ASP N N 126.269 0.1 1 428 73 73 VAL H H 8.441 0.01 1 429 73 73 VAL HA H 3.342 0.01 1 430 73 73 VAL C C 179.390 0.1 1 431 73 73 VAL CA C 66.380 0.1 1 432 73 73 VAL CB C 31.990 0.1 1 433 73 73 VAL N N 124.784 0.001 1 434 74 74 ALA H H 8.463 0.01 1 435 74 74 ALA HA H 4.170 0.01 1 436 74 74 ALA C C 179.490 0.1 1 437 74 74 ALA CA C 55.320 0.1 1 438 74 74 ALA CB C 18.320 0.1 1 439 74 74 ALA N N 123.522 0.001 1 440 75 75 ASN H H 7.525 0.01 1 441 75 75 ASN HA H 4.916 0.01 1 442 75 75 ASN HD21 H 6.948 0.01 1 443 75 75 ASN HD22 H 8.626 0.01 1 444 75 75 ASN C C 175.540 0.1 1 445 75 75 ASN CA C 52.630 0.1 1 446 75 75 ASN CB C 38.750 0.1 1 447 75 75 ASN N N 111.656 0.1 1 448 75 75 ASN ND2 N 116.799 0.009 1 449 76 76 ASN H H 8.218 0.01 1 450 76 76 ASN HA H 4.382 0.01 1 451 76 76 ASN HD21 H 8.255 0.01 1 452 76 76 ASN HD22 H 8.438 0.01 1 453 76 76 ASN C C 172.770 0.1 1 454 76 76 ASN CA C 54.160 0.1 1 455 76 76 ASN CB C 38.420 0.1 1 456 76 76 ASN N N 123.628 0.1 1 457 76 76 ASN ND2 N 112.134 0.006 1 458 77 77 THR H H 7.866 0.01 1 459 77 77 THR HA H 4.957 0.01 1 460 77 77 THR C C 170.700 0.1 1 461 77 77 THR CA C 61.490 0.1 1 462 77 77 THR CB C 71.660 0.1 1 463 77 77 THR N N 109.264 0.001 1 464 78 78 LEU H H 9.184 0.01 1 465 78 78 LEU HA H 4.852 0.01 1 466 78 78 LEU C C 174.480 0.1 1 467 78 78 LEU CA C 52.810 0.1 1 468 78 78 LEU CB C 48.090 0.1 1 469 78 78 LEU N N 129.633 0.1 1 470 79 79 TYR H H 9.311 0.01 1 471 79 79 TYR HA H 5.848 0.01 1 472 79 79 TYR C C 176.510 0.1 1 473 79 79 TYR CA C 57.110 0.1 1 474 79 79 TYR CB C 42.270 0.1 1 475 79 79 TYR N N 123.779 0.1 1 476 80 80 LEU H H 8.753 0.01 1 477 80 80 LEU HA H 4.703 0.01 1 478 80 80 LEU C C 174.250 0.1 1 479 80 80 LEU CA C 53.630 0.1 1 480 80 80 LEU CB C 43.080 0.1 1 481 80 80 LEU N N 122.408 0.1 1 482 81 81 GLN H H 9.181 0.01 1 483 81 81 GLN HA H 4.260 0.01 1 484 81 81 GLN HE21 H 7.039 0.01 1 485 81 81 GLN HE22 H 6.895 0.01 1 486 81 81 GLN C C 174.100 0.1 1 487 81 81 GLN CA C 54.880 0.1 1 488 81 81 GLN CB C 29.130 0.1 1 489 81 81 GLN N N 128.818 0.1 1 490 81 81 GLN NE2 N 113.167 0.008 1 491 82 82 MET H H 8.818 0.01 1 492 82 82 MET HA H 3.858 0.01 1 493 82 82 MET C C 173.360 0.1 1 494 82 82 MET CA C 54.570 0.1 1 495 82 82 MET CB C 34.970 0.1 1 496 82 82 MET N N 127.432 0.1 1 497 83 83 ASN H H 7.462 0.01 1 498 83 83 ASN HA H 5.118 0.01 1 499 83 83 ASN HD21 H 6.834 0.01 1 500 83 