data_25402 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the full length sorting nexin 3 ; _BMRB_accession_number 25402 _BMRB_flat_file_name bmr25402.str _Entry_type original _Submission_date 2014-12-20 _Accession_date 2014-12-20 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'The solution structure of SNX3' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lenoir Marc M.L. . 2 Rajesh Sandya S.R. . 3 Gruenberg Jean J.G. . 4 Overduin Michael M.O. . 5 Kaur Jaswant J.K. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1001 "13C chemical shifts" 729 "15N chemical shifts" 165 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-09-09 update BMRB 'update entry citation' 2015-08-13 original author 'original release' stop_ _Original_release_date 2015-08-13 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Secondary structure and 1H, 13C, 15N resonance assignments of the endosomal sorting protein sorting nexin 3 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25893673 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Overduin Michael . . 2 Rajesh Sandya . . 3 Gruenberg Jean . . 4 Lenoir Marc . . stop_ _Journal_abbreviation 'Biomol. NMR Assign.' _Journal_volume 9 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 355 _Page_last 358 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name SNX3FL _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SNX3FL $SNX3FL stop_ _System_molecular_weight 19924.6031 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SNX3FL _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SNX3FL _Molecular_mass 19924.6031 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 172 _Mol_residue_sequence ; MAHHHHHHVGTAETVADTRR LITKPQNLNDAYGPPSNFLE IDVSNPQTVGVGRGRFTTYE IRVKTNLPIFKLKESTVRRR YSDFEWLRSELERESKVVVP PLPGKAFLRQLPFRGDDGIF DDNFIEERKQGLEQFINKVA GHPLAQNERCLHMFLQDEII DKSYTPSKIRHA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -9 MET 2 -8 ALA 3 -7 HIS 4 -6 HIS 5 -5 HIS 6 -4 HIS 7 -3 HIS 8 -2 HIS 9 -1 VAL 10 0 GLY 11 1 THR 12 2 ALA 13 3 GLU 14 4 THR 15 5 VAL 16 6 ALA 17 7 ASP 18 8 THR 19 9 ARG 20 10 ARG 21 11 LEU 22 12 ILE 23 13 THR 24 14 LYS 25 15 PRO 26 16 GLN 27 17 ASN 28 18 LEU 29 19 ASN 30 20 ASP 31 21 ALA 32 22 TYR 33 23 GLY 34 24 PRO 35 25 PRO 36 26 SER 37 27 ASN 38 28 PHE 39 29 LEU 40 30 GLU 41 31 ILE 42 32 ASP 43 33 VAL 44 34 SER 45 35 ASN 46 36 PRO 47 37 GLN 48 38 THR 49 39 VAL 50 40 GLY 51 41 VAL 52 42 GLY 53 43 ARG 54 44 GLY 55 45 ARG 56 46 PHE 57 47 THR 58 48 THR 59 49 TYR 60 50 GLU 61 51 ILE 62 52 ARG 63 53 VAL 64 54 LYS 65 55 THR 66 56 ASN 67 57 LEU 68 58 PRO 69 59 ILE 70 60 PHE 71 61 LYS 72 62 LEU 73 63 LYS 74 64 GLU 75 65 SER 76 66 THR 77 67 VAL 78 68 ARG 79 69 ARG 80 70 ARG 81 71 TYR 82 72 SER 83 73 ASP 84 74 PHE 85 75 GLU 86 76 TRP 87 77 LEU 88 78 ARG 89 79 SER 90 80 GLU 91 81 LEU 92 82 GLU 93 83 ARG 94 84 GLU 95 85 SER 96 86 LYS 97 87 VAL 98 88 VAL 99 89 VAL 100 90 PRO 101 91 PRO 102 92 LEU 103 93 PRO 104 94 GLY 105 95 LYS 106 96 ALA 107 97 PHE 108 98 LEU 109 99 ARG 110 100 GLN 111 101 LEU 112 102 PRO 113 103 PHE 114 104 ARG 115 105 GLY 116 106 ASP 117 107 ASP 118 108 GLY 119 109 ILE 120 110 PHE 121 111 ASP 122 112 ASP 123 113 ASN 124 114 PHE 125 115 ILE 126 116 GLU 127 117 GLU 128 118 ARG 129 119 LYS 130 120 GLN 131 121 GLY 132 122 LEU 133 123 GLU 134 124 GLN 135 125 PHE 136 126 ILE 137 127 ASN 138 128 LYS 139 129 VAL 140 130 ALA 141 131 GLY 142 132 HIS 143 133 PRO 144 134 LEU 145 135 ALA 146 136 GLN 147 137 ASN 148 138 GLU 149 139 ARG 150 140 CYS 151 141 LEU 152 142 HIS 153 143 MET 154 144 PHE 155 145 LEU 156 146 GLN 157 147 ASP 158 148 GLU 159 149 ILE 160 150 ILE 161 151 ASP 162 152 LYS 163 153 SER 164 154 TYR 165 155 THR 166 156 PRO 167 157 SER 168 158 LYS 169 159 ILE 170 160 ARG 171 161 HIS 172 162 ALA 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 $SNX3FL Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $SNX3FL 'recombinant technology' 'Escherichia coli' Escherichia coli 'BL21 DE3' PET28 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Assignments _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SNX3FL 0.5 mM '[U-100% 13C; U-100% 15N]' NaCl 100 mM 'natural abundance' 'Sodium phosphate' 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.2 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task 'chemical shift calculation' 'data analysis' 'structure solution' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityInova _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC/HMQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC/HMQC' _Sample_label $Assignments save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $Assignments save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $Assignments save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $Assignments save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $Assignments save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $Assignments save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $Assignments save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $Assignments save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $Assignments save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $Assignments save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $Assignments save_ save_2D_1H-13C_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $Assignments save_ ####################### # Sample conditions # ####################### save_CondSet1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.100 . M pH 6.5 . pH pressure 1.000 . 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 HDO C 13 H ppm 4.763 internal indirect . . . 0.251449530 HDO H 1 H ppm 4.763 internal indirect . . . 