83 ASN HD22 H 7.450 0.01 1 501 83 83 ASN C C 173.320 0.1 1 502 83 83 ASN CA C 51.380 0.1 1 503 83 83 ASN CB C 41.290 0.1 1 504 83 83 ASN N N 119.939 0.1 1 505 83 83 ASN ND2 N 113.843 0.014 1 506 84 84 SER H H 8.588 0.01 1 507 84 84 SER HA H 4.109 0.01 1 508 84 84 SER C C 176.100 0.1 1 509 84 84 SER CA C 57.580 0.1 1 510 84 84 SER CB C 62.000 0.1 1 511 84 84 SER N N 111.148 0.001 1 512 85 85 LEU H H 8.101 0.01 1 513 85 85 LEU HA H 3.955 0.01 1 514 85 85 LEU C C 177.140 0.1 1 515 85 85 LEU CA C 56.860 0.1 1 516 85 85 LEU CB C 42.760 0.1 1 517 85 85 LEU N N 118.447 0.001 1 518 86 86 LYS H H 9.528 0.01 1 519 86 86 LYS HA H 4.730 0.01 1 520 86 86 LYS C C 177.590 0.1 1 521 86 86 LYS CA C 54.100 0.1 1 522 86 86 LYS CB C 36.480 0.1 1 523 86 86 LYS N N 121.322 0.1 1 524 87 87 HIS H H 8.910 0.01 1 525 87 87 HIS HA H 4.204 0.01 1 526 87 87 HIS C C 178.730 0.1 1 527 87 87 HIS CA C 61.470 0.1 1 528 87 87 HIS CB C 30.240 0.1 1 529 87 87 HIS N N 121.919 0.1 1 530 88 88 GLU H H 9.494 0.01 1 531 88 88 GLU HA H 4.282 0.01 1 532 88 88 GLU C C 175.960 0.1 1 533 88 88 GLU CA C 58.940 0.1 1 534 88 88 GLU CB C 28.760 0.1 1 535 88 88 GLU N N 116.180 0.1 1 536 89 89 ASP H H 8.360 0.01 1 537 89 89 ASP HA H 4.785 0.01 1 538 89 89 ASP C C 177.010 0.1 1 539 89 89 ASP CA C 55.130 0.1 1 540 89 89 ASP CB C 42.490 0.1 1 541 89 89 ASP N N 117.629 0.1 1 542 90 90 THR H H 7.872 0.01 1 543 90 90 THR HA H 4.561 0.01 1 544 90 90 THR C C 174.400 0.1 1 545 90 90 THR CA C 64.710 0.1 1 546 90 90 THR CB C 69.680 0.1 1 547 90 90 THR N N 120.710 0.001 1 548 91 91 ALA H H 9.079 0.01 1 549 91 91 ALA HA H 4.491 0.01 1 550 91 91 ALA C C 175.360 0.1 1 551 91 91 ALA CA C 52.700 0.1 1 552 91 91 ALA CB C 21.190 0.1 1 553 91 91 ALA N N 127.810 0.1 1 554 92 92 VAL H H 7.563 0.01 1 555 92 92 VAL HA H 4.131 0.01 1 556 92 92 VAL C C 175.260 0.1 1 557 92 92 VAL CA C 62.860 0.1 1 558 92 92 VAL CB C 32.260 0.1 1 559 92 92 VAL N N 118.459 0.1 1 560 93 93 TYR H H 9.179 0.01 1 561 93 93 TYR HA H 4.912 0.01 1 562 93 93 TYR C C 174.710 0.1 1 563 93 93 TYR CA C 57.980 0.1 1 564 93 93 TYR CB C 40.710 0.1 1 565 93 93 TYR N N 127.749 0.1 1 566 94 94 TYR H H 9.540 0.01 1 567 94 94 TYR HA H 5.167 0.01 1 568 94 94 TYR C C 174.860 0.1 1 569 94 94 TYR CA C 56.480 0.1 1 570 94 94 TYR CB C 42.240 0.1 1 571 94 94 TYR N N 119.091 0.1 1 572 95 95 CYS H H 10.462 0.01 1 573 95 95 CYS HA H 3.833 