1.0 HDO N 15 H ppm 4.763 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CcpNmr_Analysis stop_ loop_ _Experiment_label '2D 1H-15N HSQC/HMQC' '3D HNCA' '3D HN(CO)CA' '3D HNCO' '3D CBCA(CO)NH' '3D HNCACB' '3D HN(CA)CO' '3D HCCH-TOCSY' '3D 1H-13C NOESY' '3D 1H-15N NOESY' '2D 1H-13C HSQC' stop_ loop_ _Sample_label $Assignments stop_ _Sample_conditions_label $CondSet1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name SNX3FL _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 9 VAL HA H 4.071 0.004 1 2 -1 9 VAL HB H 2.036 0.013 1 3 -1 9 VAL HG1 H 0.892 0.015 1 4 -1 9 VAL HG2 H 0.893 0.015 1 5 -1 9 VAL CA C 62.419 0.03 1 6 -1 9 VAL CB C 32.707 0.025 1 7 -1 9 VAL CG1 C 20.360 0.068 1 8 -1 9 VAL CG2 C 20.360 0.068 1 9 0 10 GLY H H 8.471 0.008 1 10 0 10 GLY HA2 H 4.002 0.003 1 11 0 10 GLY HA3 H 4.002 0.003 1 12 0 10 GLY CA C 45.172 0.023 1 13 0 10 GLY N N 112.649 0.08 1 14 1 11 THR H H 8.066 0.006 1 15 1 11 THR HA H 4.330 0.007 1 16 1 11 THR HB H 4.229 0.003 1 17 1 11 THR HG2 H 1.178 0.008 1 18 1 11 THR C C 174.688 0.015 1 19 1 11 THR CA C 61.829 0.026 1 20 1 11 THR CB C 69.950 . 1 21 1 11 THR CG2 C 21.734 0.019 1 22 1 11 THR N N 113.881 0.088 1 23 2 12 ALA H H 8.414 0.004 1 24 2 12 ALA HA H 4.306 0.002 1 25 2 12 ALA HB H 1.372 0.007 1 26 2 12 ALA C C 177.953 0.009 1 27 2 12 ALA CA C 52.730 0.03 1 28 2 12 ALA CB C 19.203 0.019 1 29 2 12 ALA N N 126.261 0.02 1 30 3 13 GLU H H 8.398 0.006 1 31 3 13 GLU HA H 4.282 0.008 1 32 3 13 GLU HB2 H 2.029 0.013 2 33 3 13 GLU HB3 H 1.925 0.007 2 34 3 13 GLU HG2 H 2.235 0.007 1 35 3 13 GLU HG3 H 2.235 0.007 1 36 3 13 GLU C C 176.963 0.003 1 37 3 13 GLU CA C 56.750 0.039 1 38 3 13 GLU CB C 30.347 0.041 1 39 3 13 GLU CG C 36.382 0.016 1 40 3 13 GLU N N 120.140 0.058 1 41 4 14 THR H H 8.199 0.015 1 42 4 14 THR HA H 4.327 0.011 1 43 4 14 THR HB H 4.192 0.008 1 44 4 14 THR HG2 H 1.175 0.003 1 45 4 14 THR C C 174.863 0.012 1 46 4 14 THR CA C 61.946 0.029 1 47 4 14 THR CB C 69.896 0.027 1 48 4 14 THR CG2 C 21.618 0.03 1 49 4 14 THR N N 115.574 0.03 1 50 5 15 VAL H H 8.165 0.003 1 51 5 15 VAL HA H 4.072 0.009 1 52 5 15 VAL HB H 2.050 0.014 1 53 5 15 VAL HG1 H 0.918 0.002 1 54 5 15 VAL HG2 H 0.918 0.002 1 55 5 15 VAL C C 176.195 0.007 1 56 5 15 VAL CA C 62.485 0.034 1 57 5 15 VAL CB C 32.668 0.019 1 58 5 15 VAL CG1 C 20.642 0.029 1 59 5 15 VAL CG2 C 20.642 0.029 1 60 5 15 VAL N N 122.726 0.053 1 61 6 16 ALA H H 8.334 0.003 1 62 6 16 ALA HA H 4.264 0.006 1 63 6 16 ALA HB H 1.357 0.003 1 64 6 16 ALA C C 177.765 0.005 1 65 6 16 ALA CA C 52.765 0.045 1 66 6 16 ALA CB C 19.241 0.043 1 67 6 16 ALA N N 127.330 0.087 1 68 7 17 ASP H H 8.244 0.004 1 69 7 17 ASP HA H 4.618 0.008 1 70 7 17 ASP HB2 H 2.744 0.007 2 71 7 17 ASP HB3 H 2.654 0.004 2 72 7 17 ASP C C 177.261 0.008 1 73 7 17 ASP CA C 54.434 0.022 1 74 7 17 ASP CB C 41.204 0.018 1 75 7 17 ASP N N 119.953 0.056 1 76 8 18 THR H H 8.145 0.007 1 77 8 18 THR HA H 4.217 0.003 1 78 8 18 THR HB H 4.314 0.01 1 79 8 18 THR HG2 H 1.205 0.01 1 80 8 18 THR C C 175.501 . 1 81 8 18 THR CA C 62.593 0.055 1 82 8 18 THR CB C 69.326 0.021 1 83 8 18 THR CG2 C 21.743 0.038 1 84 8 18 THR N N 114.882 0.033 1 85 9 19 ARG H H 8.236 0.005 1 86 9 19 ARG HA H 4.240 0.009 1 87 9 19 ARG HB2 H 1.825 0.005 1 88 9 19 ARG HB3 H 1.825 0.005 1 89 9 19 ARG HG2 H 1.644 0.021 1 90 9 19 ARG HG3 H 1.644 0.021 1 91 9 19 ARG HD2 H 3.174 0.009 1 92 9 19 ARG HD3 H 3.174 0.009 1 93 9 19 ARG C C 176.796 0.008 1 94 9 19 ARG CA C 56.837 0.024 1 95 9 19 ARG CB C 30.475 0.074 1 96 9 19 ARG CG C 27.146 0.022 1 97 9 19 ARG CD C 43.385 0.05 1 98 9 19 ARG N N 122.457 0.068 1 99 10 20 ARG H H 8.086 0.005 1 100 10 20 ARG HA H 4.267 0.005 1 101 10 20 ARG HB2 H 1.820 0.008 2 102 10 20 ARG HB3 H 1.748 0.011 2 103 10 20 ARG HG2 H 1.608 0.013 1 104 10 20 ARG HG3 H 1.608 0.01 1 105 10 20 ARG HD2 H 3.171 0.011 1 106 10 20 ARG HD3 H 3.171 0.011 1 107 10 20 ARG C C 176.221 0.002 1 108 10 20 ARG CA C 56.163 0.051 1 109 10 20 ARG CB C 30.612 0.049 1 110 10 20 ARG CG C 27.189 0.029 1 111 10 20 ARG CD C 43.420 . 1 112 10 20 ARG N N 120.779 0.032 1 113 11 21 LEU H H 8.125 0.003 1 114 11 21 LEU HA H 4.344 0.01 1 115 11 21 LEU HB2 H 1.628 0.007 2 116 11 21 LEU HB3 H 1.589 0.031 2 117 11 21 LEU HG H 1.574 0.008 1 118 11 21 LEU HD1 H 0.843 0.011 2 119 11 21 LEU HD2 H 0.894 0.013 2 120 11 21 LEU C C 177.316 0.015 1 121 11 21 LEU CA C 55.081 0.057 1 122 11 21 LEU CB C 42.191 0.066 1 123 11 21 LEU CG C 27.067 0.057 1 124 11 21 LEU CD1 C 23.505 0.059 2 125 11 21 LEU CD2 C 25.060 0.101 2 126 11 21 LEU N N 122.988 0.056 1 127 12 22 ILE H H 8.125 0.004 1 128 12 22 ILE HA H 4.215 0.005 1 129 12 22 ILE HB H 1.868 0.005 1 130 12 22 ILE HG12 H 1.178 0.011 2 131 12 22 ILE HG13 H 1.454 0.005 2 132 12 22 ILE HG2 H 0.871 0.012 1 133 12 22 ILE HD1 H 0.841 0.013 1 134 12 22 ILE C C 176.570 . 1 135 12 22 ILE CA C 60.982 0.045 1 136 12 22 ILE CB C 38.596 0.029 1 137 12 22 ILE CG1 C 27.226 0.044 1 138 12 22 ILE CG2 C 17.570 0.066 1 139 12 22 ILE CD1 C 12.789 0.074 1 140 12 22 ILE N N 122.161 0.099 1 141 13 23 THR H H 8.160 0.013 1 142 13 23 THR HA H 4.326 0.008 1 143 13 23 THR HB H 4.153 0.03 1 144 13 23 THR HG2 H 1.169 0.01 1 145 13 23 THR C C 174.236 0.012 1 146 13 23 THR CA C 61.650 0.026 1 147 13 23 THR CB C 69.848 0.016 1 148 13 23 THR CG2 C 21.644 0.057 1 149 13 23 THR N N 118.751 0.038 1 150 14 24 LYS H H 8.264 0.005 1 151 14 24 LYS HA H 4.596 0.01 1 152 14 24 LYS HB2 H 1.700 0.007 2 153 14 24 LYS HB3 H 1.798 0.004 2 154 14 24 LYS HG2 H 1.439 0.01 1 155 14 24 LYS HG3 H 1.439 0.01 1 156 14 24 LYS HD2 H 1.677 0.012 1 157 14 24 LYS HD3 H 1.677 0.012 1 158 14 24 LYS HE2 H 2.968 0.003 2 159 14 24 LYS HE3 H 2.748 0.0 2 160 14 24 LYS C C 174.531 . 1 161 14 24 LYS CA C 54.208 0.024 1 162 14 24 LYS CB C 32.612 0.032 1 163 14 24 LYS CG C 24.578 0.034 1 164 14 24 LYS CD C 29.337 . 1 165 14 24 LYS CE C 42.171 0.031 1 166 14 24 LYS N N 125.084 0.009 1 167 15 25 PRO HA H 4.389 0.009 1 168 15 25 PRO HB2 H 1.892 0.01 2 169 15 25 PRO HB3 H 2.289 0.007 2 170 15 25 PRO HG2 H 2.023 0.02 2 171 15 25 PRO HG3 H 1.994 0.017 2 172 15 25 PRO HD2 H 3.623 0.008 2 173 15 25 PRO HD3 H 3.812 0.008 2 174 15 25 PRO C C 177.149 . 