0.01 1 574 95 95 CYS C C 171.330 0.1 1 575 95 95 CYS CA C 54.300 0.1 1 576 95 95 CYS CB C 41.830 0.1 1 577 95 95 CYS N N 125.839 0.1 1 578 96 96 ALA H H 8.322 0.01 1 579 96 96 ALA HA H 4.455 0.01 1 580 96 96 ALA C C 175.730 0.1 1 581 96 96 ALA CA C 49.970 0.1 1 582 96 96 ALA CB C 20.950 0.1 1 583 96 96 ALA N N 127.861 0.1 1 584 97 97 ALA H H 8.927 0.01 1 585 97 97 ALA HA H 5.224 0.01 1 586 97 97 ALA C C 176.280 0.1 1 587 97 97 ALA CA C 50.090 0.1 1 588 97 97 ALA CB C 26.070 0.1 1 589 97 97 ALA N N 123.580 0.1 1 590 98 98 ARG H H 7.961 0.01 1 591 98 98 ARG HA H 5.012 0.01 1 592 98 98 ARG C C 175.530 0.1 1 593 98 98 ARG CA C 54.900 0.1 1 594 98 98 ARG CB C 33.300 0.1 1 595 98 98 ARG N N 120.068 0.1 1 596 99 99 ALA H H 9.470 0.01 1 597 99 99 ALA HA H 4.602 0.01 1 598 99 99 ALA C C 176.800 0.1 1 599 99 99 ALA CA C 50.800 0.1 1 600 99 99 ALA CB C 18.140 0.1 1 601 99 99 ALA N N 125.546 0.1 1 602 100 100 PRO HA H 4.222 0.01 1 603 100 100 PRO C C 176.330 0.1 1 604 100 100 PRO CA C 64.210 0.1 1 605 100 100 PRO CB C 31.510 0.1 1 606 101 101 VAL H H 7.416 0.01 1 607 101 101 VAL HA H 4.115 0.01 1 608 101 101 VAL C C 176.010 0.1 1 609 101 101 VAL CA C 61.670 0.1 1 610 101 101 VAL CB C 32.980 0.1 1 611 101 101 VAL N N 115.533 0.001 1 612 102 102 GLY H H 8.268 0.01 1 613 102 102 GLY HA2 H 4.035 0.01 2 614 102 102 GLY HA3 H 3.880 0.01 2 615 102 102 GLY C C 173.810 0.1 1 616 102 102 GLY CA C 45.370 0.1 1 617 102 102 GLY N N 112.459 0.1 1 618 103 103 GLN H H 8.390 0.01 1 619 103 103 GLN HA H 4.448 0.01 1 620 103 103 GLN HE21 H 6.896 0.01 1 621 103 103 GLN HE22 H 7.460 0.01 1 622 103 103 GLN C C 175.700 0.1 1 623 103 103 GLN CA C 55.440 0.1 1 624 103 103 GLN CB C 30.390 0.1 1 625 103 103 GLN N N 119.339 0.1 1 626 103 103 GLN NE2 N 112.326 0.010 1 627 104 104 SER H H 8.254 0.01 1 628 104 104 SER N N 116.201 0.1 1 629 105 105 SER HA H 4.437 0.01 1 630 105 105 SER C C 174.210 0.1 1 631 105 105 SER CA C 58.550 0.1 1 632 105 105 SER CB C 64.040 0.1 1 633 106 106 SER H H 8.286 0.01 1 634 106 106 SER CA C 55.660 0.1 1 635 106 106 SER CB C 64.140 0.1 1 636 106 106 SER N N 118.391 0.1 1 637 107 107 PRO HA H 4.180 0.01 1 638 107 107 PRO C C 176.600 0.1 1 639 107 107 PRO CA C 64.060 0.1 1 640 107 107 PRO CB C 31.760 0.1 1 641 108 108 TYR H H 7.623 0.01 1 642 108 108 TYR HA H 4.740 0.01 1 643 108 108 TYR C C 175.090 0.1 1 644 108 108 TYR CA