1 175 15 25 PRO CA C 63.228 0.08 1 176 15 25 PRO CB C 32.070 0.033 1 177 15 25 PRO CG C 27.489 0.155 1 178 15 25 PRO CD C 50.646 0.065 1 179 16 26 GLN H H 8.537 0.006 1 180 16 26 GLN HA H 4.255 0.004 1 181 16 26 GLN HB2 H 2.051 0.007 2 182 16 26 GLN HB3 H 1.939 0.022 2 183 16 26 GLN HG2 H 2.347 0.004 1 184 16 26 GLN HG3 H 2.347 0.006 1 185 16 26 GLN HE21 H 6.860 0.009 1 186 16 26 GLN HE22 H 7.544 0.005 1 187 16 26 GLN C C 175.871 0.003 1 188 16 26 GLN CA C 56.036 0.055 1 189 16 26 GLN CB C 29.678 0.058 1 190 16 26 GLN CG C 33.861 0.064 1 191 16 26 GLN CD C 180.714 0.035 1 192 16 26 GLN N N 120.623 0.048 1 193 16 26 GLN NE2 N 112.605 0.021 1 194 17 27 ASN H H 8.436 0.062 1 195 17 27 ASN HA H 4.697 0.011 1 196 17 27 ASN HB2 H 2.742 0.012 2 197 17 27 ASN HB3 H 2.843 0.014 2 198 17 27 ASN HD21 H 6.898 0.003 1 199 17 27 ASN HD22 H 7.613 0.007 1 200 17 27 ASN C C 175.384 0.004 1 201 17 27 ASN CA C 53.025 0.108 1 202 17 27 ASN CB C 38.792 0.069 1 203 17 27 ASN CG C 177.335 . 1 204 17 27 ASN N N 119.647 0.463 1 205 17 27 ASN ND2 N 112.883 0.025 1 206 18 28 LEU H H 8.290 0.007 1 207 18 28 LEU HA H 4.283 0.009 1 208 18 28 LEU HB2 H 1.599 0.011 1 209 18 28 LEU HB3 H 1.599 0.011 1 210 18 28 LEU HG H 1.576 0.01 1 211 18 28 LEU HD1 H 0.843 0.016 2 212 18 28 LEU HD2 H 0.885 0.016 2 213 18 28 LEU C C 177.486 0.001 1 214 18 28 LEU CA C 55.601 0.048 1 215 18 28 LEU CB C 42.190 0.01 1 216 18 28 LEU CG C 27.057 . 1 217 18 28 LEU CD1 C 23.516 0.066 2 218 18 28 LEU CD2 C 24.936 0.025 2 219 18 28 LEU N N 122.820 0.066 1 220 19 29 ASN H H 8.372 0.007 1 221 19 29 ASN HA H 4.636 0.009 1 222 19 29 ASN HB2 H 2.822 0.006 2 223 19 29 ASN HB3 H 2.721 0.006 2 224 19 29 ASN HD21 H 7.587 0.005 1 225 19 29 ASN HD22 H 6.893 0.004 1 226 19 29 ASN C C 175.279 0.012 1 227 19 29 ASN CA C 53.601 0.051 1 228 19 29 ASN CB C 38.850 0.021 1 229 19 29 ASN CG C 177.287 . 1 230 19 29 ASN N N 118.465 0.021 1 231 19 29 ASN ND2 N 112.942 0.028 1 232 20 30 ASP H H 8.125 0.006 1 233 20 30 ASP HA H 4.524 0.004 1 234 20 30 ASP HB2 H 2.624 0.003 1 235 20 30 ASP HB3 H 2.624 0.003 1 236 20 30 ASP C C 176.259 0.012 1 237 20 30 ASP CA C 54.544 0.083 1 238 20 30 ASP CB C 41.092 0.018 1 239 20 30 ASP N N 120.670 0.023 1 240 21 31 ALA H H 8.045 0.003 1 241 21 31 ALA HA H 4.192 0.001 1 242 21 31 ALA HB H 1.209 0.004 1 243 21 31 ALA C C 177.695 0.009 1 244 21 31 ALA CA C 52.777 0.007 1 245 21 31 ALA CB C 19.155 0.049 1 246 21 31 ALA N N 123.501 0.03 1 247 22 32 TYR H H 8.071 0.004 1 248 22 32 TYR HA H 4.566 0.006 1 249 22 32 TYR HB2 H 3.113 0.005 2 250 22 32 TYR HB3 H 2.917 0.005 2 251 22 32 TYR HD1 H 7.110 0.02 3 252 22 32 TYR HD2 H 7.110 0.02 3 253 22 32 TYR HE1 H 6.791 0.012 3 254 22 32 TYR HE2 H 6.791 0.012 3 255 22 32 TYR C C 176.212 0.002 1 256 22 32 TYR CA C 57.698 0.032 1 257 22 32 TYR CB C 38.809 0.031 1 258 22 32 TYR CD1 C 133.435 0.028 3 259 22 32 TYR CD2 C 133.435 0.028 3 260 22 32 TYR CE1 C 118.444 0.065 3 261 22 32 TYR CE2 C 118.444 0.065 3 262 22 32 TYR N N 118.518 0.005 1 263 23 33 GLY H H 7.951 0.005 1 264 23 33 GLY HA2 H 4.080 0.005 2 265 23 33 GLY HA3 H 3.972 0.007 2 266 23 33 GLY C C 171.126 . 1 267 23 33 GLY CA C 44.444 0.051 1 268 23 33 GLY N N 110.269 0.033 1 269 24 34 PRO HA H 4.676 0.008 1 270 24 34 PRO HB2 H 1.895 0.008 2 271 24 34 PRO HB3 H 2.283 0.006 2 272 24 34 PRO HG2 H 1.994 0.01 1 273 24 34 PRO HG3 H 1.996 0.009 1 274 24 34 PRO HD2 H 3.569 0.008 1 275 24 34 PRO HD3 H 3.567 0.003 1 276 24 34 PRO CA C 61.493 0.094 1 277 24 34 PRO CB C 30.895 0.075 1 278 24 34 PRO CG C 27.163 0.079 1 279 24 34 PRO CD C 49.736 0.017 1 280 25 35 PRO HA H 4.498 0.009 1 281 25 35 PRO HB2 H 2.314 0.008 2 282 25 35 PRO HB3 H 1.979 0.007 2 283 25 35 PRO HG2 H 2.046 0.011 1 284 25 35 PRO HG3 H 2.048 0.01 1 285 25 35 PRO HD2 H 3.809 0.007 2 286 25 35 PRO HD3 H 3.636 0.009 2 287 25 35 PRO C C 177.210 . 1 288 25 35 PRO CA C 63.117 0.093 1 289 25 35 PRO CB C 32.027 0.04 1 290 25 35 PRO CG C 27.481 0.152 1 291 25 35 PRO CD C 50.522 0.116 1 292 26 36 SER H H 8.336 0.004 1 293 26 36 SER HA H 4.429 0.016 1 294 26 36 SER HB2 H 3.877 0.005 2 295 26 36 SER HB3 H 3.877 0.004 2 296 26 36 SER C C 174.834 . 1 297 26 36 SER CA C 58.404 0.06 1 298 26 36 SER CB C 63.768 0.046 1 299 26 36 SER N N 115.685 0.081 1 300 27 37 ASN H H 8.450 0.007 1 301 27 37 ASN HA H 5.225 0.008 1 302 27 37 ASN HB2 H 2.613 0.021 2 303 27 37 ASN HB3 H 2.692 0.02 2 304 27 37 ASN HD21 H 6.965 0.005 1 305 27 37 ASN HD22 H 7.346 0.002 1 306 27 37 ASN C C 174.895 . 1 307 27 37 ASN CA C 52.941 0.077 1 308 27 37 ASN CB C 40.048 0.063 1 309 27 37 ASN CG C 176.719 0.004 1 310 27 37 ASN N N 121.478 0.053 1 311 27 37 ASN ND2 N 111.421 0.059 1 312 28 38 PHE H H 8.623 0.008 1 313 28 38 PHE HA H 4.989 0.007 1 314 28 38 PHE HB2 H 3.029 0.009 2 315 28 38 PHE HB3 H 2.919 0.008 2 316 28 38 PHE HD1 H 7.020 0.019 3 317 28 38 PHE HD2 H 7.020 0.019 3 318 28 38 PHE HE1 H 7.079 0.019 3 319 28 38 PHE HE2 H 7.079 0.019 3 320 28 38 PHE HZ H 7.158 0.02 1 321 28 38 PHE C C 173.417 0.026 1 322 28 38 PHE CA C 56.314 0.046 1 323 28 38 PHE CB C 42.283 0.052 1 324 28 38 PHE CD1 C 132.729 0.051 3 325 28 38 PHE CD2 C 132.729 0.051 3 326 28 38 PHE CE1 C 131.200 0.062 3 327 28 38 PHE CE2 C 131.200 0.062 3 328 28 38 PHE CZ C 129.681 0.112 1 329 28 38 PHE N N 119.041 0.045 1 330 29 39 LEU H H 8.706 0.009 1 331 29 39 LEU HA H 4.356 0.009 1 332 29 39 LEU HB2 H 1.303 0.008 2 333 29 39 LEU HB3 H 1.749 0.004 2 334 29 39 LEU HG H 1.301 0.008 1 335 29 39 LEU HD1 H 0.697 0.007 2 336 29 39 LEU HD2 H 0.359 0.006 2 337 29 39 LEU C C 173.235 0.018 1 338 29 39 LEU CA C 55.642 0.05 1 339 29 39 LEU CB C 43.287 0.051 1 340 29 39 LEU CG C 27.553 0.125 1 341 29 39 LEU CD1 C 26.304 0.018 2 342 29 39 LEU CD2 C 22.960 0.047 2 343 29 39 LEU N N 125.999 0.087 1 344 30 40 GLU H H 9.248 0.006 1 345 30 40 GLU HA H 4.707 0.006 1 346 30 40 GLU HB2 H 2.021 0.009 2 347 30 40 GLU HB3 H 2.026 0.01 2 348 30 40 GLU HG2 H 2.246 0.013 1 349 30 40 GLU HG3 H 2.246 0.013 1 350 30 40 GLU C C 175.022 . 1 351 30 40 GLU CA C 55.275 0.133 1 352 30 40 GLU CB C 32.423 0.039 1 353 30 40 GLU CG C 35.967 0.017 1 354 30 40 GLU N N 128.712 0.093 1 355 31 41 ILE H H 8.283 0.005 1 356 31 41 ILE HA H 5.249 0.01 1 357 31 41 ILE HB H 1.611 0.008 1 358 31 41 ILE HG12 H 1.394 0.006 2 359 31 41 ILE HG13 H 0.817 0.007 2 360 31 41 ILE HG2 H 0.687 0.008 1 361 31 41 ILE HD1 H 0.594 0.004 1 362 31 41 ILE C C 175.180 . 1 363 31 41 ILE CA C 59.903 0.053 1 364 31 41 ILE CB C 40.081 0.044 1 365 31 41 ILE CG1 C 27.339 0.035 1 366 31 41 ILE CG2 C 18.857 0.042 1 367 31 41 ILE CD1 C 15.455 0.044 1 368 31 41 ILE N N 123.842 0.09 1 369 32 42 ASP H H 9.113 0.014 1 370 32 42 ASP HA H 5.211 0.011 1 371 32 42 ASP HB2 H 2.601 0.006 1 372 32 42 ASP HB3 H 2.601 0.006 1 373 32 42 ASP C C 175.111 0.01 1 374 32 42 ASP CA C 52.432 0.073 1 375 32 42 ASP CB C 44.668 0.078 1 376 32 42 ASP N N 127.720 0.086 1 377 33 43 VAL H H 9.247 0.009 1 378 33 43 VAL HA H 5.217 0.01 1 379 33 43 VAL HB H 2.102 0.012 1 380 33 43 VAL HG1 H 0.943 0.01 2 381 33 43 VAL HG2 H 0.946 0.009 2 382 33 43 VAL C C 175.193 0.035 1 383 33 43 VAL CA C 61.288 0.109 1 384 33 43 VAL CB C 33.177 0.074 1 385 33 43 VAL CG1 C 22.414 0.04 2 386 33 43 VAL CG2 C 21.332 0.065 2 387 33 43 VAL N N 123.878 0.083 1 388 34 44 SER H H 9.417 0.009 1 389 34 44 SER HA H 4.952 0.01 1 390 34 44 SER HB2 H 3.858 0.011 2 391 34 44 SER HB3 H 3.803 0.012 2 392 34 44 SER C C 173.071 0.023 1 393 34 44 SER CA C 57.292 0.039 1 394 34 44 SER CB C 67.007 0.063 1 395 34 44 SER N N 119.727 0.046 1 396 35 45 ASN H H 8.967 0.005 1 397 35 45 ASN HA H 4.625 0.04 1 398 35 45 ASN HB2 H 2.952 0.008 2 399 35 45 ASN HB3 H 2.636 0.008 2 400 35 45 ASN HD21 H 6.775 0.005 1 401 35 45 ASN HD22 H 7.645 0.007 1 402 35 45 ASN C C 171.480 . 1 403 35 45 ASN CA C 53.548 0.069 1 404 35 45 ASN CB C 38.650 0.037 1 405 35 45 ASN CG C 177.972 0.012 1 406 35 45 ASN N N 114.921 0.072 1 407 35 45 ASN ND2 N 112.594 0.032 1 408 36 46 PRO HA H 4.989 0.007 1 409 36 46 PRO HB2 H 1.879 0.008 2 410 36 46 PRO HB3 H 1.677 0.011 2 411 36 46 PRO HG2 H 2.196 0.007 2 412 36 46 PRO HG3 H 1.883 0.004 2 413 36 46 PRO HD2 H 3.849 0.006 2 414 36 46 PRO HD3 H 3.582 0.011 2 415 36 46 PRO C C 177.815 . 1 416 36 46 PRO CA C 62.156 0.037 1 417 36 46 PRO CB C 31.740 0.005 1 418 36 46 PRO CG C 28.073 0.037 1 419 36 46 PRO CD C 50.781 0.026 1 420 37 47 GLN H H 8.684 0.009 1 421 37 47 GLN HA H 4.568 0.007 1 422 37 47 GLN HB2 H 1.690 0.012 2 423 37 47 GLN HB3 H 1.859 0.011 2 424 37 47 GLN HG2 H 2.144 0.01 2 425 37 47 GLN HG3 H 2.209 0.012 2 426 37 47 GLN HE21 H 6.688 0.002 1 427 37 47 GLN HE22 H 7.295 0.003 1 428 37 47 GLN C C 174.632 0.012 1 429 37 47 GLN CA C 54.629 0.065 1 430 37 47 GLN CB C 32.495 0.093 1 431 37 47 GLN CG C 33.472 0.053 1 432 37 47 GLN CD C 180.483 0.011 1 433 37 47 GLN N N 121.926 0.054 1 434 37 47 GLN NE2 N 111.132 0.028 1 435 38 48 THR H H 8.902 0.011 1 436 38 48 THR HA H 4.914 0.03 1 437 38 48 THR HB H 3.842 0.007 1 438 38 48 THR HG2 H 0.833 0.008 1 439 38 48 THR C C 173.834 0.025 1 440 38 48 THR CA C 62.298 0.067 1 441 38 48 THR CB C 69.273 0.026 1 442 38 48 THR CG2 C 22.582 0.056 1 443 38 48 THR N N 123.431 0.116 1 444 39 49 VAL H H 8.691 0.027 1 445 39 49 VAL HA H 4.159 0.008 1 446 39 49 VAL HB H 1.257 0.007 1 447 39 49 VAL HG1 H 0.384 0.008 2 448 39 49 VAL HG2 H 0.663 0.01 2 449 39 49 VAL C C 174.702 0.015 1 450 39 49 VAL CA C 60.455 0.057 1 451 39 49 VAL CB C 34.026 0.036 1 452 39 49 VAL CG1 C 19.846 0.052 2 453 39 49 VAL CG2 C 21.477 0.021 2 454 39 49 VAL N N 127.393 0.048 1 455 40 50 GLY H H 8.051 0.004 1 456 40 50 GLY HA2 H 4.236 0.01 2 457 40 50 GLY HA3 H 3.668 0.007 2 458 40 50 GLY C C 173.434 0.022 1 459 40 50 GLY CA C 43.791 0.059 1 460 40 50 GLY N N 108.219 0.053 1 461 41 51 VAL H H 8.064 0.003 1 462 41 51 VAL HA H 4.255 0.003 1 463 41 51 VAL HB H 1.898 0.004 1 464 41 51 VAL HG1 H 0.817 0.009 2 465 41 51 VAL HG2 H 0.830 0.007 2 466 41 51 VAL C C 176.492 0.02 1 467 41 51 VAL CA C 60.541 0.042 1 468 41 51 VAL CB C 35.557 0.015 1 469 41 51 VAL CG1 C 20.065 0.039 2 470 41 51 VAL CG2 C 21.074 0.026 2 471 41 51 VAL N N 114.219 0.051 1 472 42 52 GLY H H 8.917 0.006 1 473 42 52 GLY HA2 H 3.962 0.007 2 474 42 52 GLY HA3 H 3.712 0.007 2 475 42 52 GLY C C 176.768 . 1 476 42 52 GLY CA C 46.228 0.05 1 477 42 52 GLY N N 114.101 0.046 1 478 43 53 ARG HA H 4.258 0.01 1 479 43 53 ARG HB2 H 1.868 0.012 2 480 43 53 ARG HB3 H 1.980 0.009 2 481 43 53 ARG HG2 H 1.755 0.006 1 482 43 53 ARG HG3 H 1.759 0.005 1 483 43 53 ARG HD2 H 3.246 0.003 1 484 43 53 ARG HD3 H 3.247 0.002 1 485 43 53 ARG C C 177.386 . 1 486 43 53 ARG CA C 57.817 0.052 1 487 43 53 ARG CB C 29.628 0.048 1 488 43 53 ARG CG C 27.354 0.031 1 489 43 53 ARG CD C 43.232 0.012 1 490 44 54 GLY H H 8.411 0.007 1 491 44 54 GLY HA2 H 4.345 0.017 2 492 44 54 GLY HA3 H 3.811 0.005 2 493 44 54 GLY C C 174.302 . 1 494 44 54 GLY CA C 44.975 0.059 1 495 44 54 GLY N N 107.681 0.03 1 496 45 55 ARG H H 7.035 0.01 1 497 45 55 ARG HA H 4.820 0.014 1 498 45 55 ARG HB2 H 1.068 0.006 2 499 45 55 ARG HB3 H 1.210 0.017 2 500 45 55 ARG HG2 H 1.079 0.008 2 501 45 55 ARG HG3 H 0.990 0.017 2 502 45 55 ARG HD2 H 2.373 0.004 2 503 45 55 ARG HD3 H 2.736 0.009 2 504 45 55 ARG C C 176.385 . 1 505 45 55 ARG CA C 56.014 0.051 1 506 45 55 ARG CB C 32.102 0.05 1 507 45 55 ARG CG C 26.185 0.07 1 508 45 55 ARG CD C 43.653 0.03 1 509 45 55 ARG N N 121.111 0.049 1 510 46 56 PHE H H 8.450 0.015 1 511 46 56 PHE HA H 5.304 0.022 1 512 46 56 PHE HB2 H 3.123 0.077 2 513 46 56 PHE HB3 H 3.325 0.073 2 514 46 56 PHE HD1 H 7.107 0.022 3 515 46 56 PHE HD2 H 7.107 0.022 3 516 46 56 PHE HE1 H 7.187 0.026 3 517 46 56 PHE HE2 H 7.187 0.026 3 518 46 56 PHE HZ H 7.278 . 1 519 46 56 PHE C C 173.186 0.025 1 520 46 56 PHE CA C 56.593 0.043 1 521 46 56 PHE CB C 41.759 0.065 1 522 46 56 PHE CD1 C 132.706 0.052 3 523 46 56 PHE CD2 C 132.706 0.052 3 524 46 56 PHE N N 117.285 0.07 1 525 47 57 THR H H 8.820 0.05 1 526 47 57 THR HA H 5.365 0.025 1 527 47 57 THR HB H 3.796 0.009 1 528 47 57 THR HG2 H 0.806 0.009 1 529 47 57 THR C C 175.589 . 1 530 47 57 THR CA C 61.906 0.088 1 531 47 57 THR CB C 70.665 0.033 1 532 47 57 THR CG2 C 21.625 0.041 1 533 47 57 THR N N 118.556 0.173 1 534 48 58 THR H H 9.180 0.021 1 535 48 58 THR HA H 5.095 0.01 1 536 48 58 THR HB H 4.117 0.01 1 537 48 58 THR HG2 H 1.377 0.005 1 538 48 58 THR C C 172.395 0.033 1 539 48 58 THR CA C 59.464 0.084 1 540 48 58 THR CB C 72.327 0.037 1 541 48 58 THR CG2 C 22.152 0.027 1 542 48 58 THR N N 116.836 0.282 1 543 49 59 TYR H H 9.373 0.014 1 544 49 59 TYR HA H 4.380 0.009 1 545 49 59 TYR HB2 H 2.914 0.015 2 546 49 59 TYR HB3 H 2.693 0.006 2 547 49 59 TYR HD1 H 6.962 0.004 3 548 49 59 TYR HD2 H 6.962 0.004 3 549 49 59 TYR HE1 H 6.638 0.009 3 550 49 59 TYR HE2 H 6.638 0.009 3 551 49 59 TYR C C 174.921 0.009 1 552 49 59 TYR CA C 57.346 0.029 1 553 49 59 TYR CB C 41.863 0.018 1 554 49 59 TYR CD1 C 132.678 . 