C 57.190 0.1 1 645 108 108 TYR CB C 38.650 0.1 1 646 108 108 TYR N N 114.991 0.001 1 647 109 109 ASP H H 7.240 0.01 1 648 109 109 ASP HA H 4.860 0.01 1 649 109 109 ASP C C 174.530 0.1 1 650 109 109 ASP CA C 53.990 0.1 1 651 109 109 ASP CB C 42.070 0.1 1 652 109 109 ASP N N 119.814 0.1 1 653 110 110 TYR H H 8.152 0.01 1 654 110 110 TYR HA H 4.111 0.01 1 655 110 110 TYR C C 173.890 0.1 1 656 110 110 TYR CA C 58.450 0.1 1 657 110 110 TYR CB C 40.500 0.1 1 658 110 110 TYR N N 119.319 0.1 1 659 111 111 ASP H H 7.419 0.01 1 660 111 111 ASP HA H 4.448 0.01 1 661 111 111 ASP C C 175.110 0.1 1 662 111 111 ASP CA C 56.440 0.1 1 663 111 111 ASP CB C 44.470 0.1 1 664 111 111 ASP N N 118.215 0.001 1 665 112 112 TYR H H 7.773 0.01 1 666 112 112 TYR HA H 5.031 0.01 1 667 112 112 TYR C C 173.020 0.1 1 668 112 112 TYR CA C 56.190 0.1 1 669 112 112 TYR CB C 42.690 0.1 1 670 112 112 TYR N N 115.410 0.001 1 671 113 113 TRP H H 8.660 0.01 1 672 113 113 TRP HA H 5.079 0.01 1 673 113 113 TRP HE1 H 9.204 0.01 1 674 113 113 TRP C C 177.840 0.1 1 675 113 113 TRP CA C 55.980 0.1 1 676 113 113 TRP CB C 33.080 0.1 1 677 113 113 TRP N N 121.218 0.1 1 678 113 113 TRP NE1 N 127.553 0.1 1 679 114 114 GLY H H 9.340 0.01 1 680 114 114 GLY HA2 H 4.634 0.01 2 681 114 114 GLY HA3 H 4.227 0.01 2 682 114 114 GLY C C 173.660 0.1 1 683 114 114 GLY CA C 44.470 0.1 1 684 114 114 GLY N N 110.968 0.1 1 685 115 115 GLN H H 8.609 0.01 1 686 115 115 GLN HA H 4.372 0.01 1 687 115 115 GLN HE21 H 6.985 0.01 1 688 115 115 GLN HE22 H 7.801 0.01 1 689 115 115 GLN C C 177.580 0.1 1 690 115 115 GLN CA C 57.690 0.1 1 691 115 115 GLN CB C 30.060 0.1 1 692 115 115 GLN N N 118.016 0.1 1 693 115 115 GLN NE2 N 112.897 0.003 1 694 116 116 GLY H H 10.197 0.01 1 695 116 116 GLY HA2 H 3.914 0.01 2 696 116 116 GLY HA3 H 3.733 0.01 2 697 116 116 GLY C C 173.970 0.1 1 698 116 116 GLY CA C 44.740 0.1 1 699 116 116 GLY N N 113.220 0.1 1 700 117 117 THR H H 9.097 0.01 1 701 117 117 THR HA H 4.739 0.01 1 702 117 117 THR C C 172.810 0.1 1 703 117 117 THR CA C 60.330 0.1 1 704 117 117 THR CB C 70.990 0.1 1 705 117 117 THR N N 118.895 0.1 1 706 118 118 GLN H H 8.768 0.01 1 707 118 118 GLN HA H 4.562 0.01 1 708 118 118 GLN HE21 H 6.563 0.01 1 709 118 118 GLN HE22 H 7.068 0.01 1 710 118 118 GLN C C 175.870 0.1 1 711 118 118 GLN CA C 56.530 0.1 1 712 118 118 GLN CB C 29.620 0.1 1 713 118 