3 555 49 59 TYR CD2 C 132.678 . 3 556 49 59 TYR CE1 C 117.022 . 3 557 49 59 TYR CE2 C 117.022 . 3 558 49 59 TYR N N 118.434 0.067 1 559 50 60 GLU H H 8.979 0.007 1 560 50 60 GLU HA H 4.888 0.009 1 561 50 60 GLU HB2 H 2.011 0.005 2 562 50 60 GLU HB3 H 1.906 0.007 2 563 50 60 GLU HG2 H 2.004 0.01 2 564 50 60 GLU HG3 H 2.225 0.006 2 565 50 60 GLU C C 175.784 0.0 1 566 50 60 GLU CA C 56.085 . 1 567 50 60 GLU CB C 31.465 0.06 1 568 50 60 GLU CG C 37.617 0.053 1 569 50 60 GLU N N 123.497 0.051 1 570 51 61 ILE H H 9.514 0.007 1 571 51 61 ILE HA H 5.097 0.012 1 572 51 61 ILE HB H 1.931 0.008 1 573 51 61 ILE HG12 H 1.402 0.023 2 574 51 61 ILE HG13 H 1.340 0.028 2 575 51 61 ILE HG2 H 0.720 0.011 1 576 51 61 ILE HD1 H 0.865 0.006 1 577 51 61 ILE C C 175.878 0.006 1 578 51 61 ILE CA C 59.640 0.042 1 579 51 61 ILE CB C 37.611 0.036 1 580 51 61 ILE CG1 C 28.004 0.048 1 581 51 61 ILE CG2 C 18.199 0.071 1 582 51 61 ILE CD1 C 15.372 0.062 1 583 51 61 ILE N N 127.261 0.036 1 584 52 62 ARG H H 9.185 0.009 1 585 52 62 ARG HA H 5.556 0.01 1 586 52 62 ARG HB2 H 1.976 0.01 2 587 52 62 ARG HB3 H 1.838 0.012 2 588 52 62 ARG HG2 H 1.639 0.005 2 589 52 62 ARG HG3 H 1.757 0.006 2 590 52 62 ARG HD2 H 3.179 0.01 1 591 52 62 ARG HD3 H 3.179 0.01 1 592 52 62 ARG C C 175.101 0.003 1 593 52 62 ARG CA C 54.533 0.08 1 594 52 62 ARG CB C 33.034 0.052 1 595 52 62 ARG CG C 27.493 0.067 1 596 52 62 ARG CD C 43.597 0.071 1 597 52 62 ARG N N 131.012 0.045 1 598 53 63 VAL H H 8.495 0.005 1 599 53 63 VAL HA H 4.685 0.008 1 600 53 63 VAL HB H 2.088 0.01 1 601 53 63 VAL HG1 H 0.304 0.008 2 602 53 63 VAL HG2 H 0.831 0.012 2 603 53 63 VAL C C 175.825 0.009 1 604 53 63 VAL CA C 60.957 0.12 1 605 53 63 VAL CB C 33.783 0.018 1 606 53 63 VAL CG1 C 20.764 0.064 2 607 53 63 VAL CG2 C 23.593 0.074 2 608 53 63 VAL N N 124.922 0.023 1 609 54 64 LYS H H 8.649 0.007 1 610 54 64 LYS HA H 5.197 0.01 1 611 54 64 LYS HB2 H 1.952 0.064 2 612 54 64 LYS HB3 H 1.855 0.061 2 613 54 64 LYS HG2 H 1.536 0.013 2 614 54 64 LYS HG3 H 1.519 0.015 2 615 54 64 LYS HD2 H 1.709 0.008 1 616 54 64 LYS HD3 H 1.709 0.009 1 617 54 64 LYS HE2 H 2.899 0.005 1 618 54 64 LYS HE3 H 2.899 0.005 1 619 54 64 LYS C C 175.056 0.011 1 620 54 64 LYS CA C 55.784 0.049 1 621 54 64 LYS CB C 35.734 0.04 1 622 54 64 LYS CG C 25.347 0.055 1 623 54 64 LYS CD C 29.437 0.064 1 624 54 64 LYS CE C 41.936 0.105 1 625 54 64 LYS N N 126.254 0.08 1 626 55 65 THR H H 9.215 0.006 1 627 55 65 THR HA H 4.349 0.013 1 628 55 65 THR HB H 3.734 0.007 1 629 55 65 THR HG2 H 0.716 0.01 1 630 55 65 THR C C 171.250 0.039 1 631 55 65 THR CA C 59.654 0.052 1 632 55 65 THR CB C 70.048 0.032 1 633 55 65 THR CG2 C 17.587 0.03 1 634 55 65 THR N N 118.539 0.064 1 635 56 66 ASN H H 6.920 0.01 1 636 56 66 ASN HA H 4.696 0.007 1 637 56 66 ASN HB2 H 3.216 0.005 2 638 56 66 ASN HB3 H 2.566 0.008 2 639 56 66 ASN HD21 H 7.212 0.006 1 640 56 66 ASN HD22 H 7.549 0.004 1 641 56 66 ASN C C 177.297 0.022 1 642 56 66 ASN CA C 51.154 0.074 1 643 56 66 ASN CB C 38.500 0.059 1 644 56 66 ASN CG C 177.342 . 1 645 56 66 ASN N N 119.809 0.036 1 646 56 66 ASN ND2 N 108.939 0.143 1 647 57 67 LEU H H 8.852 0.005 1 648 57 67 LEU HA H 4.432 0.008 1 649 57 67 LEU HB2 H 2.099 0.011 2 650 57 67 LEU HB3 H 1.576 0.016 2 651 57 67 LEU HG H 1.628 0.01 1 652 57 67 LEU HD1 H 0.987 0.008 2 653 57 67 LEU HD2 H 0.926 0.006 2 654 57 67 LEU C C 177.905 . 1 655 57 67 LEU CA C 53.935 0.089 1 656 57 67 LEU CB C 42.337 0.055 1 657 57 67 LEU CG C 27.611 0.058 1 658 57 67 LEU CD1 C 26.620 0.043 2 659 57 67 LEU CD2 C 23.676 0.041 2 660 57 67 LEU N N 126.319 0.061 1 661 58 68 PRO HA H 4.291 0.005 1 662 58 68 PRO HB2 H 1.922 0.003 2 663 58 68 PRO HB3 H 2.301 0.011 2 664 58 68 PRO HG2 H 2.027 0.008 1 665 58 68 PRO HG3 H 2.027 0.008 1 666 58 68 PRO HD2 H 4.060 0.006 2 667 58 68 PRO HD3 H 3.888 0.003 2 668 58 68 PRO C C 177.198 . 1 669 58 68 PRO CA C 64.409 0.051 1 670 58 68 PRO CB C 31.982 0.042 1 671 58 68 PRO CG C 27.331 0.026 1 672 58 68 PRO CD C 51.238 0.059 1 673 59 69 ILE H H 7.119 0.007 1 674 59 69 ILE HA H 3.924 0.005 1 675 59 69 ILE HB H 1.722 0.008 1 676 59 69 ILE HG12 H 1.177 0.004 2 677 59 69 ILE HG13 H 1.042 0.01 2 678 59 69 ILE HG2 H 0.593 0.006 1 679 59 69 ILE HD1 H 0.739 0.007 1 680 59 69 ILE C C 175.287 0.007 1 681 59 69 ILE CA C 61.646 0.044 1 682 59 69 ILE CB C 38.801 0.039 1 683 59 69 ILE CG1 C 28.936 0.042 1 684 59 69 ILE CG2 C 18.245 0.035 1 685 59 69 ILE CD1 C 14.655 0.027 1 686 59 69 ILE N N 112.571 0.03 1 687 60 70 PHE H H 7.046 0.007 1 688 60 70 PHE HA H 4.464 0.004 1 689 60 70 PHE HB2 H 3.119 0.011 2 690 60 70 PHE HB3 H 2.639 0.009 2 691 60 70 PHE HD1 H 6.059 0.007 3 692 60 70 PHE HD2 H 6.059 0.007 3 693 60 70 PHE HE1 H 7.108 0.013 3 694 60 70 PHE HE2 H 7.108 0.013 3 695 60 70 PHE HZ H 6.781 0.018 1 696 60 70 PHE C C 175.757 0.0 1 697 60 70 PHE CA C 58.567 0.069 1 698 60 70 PHE CB C 39.340 0.082 1 699 60 70 PHE CD1 C 137.237 0.079 3 700 60 70 PHE CD2 C 137.237 0.079 3 701 60 70 PHE CE1 C 132.502 0.076 3 702 60 70 PHE CE2 C 132.502 0.076 3 703 60 70 PHE CZ C 130.450 0.077 1 704 60 70 PHE N N 119.046 0.047 1 705 61 71 LYS H H 9.233 0.01 1 706 61 71 LYS HA H 3.961 0.005 1 707 61 71 LYS HB2 H 1.763 0.012 2 708 61 71 LYS HB3 H 1.917 0.008 2 709 61 71 LYS HG2 H 1.406 0.004 2 710 61 71 LYS HG3 H 1.509 0.007 2 711 61 71 LYS HD2 H 1.707 0.002 1 712 61 71 LYS HD3 H 1.707 0.002 1 713 61 71 LYS HE2 H 2.954 0.004 1 714 61 71 LYS HE3 H 2.954 0.004 1 715 61 71 LYS C C 177.266 0.015 1 716 61 71 LYS CA C 58.732 0.055 1 717 61 71 LYS CB C 32.902 0.03 1 718 61 71 LYS CG C 24.831 0.045 1 719 61 71 LYS CD C 29.156 0.018 1 720 61 71 LYS CE C 42.067 0.05 1 721 61 71 LYS N N 124.654 0.034 1 722 62 72 LEU H H 7.877 0.004 1 723 62 72 LEU HA H 4.798 0.01 1 724 62 72 LEU HB2 H 1.509 0.009 2 725 62 72 LEU HB3 H 1.561 0.022 2 726 62 72 LEU HG H 0.988 0.005 1 727 62 72 LEU HD1 H 0.997 0.004 1 728 62 72 LEU HD2 H 0.997 0.004 1 729 62 72 LEU C C 176.672 0.005 1 730 62 72 LEU CA C 52.895 0.049 1 731 62 72 LEU CB C 43.627 0.061 1 732 62 72 LEU CG C 25.842 0.049 1 733 62 72 LEU CD1 C 23.375 0.037 1 734 62 72 LEU CD2 C 23.375 0.037 1 735 62 72 LEU N N 117.150 0.047 1 736 63 73 LYS H H 8.568 0.004 1 737 63 73 LYS HA H 4.179 0.005 1 738 63 73 LYS HB2 H 1.801 0.009 2 739 63 73 LYS HB3 H 2.304 0.007 2 740 63 73 LYS HG2 H 1.601 0.005 2 741 63 73 LYS HG3 H 1.540 0.005 2 742 63 73 LYS HD2 H 1.590 0.007 1 743 63 73 LYS HD3 H 1.590 0.007 1 744 63 73 LYS HE2 H 2.940 0.004 1 745 63 73 LYS HE3 H 2.940 0.004 1 746 63 73 LYS C C 176.476 0.06 1 747 63 73 LYS CA C 56.563 0.052 1 748 63 73 LYS CB C 31.679 0.092 1 749 63 73 LYS CG C 25.225 0.042 1 750 63 73 LYS CD C 28.194 0.024 1 751 63 73 LYS CE C 42.655 0.031 1 752 63 73 LYS N N 121.098 0.029 1 753 64 74 GLU H H 7.100 0.004 1 754 64 74 GLU HA H 5.368 0.019 1 755 64 74 GLU HB2 H 1.973 0.019 2 756 64 74 GLU HB3 H 1.944 0.074 2 757 64 74 GLU HG2 H 2.298 0.009 1 758 64 74 GLU HG3 H 2.298 0.009 1 759 64 74 GLU C C 175.308 0.009 1 760 64 74 GLU CA C 54.713 0.04 1 761 64 74 GLU CB C 33.005 0.035 1 762 64 74 GLU CG C 36.682 0.027 1 763 64 74 GLU N N 114.447 0.029 1 764 65 75 SER H H 8.629 0.004 1 765 65 75 SER HA H 4.356 . 1 766 65 75 SER HB2 H 3.976 0.017 2 767 65 75 SER HB3 H 3.654 0.009 2 768 65 75 SER C C 173.539 0.028 1 769 65 75 SER CA C 57.704 0.043 1 770 65 75 SER CB C 66.567 0.073 1 771 65 75 SER N N 116.556 0.06 1 772 66 76 THR H H 8.358 0.009 1 773 66 76 THR HA H 5.216 0.004 1 774 66 76 THR HB H 3.926 0.005 1 775 66 76 THR HG2 H 1.092 0.005 1 776 66 76 THR C C 173.559 . 1 777 66 76 THR CA C 62.082 0.049 1 778 66 76 THR CB C 71.179 0.053 1 779 66 76 THR CG2 C 21.605 0.044 1 780 66 76 THR N N 115.896 0.114 1 781 67 77 VAL H H 8.348 0.003 1 782 67 77 VAL HA H 4.742 0.018 1 783 67 77 VAL HB H 1.989 0.004 1 784 67 77 VAL HG1 H 0.576 0.016 2 785 67 77 VAL HG2 H 0.632 0.01 2 786 67 77 VAL C C 174.511 0.009 1 787 67 77 VAL CA C 59.301 0.036 1 788 67 77 VAL CB C 36.624 0.011 1 789 67 77 VAL CG1 C 18.225 0.038 2 790 67 77 VAL CG2 C 21.617 0.042 2 791 67 77 VAL N N 118.688 0.044 1 792 68 78 ARG H H 8.585 0.006 1 793 68 78 ARG HA H 5.624 0.008 1 794 68 78 ARG HB3 H 1.539 0.01 1 795 68 78 ARG HG2 H 1.773 0.018 2 796 68 78 ARG HG3 H 1.416 0.007 2 797 68 78 ARG HD2 H 3.160 0.017 1 798 68 78 ARG HD3 H 3.160 0.017 1 799 68 78 ARG C C 177.827 0.029 1 800 68 78 ARG CA C 55.165 0.054 1 801 68 78 ARG CB C 33.014 0.044 1 802 68 78 ARG CG C 28.663 0.07 1 803 68 78 ARG CD C 43.606 0.069 1 804 68 78 ARG N N 119.347 0.071 1 805 69 79 ARG H H 9.180 0.014 1 806 69 79 ARG HA H 5.095 0.015 1 807 69 79 ARG HB2 H 1.953 . 2 808 69 79 ARG HB3 H 1.786 . 2 809 69 79 ARG HG2 H 1.395 . 1 810 69 79 ARG HG3 H 1.395 . 1 811 69 79 ARG C C 175.606 . 1 812 69 79 ARG CA C 52.659 0.1 1 813 69 79 ARG N N 121.079 0.069 1 814 70 80 ARG H H 9.629 0.007 1 815 70 80 ARG HA H 5.572 0.017 1 816 70 80 ARG C C 178.669 . 1 817 70 80 ARG CA C 54.286 0.021 1 818 70 80 ARG N N 120.815 0.082 1 819 71 81 TYR H H 10.195 0.006 1 820 71 81 TYR HA H 4.214 0.019 1 821 71 81 TYR HB2 H 3.185 0.023 1 822 71 81 TYR HB3 H 3.185 0.023 1 823 71 81 TYR HD1 H 6.823 0.016 3 824 71 81 TYR HD2 H 6.823 0.016 3 825 71 81 TYR HE1 H 6.500 0.019 3 826 71 81 TYR HE2 H 6.500 0.019 3 827 71 81 TYR C C 178.989 0.029 1 828 71 81 TYR CA C 64.520 0.058 1 829 71 81 TYR CB C 38.931 . 1 830 71 81 TYR CD1 C 132.942 0.047 3 831 71 81 TYR CD2 C 132.942 0.047 3 832 71 81 TYR CE1 C 117.897 0.049 3 833 71 81 TYR CE2 C 117.897 0.049 3 834 71 81 TYR N N 125.774 0.367 1 835 72 82 SER H H 9.089 0.006 1 836 72 82 SER HA H 4.744 0.016 1 837 72 82 SER HB2 H 4.168 0.009 1 838 72 82 SER HB3 H 4.168 0.009 1 839 72 82 SER C C 178.354 . 1 840 72 82 SER CA C 61.481 0.007 1 841 72 82 SER CB C 62.301 . 1 842 72 82 SER N N 113.634 0.061 1 843 73 83 ASP H H 8.019 0.042 1 844 73 83 ASP HA H 4.828 0.008 1 845 73 83 ASP HB2 H 2.729 0.004 2 846 73 83 ASP HB3 H 3.417 0.011 2 847 73 83 ASP C C 179.406 0.024 1 848 73 83 ASP CA C 58.077 0.009 1 849 73 83 ASP CB C 42.282 0.027 1 850 73 83 ASP N N 123.817 0.082 1 851 74 84 PHE H H 8.151 0.017 1 852 74 84 PHE HA H 3.914 0.003 1 853 74 84 PHE HB2 H 3.242 0.017 2 854 74 84 PHE HB3 H 2.317 0.029 2 855 74 84 PHE HD1 H 7.191 0.021 3 856 74 84 PHE HD2 H 7.191 0.021 3 857 74 84 PHE C C 177.961 0.006 1 858 74 84 PHE CA C 61.695 0.066 1 859 74 84 PHE CB C 37.910 0.038 1 860 74 84 PHE N N 120.103 0.118 1 861 75 85 GLU H H 7.466 0.031 1 862 75 85 GLU HA H 3.757 0.008 1 863 75 85 GLU HB2 H 2.248 0.01 2 864 75 85 GLU HB3 H 1.992 0.004 2 865 75 85 GLU HG2 H 1.996 0.005 2 866 75 85 GLU HG3 H 1.851 0.009 2 867 75 85 GLU C C 179.134 0.028 1 868 75 85 GLU CA C 59.811 0.029 1 869 75 85 GLU CB C 29.686 0.045 1 870 75 85 GLU CG C 37.599 0.05 1 871 75 85 GLU N N 118.613 0.046 1 872 76 86 TRP H H 8.025 0.01 1 873 76 86 TRP HA H 4.183 0.012 1 874 76 86 TRP HB2 H 3.834 0.008 2 875 76 86 TRP HB3 H 3.491 0.016 2 876 76 86 TRP HD1 H 7.446 0.01 1 877 76 86 TRP HE1 H 10.732 0.007 1 878 76 86 TRP HZ2 H 7.126 0.027 1 879 76 86 TRP HH2 H 6.717 0.012 1 880 76 86 TRP C C 177.146 . 1 881 76 86 TRP CA C 61.983 0.067 1 882 76 86 TRP CB C 27.581 0.098 1 883 76 86 TRP CD1 C 127.720 0.13 1 884 76 86 TRP CZ2 C 114.945 0.021 1 885 76 86 TRP CH2 C 128.223 0.03 1 886 76 86 TRP N N 121.748 0.041 1 887 76 86 TRP NE1 N 131.634 0.035 1 888 77 87 LEU H H 8.013 0.01 1 889 77 87 LEU HA H 3.154 0.007 1 890 77 87 LEU HB2 H 1.662 0.009 2 891 77 87 LEU HB3 H 1.196 0.011 2 892 77 87 LEU HG H 1.195 0.003 1 893 77 87 LEU HD1 H 0.004 0.006 2 894 77 87 LEU HD2 H 0.597 0.005 2 895 77 87 LEU C C 177.622 . 