118 GLN N N 130.654 0.1 1 714 118 118 GLN NE2 N 111.773 0.004 1 715 119 119 VAL H H 8.935 0.01 1 716 119 119 VAL HA H 4.613 0.01 1 717 119 119 VAL C C 174.350 0.1 1 718 119 119 VAL CA C 62.370 0.1 1 719 119 119 VAL CB C 33.740 0.1 1 720 119 119 VAL N N 128.867 0.001 1 721 120 120 THR H H 8.529 0.01 1 722 120 120 THR HA H 4.576 0.01 1 723 120 120 THR C C 171.820 0.1 1 724 120 120 THR CA C 61.790 0.1 1 725 120 120 THR CB C 70.600 0.1 1 726 120 120 THR N N 124.953 0.1 1 727 121 121 VAL H H 8.517 0.01 1 728 121 121 VAL HA H 4.836 0.01 1 729 121 121 VAL C C 175.760 0.1 1 730 121 121 VAL CA C 60.160 0.1 1 731 121 121 VAL CB C 31.130 0.1 1 732 121 121 VAL N N 129.139 0.1 1 733 122 122 SER H H 8.572 0.01 1 734 122 122 SER HA H 4.740 0.01 1 735 122 122 SER C C 173.700 0.1 1 736 122 122 SER CA C 57.050 0.1 1 737 122 122 SER CB C 65.400 0.1 1 738 122 122 SER N N 119.428 0.001 1 739 123 123 SER HA H 4.574 0.01 1 740 123 123 SER C C 174.380 0.1 1 741 123 123 SER CA C 58.420 0.1 1 742 123 123 SER CB C 63.930 0.1 1 743 124 124 LEU H H 8.335 0.01 1 744 124 124 LEU HA H 4.328 0.01 1 745 124 124 LEU C C 177.060 0.1 1 746 124 124 LEU CA C 55.550 0.1 1 747 124 124 LEU CB C 42.160 0.1 1 748 124 124 LEU N N 123.922 0.1 1 749 125 125 GLU H H 8.410 0.01 1 750 125 125 GLU HA H 4.180 0.01 1 751 125 125 GLU C C 177.230 0.1 1 752 125 125 GLU CA C 57.840 0.1 1 753 125 125 GLU CB C 30.100 0.1 1 754 125 125 GLU N N 123.302 0.1 1 755 126 126 VAL H H 7.948 0.01 1 756 126 126 VAL HA H 4.038 0.01 1 757 126 126 VAL C C 175.950 0.1 1 758 126 126 VAL CA C 62.670 0.1 1 759 126 126 VAL CB C 32.550 0.1 1 760 126 126 VAL N N 118.576 0.1 1 761 127 127 LEU H H 7.988 0.01 1 762 127 127 LEU HA H 4.225 0.01 1 763 127 127 LEU C C 175.950 0.1 1 764 127 127 LEU CA C 55.320 0.1 1 765 127 127 LEU CB C 42.210 0.1 1 766 127 127 LEU N N 123.130 0.1 1 767 128 128 PHE H H 8.028 0.01 1 768 128 128 PHE HA H 4.539 0.01 1 769 128 128 PHE C C 174.820 0.1 1 770 128 128 PHE CA C 57.800 0.1 1 771 128 128 PHE CB C 39.710 0.1 1 772 128 128 PHE N N 119.816 0.1 1 773 129 129 GLN H H 7.652 0.01 1 774 129 129 GLN HA H 4.166 0.01 1 775 129 129 GLN HE21 H 6.810 0.01 1 776 129 129 GLN HE22 H 7.533 0.01 1 777 129 129 GLN C C 180.290 0.1 1 778 129 129 GLN CA C 57.420 0.1 1 779 129 129 GLN CB C 30.580 0.1 1 780 129 129 GLN N N 125.818 0.1 1 781 129 129 GLN NE2 N 112.108 0.010 1 stop_ save_