1 896 77 87 LEU CA C 57.762 0.039 1 897 77 87 LEU CB C 41.164 0.036 1 898 77 87 LEU CG C 26.746 0.05 1 899 77 87 LEU CD1 C 24.967 0.044 2 900 77 87 LEU CD2 C 23.075 0.05 2 901 77 87 LEU N N 119.662 0.118 1 902 78 88 ARG H H 8.209 0.016 1 903 78 88 ARG HA H 3.649 0.006 1 904 78 88 ARG HB2 H 1.680 0.005 2 905 78 88 ARG HB3 H 1.982 0.007 2 906 78 88 ARG HG2 H 1.534 0.005 2 907 78 88 ARG HG3 H 1.716 0.003 2 908 78 88 ARG HD2 H 2.974 0.011 2 909 78 88 ARG HD3 H 3.165 0.005 2 910 78 88 ARG C C 177.476 0.02 1 911 78 88 ARG CA C 60.732 0.038 1 912 78 88 ARG CB C 29.723 0.05 1 913 78 88 ARG CG C 28.070 0.05 1 914 78 88 ARG CD C 43.265 0.048 1 915 78 88 ARG N N 117.319 0.038 1 916 79 89 SER H H 7.907 0.007 1 917 79 89 SER HA H 4.189 0.01 1 918 79 89 SER HB2 H 3.924 0.006 1 919 79 89 SER HB3 H 3.924 0.006 1 920 79 89 SER C C 177.380 0.007 1 921 79 89 SER CA C 61.587 0.052 1 922 79 89 SER CB C 62.805 0.078 1 923 79 89 SER N N 112.890 0.046 1 924 80 90 GLU H H 8.102 0.006 1 925 80 90 GLU HA H 3.756 0.01 1 926 80 90 GLU HB2 H 1.693 0.007 2 927 80 90 GLU HB3 H 1.366 0.011 2 928 80 90 GLU HG2 H 1.102 0.007 2 929 80 90 GLU HG3 H 1.299 0.012 2 930 80 90 GLU C C 179.478 0.027 1 931 80 90 GLU CA C 58.670 0.037 1 932 80 90 GLU CB C 31.113 0.035 1 933 80 90 GLU CG C 35.444 0.052 1 934 80 90 GLU N N 121.788 0.05 1 935 81 91 LEU H H 8.257 0.014 1 936 81 91 LEU HA H 3.800 0.007 1 937 81 91 LEU HB2 H 1.009 0.007 2 938 81 91 LEU HB3 H 1.818 0.006 2 939 81 91 LEU HG H 1.702 0.006 1 940 81 91 LEU HD1 H 0.576 0.011 2 941 81 91 LEU HD2 H 0.633 0.012 2 942 81 91 LEU C C 179.956 0.033 1 943 81 91 LEU CA C 57.400 0.042 1 944 81 91 LEU CB C 42.327 0.07 1 945 81 91 LEU CG C 26.579 0.088 1 946 81 91 LEU CD1 C 27.080 0.069 2 947 81 91 LEU CD2 C 23.362 0.07 2 948 81 91 LEU N N 118.638 0.069 1 949 82 92 GLU H H 8.209 0.007 1 950 82 92 GLU HA H 4.095 0.005 1 951 82 92 GLU HB2 H 2.061 0.018 2 952 82 92 GLU HB3 H 2.004 0.016 2 953 82 92 GLU HG2 H 2.408 0.006 2 954 82 92 GLU HG3 H 2.171 0.009 2 955 82 92 GLU C C 178.251 0.018 1 956 82 92 GLU CA C 59.030 0.054 1 957 82 92 GLU CB C 30.082 0.075 1 958 82 92 GLU CG C 37.321 0.049 1 959 82 92 GLU N N 118.829 0.038 1 960 83 93 ARG H H 7.518 0.008 1 961 83 93 ARG HA H 4.049 0.005 1 962 83 93 ARG HB2 H 1.891 0.002 2 963 83 93 ARG HB3 H 1.784 0.011 2 964 83 93 ARG HG2 H 1.722 0.004 2 965 83 93 ARG HG3 H 1.493 0.006 2 966 83 93 ARG HD2 H 3.219 0.008 2 967 83 93 ARG HD3 H 3.225 0.019 2 968 83 93 ARG C C 178.406 0.007 1 969 83 93 ARG CA C 59.017 0.031 1 970 83 93 ARG CB C 30.917 0.018 1 971 83 93 ARG CG C 28.355 0.055 1 972 83 93 ARG CD C 43.088 0.032 1 973 83 93 ARG N N 117.745 0.033 1 974 84 94 GLU H H 8.013 0.01 1 975 84 94 GLU HA H 4.288 0.008 1 976 84 94 GLU HB2 H 1.756 0.01 2 977 84 94 GLU HB3 H 2.209 0.012 2 978 84 94 GLU HG2 H 2.222 0.006 2 979 84 94 GLU HG3 H 2.286 0.005 2 980 84 94 GLU C C 177.097 0.002 1 981 84 94 GLU CA C 56.727 0.052 1 982 84 94 GLU CB C 30.693 0.029 1 983 84 94 GLU CG C 35.941 0.044 1 984 84 94 GLU N N 114.642 0.065 1 985 85 95 SER H H 7.964 0.005 1 986 85 95 SER HA H 4.593 0.008 1 987 85 95 SER HB2 H 3.753 0.028 2 988 85 95 SER HB3 H 3.832 0.03 2 989 85 95 SER C C 174.547 . 1 990 85 95 SER CA C 58.540 0.076 1 991 85 95 SER CB C 65.555 0.05 1 992 85 95 SER N N 114.055 0.041 1 993 86 96 LYS H H 8.225 0.008 1 994 86 96 LYS HA H 4.265 0.004 1 995 86 96 LYS HB2 H 1.732 0.009 2 996 86 96 LYS HB3 H 1.944 0.009 2 997 86 96 LYS HG2 H 1.340 0.008 2 998 86 96 LYS HG3 H 1.412 0.002 2 999 86 96 LYS HD2 H 1.601 0.002 2 1000 86 96 LYS HD3 H 1.639 0.003 2 1001 86 96 LYS HE2 H 2.968 0.009 1 1002 86 96 LYS HE3 H 2.968 0.009 1 1003 86 96 LYS C C 176.544 . 1 1004 86 96 LYS CA C 56.140 0.028 1 1005 86 96 LYS CB C 31.268 0.062 1 1006 86 96 LYS CG C 24.909 0.039 1 1007 86 96 LYS CD C 28.676 0.054 1 1008 86 96 LYS CE C 42.274 0.011 1 1009 86 96 LYS N N 118.008 0.07 1 1010 87 97 VAL H H 7.605 0.011 1 1011 87 97 VAL HA H 3.701 0.011 1 1012 87 97 VAL HB H 1.673 0.006 1 1013 87 97 VAL HG1 H 0.451 0.003 1 1014 87 97 VAL HG2 H 0.458 0.006 1 1015 87 97 VAL C C 174.845 0.017 1 1016 87 97 VAL CA C 61.315 0.026 1 1017 87 97 VAL CB C 33.146 0.029 1 1018 87 97 VAL CG1 C 21.042 0.085 1 1019 87 97 VAL CG2 C 21.193 0.118 1 1020 87 97 VAL N N 118.511 0.069 1 1021 88 98 VAL H H 7.835 0.005 1 1022 88 98 VAL HA H 3.909 0.004 1 1023 88 98 VAL HB H 1.892 0.005 1 1024 88 98 VAL HG1 H 0.917 0.009 2 1025 88 98 VAL HG2 H 0.782 0.004 2 1026 88 98 VAL C C 176.002 0.01 1 1027 88 98 VAL CA C 62.619 0.036 1 1028 88 98 VAL CB C 31.028 0.076 1 1029 88 98 VAL CG1 C 21.101 0.036 2 1030 88 98 VAL CG2 C 21.008 0.028 2 1031 88 98 VAL N N 125.901 0.045 1 1032 89 99 VAL H H 8.593 0.005 1 1033 89 99 VAL HA H 4.257 0.007 1 1034 89 99 VAL HB H 1.996 0.006 1 1035 89 99 VAL HG1 H 0.849 0.008 2 1036 89 99 VAL HG2 H 1.024 0.005 2 1037 89 99 VAL C C 174.202 . 1 1038 89 99 VAL CA C 59.056 0.062 1 1039 89 99 VAL CB C 32.551 0.031 1 1040 89 99 VAL CG1 C 21.608 0.019 2 1041 89 99 VAL CG2 C 22.902 0.041 2 1042 89 99 VAL N N 128.399 0.05 1 1043 90 100 PRO HA H 4.746 . 1 1044 90 100 PRO HB2 H 2.462 0.003 2 1045 90 100 PRO HB3 H 2.038 0.012 2 1046 90 100 PRO HG2 H 1.839 0.015 2 1047 90 100 PRO HG3 H 1.863 0.01 2 1048 90 100 PRO HD2 H 3.788 0.008 2 1049 90 100 PRO HD3 H 3.237 0.007 2 1050 90 100 PRO CA C 61.876 . 1 1051 90 100 PRO CB C 30.646 0.056 1 1052 90 100 PRO CG C 27.128 0.081 1 1053 90 100 PRO CD C 50.762 0.047 1 1054 91 101 PRO HA H 4.380 0.005 1 1055 91 101 PRO HB2 H 1.824 0.005 2 1056 91 101 PRO HB3 H 2.237 0.005 2 1057 91 101 PRO HG2 H 2.004 0.006 1 1058 91 101 PRO HG3 H 2.004 0.006 1 1059 91 101 PRO HD2 H 3.744 0.018 2 1060 91 101 PRO HD3 H 3.618 0.002 2 1061 91 101 PRO C C 177.262 . 1 1062 91 101 PRO CA C 62.577 0.058 1 1063 91 101 PRO CB C 32.062 0.026 1 1064 91 101 PRO CG C 27.329 0.002 1 1065 91 101 PRO CD C 50.210 0.011 1 1066 92 102 LEU H H 8.269 0.005 1 1067 92 102 LEU HA H 4.061 0.008 1 1068 92 102 LEU HB2 H 1.344 0.007 2 1069 92 102 LEU HB3 H 1.265 0.019 2 1070 92 102 LEU HG H 1.057 0.011 1 1071 92 102 LEU HD1 H 0.226 0.009 2 1072 92 102 LEU HD2 H -0.216 0.01 2 1073 92 102 LEU C C 175.861 . 1 1074 92 102 LEU CA C 52.591 0.066 1 1075 92 102 LEU CB C 41.993 0.042 1 1076 92 102 LEU CG C 27.329 0.051 1 1077 92 102 LEU CD1 C 23.443 0.048 2 1078 92 102 LEU CD2 C 25.014 0.047 2 1079 92 102 LEU N N 121.834 0.087 1 1080 93 103 PRO HA H 4.448 0.013 1 1081 93 103 PRO HB2 H 2.049 0.011 2 1082 93 103 PRO HB3 H 2.264 0.011 2 1083 93 103 PRO HG2 H 1.900 0.007 1 1084 93 103 PRO HG3 H 1.900 0.007 1 1085 93 103 PRO HD2 H 3.246 0.006 2 1086 93 103 PRO HD3 H 3.419 0.008 2 1087 93 103 PRO C C 177.263 . 1 1088 93 103 PRO CA C 63.260 0.055 1 1089 93 103 PRO CB C 31.723 0.022 1 1090 93 103 PRO CG C 27.639 0.054 1 1091 93 103 PRO CD C 49.764 0.03 1 1092 94 104 GLY H H 8.285 0.008 1 1093 94 104 GLY HA2 H 3.561 0.006 2 1094 94 104 GLY HA3 H 3.660 0.008 2 1095 94 104 GLY C C 174.471 . 1 1096 94 104 GLY CA C 46.159 0.059 1 1097 94 104 GLY N N 109.079 0.115 1 1098 95 105 LYS HA H 4.109 0.004 1 1099 95 105 LYS HB2 H 1.664 0.01 2 1100 95 105 LYS HB3 H 1.742 0.007 2 1101 95 105 LYS HG2 H 1.364 0.005 2 1102 95 105 LYS HG3 H 1.282 0.003 2 1103 95 105 LYS HD2 H 1.643 0.001 1 1104 95 105 LYS HD3 H 1.643 0.001 1 1105 95 105 LYS HE2 H 2.939 0.002 1 1106 95 105 LYS HE3 H 2.939 0.002 1 1107 95 105 LYS C C 176.552 . 1 1108 95 105 LYS CA C 56.803 0.073 1 1109 95 105 LYS CB C 33.030 0.024 1 1110 95 105 LYS CG C 24.949 0.006 1 1111 95 105 LYS CD C 29.347 0.012 1 1112 95 105 LYS CE C 42.023 . 1 1113 96 106 ALA H H 8.158 0.005 1 1114 96 106 ALA HA H 4.148 0.008 1 1115 96 106 ALA HB H 1.235 0.008 1 1116 96 106 ALA C C 177.695 0.002 1 1117 96 106 ALA CA C 53.087 0.026 1 1118 96 106 ALA CB C 19.241 0.054 1 1119 96 106 ALA N N 123.447 0.032 1 1120 97 107 PHE H H 8.141 0.012 1 1121 97 107 PHE HA H 4.469 0.008 1 1122 97 107 PHE HB2 H 2.943 0.011 2 1123 97 107 PHE HB3 H 2.982 0.02 2 1124 97 107 PHE HD1 H 7.117 0.03 3 1125 97 107 PHE HD2 H 7.117 0.03 3 1126 97 107 PHE HE1 H 7.221 0.021 3 1127 97 107 PHE HE2 H 7.221 0.021 3 1128 97 107 PHE HZ H 6.998 0.009 1 1129 97 107 PHE C C 176.052 . 1 1130 97 107 PHE CA C 58.002 0.047 1 1131 97 107 PHE CB C 39.300 0.084 1 1132 97 107 PHE CD1 C 133.429 . 3 1133 97 107 PHE CD2 C 133.429 . 3 1134 97 107 PHE N N 118.708 0.032 1 1135 98 108 LEU H H 8.020 0.009 1 1136 98 108 LEU HA H 4.155 0.008 1 1137 98 108 LEU HB2 H 1.482 0.014 2 1138 98 108 LEU HB3 H 1.577 0.003 2 1139 98 108 LEU HG H 1.568 0.005 1 1140 98 108 LEU HD1 H 0.770 0.019 2 1141 98 108 LEU HD2 H 0.710 0.012 2 1142 98 108 LEU C C 177.647 . 1 1143 98 108 LEU CA C 55.768 0.051 1 1144 98 108 LEU CB C 42.062 0.019 1 1145 98 108 LEU CG C 27.171 0.007 1 1146 98 108 LEU CD1 C 25.005 0.043 2 1147 98 108 LEU CD2 C 23.470 0.04 2 1148 98 108 LEU N N 122.067 0.068 1 1149 99 109 ARG H H 7.997 0.006 1 1150 99 109 ARG HA H 4.206 0.008 1 1151 99 109 ARG HB2 H 1.831 0.008 2 1152 99 109 ARG HB3 H 1.749 0.018 2 1153 99 109 ARG HG2 H 1.587 0.011 2 1154 99 109 ARG HG3 H 1.605 0.017 2 1155 99 109 ARG HD2 H 3.134 0.008 1 1156 99 109 ARG HD3 H 3.134 0.008 1 1157 99 109 ARG C C 176.280 0.036 1 1158 99 109 ARG CA C 56.423 0.075 1 1159 99 109 ARG CB C 30.573 0.069 1 1160 99 109 ARG CG C 27.191 0.09 1 1161 99 109 ARG CD C 43.265 0.057 1 1162 99 109 ARG N N 119.821 0.07 1 1163 100 110 GLN H H 8.157 0.011 1 1164 100 110 GLN HA H 4.257 0.006 1 1165 100 110 GLN HB2 H 1.887 0.004 2 1166 100 110 GLN HB3 H 2.056 0.006 2 1167 100 110 GLN HG2 H 2.274 0.005 1 1168 100 110 GLN HG3 H 2.274 0.005 1 1169 100 110 GLN HE21 H 7.476 0.002 1 1170 100 110 GLN HE22 H 6.801 0.003 1 1171 100 110 GLN C C 175.727 . 1 1172 100 110 GLN CA C 55.869 0.077 1 1173 100 110 GLN CB C 29.263 0.036 1 1174 100 110 GLN CG C 33.918 0.078 1 1175 100 110 GLN N N 119.280 0.075 1 1176 100 110 GLN NE2 N 112.309 0.034 1 1177 101 111 LEU H H 7.938 0.016 1 1178 101 111 LEU HA H 4.557 0.006 1 1179 101 111 LEU HB2 H 1.575 0.003 2 1180 101 111 LEU HB3 H 1.449 0.006 2 1181 101 111 LEU HG H 1.574 0.006 1 1182 101 111 LEU HD1 H 0.866 0.025 2 1183 101 111 LEU HD2 H 0.889 0.011 2 1184 101 111 LEU CA C 53.116 0.051 1 1185 101 111 LEU CB C 42.004 0.049 1 1186 101 111 LEU CG C 27.007 0.085 1 1187 101 111 LEU CD1 C 23.353 0.097 2 1188 101 111 LEU CD2 C 25.559 0.048 2 1189 101 111 LEU N N 123.417 0.06 1 1190 102 112 PRO HA H 4.311 0.005 1 1191 102 112 PRO HB2 H 2.105 0.007 2 1192 102 112 PRO HB3 H 1.694 0.007 2 1193 102 112 PRO HG2 H 1.868 0.011 2 1194 102 112 PRO HG3 H 1.901 0.013 2 1195 102 112 PRO HD2 H 3.704 0.007 2 1196 102 112 PRO HD3 H 3.520 0.007 2 1197 102 112 PRO C C 176.794 . 1 1198 102 112 PRO CA C 63.491 0.036 1 1199 102 112 PRO CB C 31.615 0.019 1 1200 102 112 PRO CG C 27.332 0.034 1 1201 102 112 PRO CD C 50.431 0.027 1 1202 103 113 PHE H H 8.028 0.008 1 1203 103 113 PHE HA H 4.570 0.002 1 1204 103 113 PHE HB2 H 3.118 0.01 2 1205 103 113 PHE HB3 H 3.076 0.015 2 1206 103 113 PHE HD1 H 7.221 0.004 3 1207 103 113 PHE HD2 H 7.221 0.004 3 1208 103 113 PHE HE1 H 7.120 0.01 3 1209 103 113 PHE HE2 H 7.120 0.01 3 1210 103 113 PHE HZ H 7.332 0.013 1 1211 103 113 PHE C C 175.905 0.01 1 1212 103 113 PHE CA C 57.686 0.033 1 1213 103 113 PHE CB C 39.227 0.044 1 1214 103 113 PHE N N 118.684 0.051 1 1215 104 114 ARG H H 8.257 0.008 1 1216 104 114 ARG HA H 4.308 0.014 1 1217 104 114 ARG HB2 H 1.674 0.01 2 1218 104 114 ARG HB3 H 1.846 0.018 2 1219 104 114 ARG HG2 H 1.537 0.003 1 1220 104 114 ARG HG3 H 1.537 0.003 1 1221 104 114 ARG HD2 H 3.021 0.0 1 1222 104 114 ARG HD3 H 3.021 0.0 1 1223 104 114 ARG C C 176.646 0.009 1 1224 104 114 ARG CA C 55.796 0.049 1 1225 104 114 ARG CB C 30.890 0.074 1 1226 104 114 ARG CG C 26.997 . 1 1227 104 114 ARG CD C 43.289 0.006 1 1228 104 114 ARG N N 122.051 0.065 1 1229 105 115 GLY H H 7.926 0.005 1 1230 105 115 GLY HA2 H 3.941 0.008 2 1231 105 115 GLY HA3 H 3.865 0.006 2 1232 105 115 GLY C C 174.372 0.011 1 1233 105 115 GLY CA C 45.562 0.066 1 1234 105 115 GLY N N 109.150 0.056 1 1235 106 116 ASP H H 8.343 0.01 1 1236 106 116 ASP HA H 4.581 0.008 1 1237 106 116 ASP HB2 H 2.646 0.005 2 1238 106 116 ASP HB3 H 2.648 0.003 2 1239 106 116 ASP C C 176.535 0.015 1 1240 106 116 ASP CA C 54.819 0.039 1 1241 106 116 ASP CB C 41.271 0.099 1 1242 106 116 ASP N N 121.088 0.047 1 1243 107 117 ASP H H 8.365 0.02 1 1244 107 117 ASP HA H 4.588 0.005 1 1245 107 117 ASP HB2 H 2.717 0.019 2 1246 107 117 ASP HB3 H 2.686 0.036 2 1247 107 117 ASP C C 177.608 0.005 1 1248 107 117 ASP CA C 55.107 0.037 1 1249 107 117 ASP CB C 41.084 0.071 1 1250 107 117 ASP N N 119.283 0.109 1 1251 108 118 GLY H H 8.300 0.006 1 1252 108 118 GLY HA2 H 3.600 0.011 1 1253 108 118 GLY HA3 H 3.600 0.011 1 1254 108 118 GLY C C 174.805 0.006 1 1255 108 118 GLY CA C 46.414 0.056 1 1256 108 118 GLY N N 109.208 0.062 1 1257 109 119 ILE H H 7.179 0.01 1 1258 109 119 ILE HA H 3.364 0.008 1 1259 109 119 ILE HB H 1.397 0.008 1 1260 109 119 ILE HG12 H 0.433 0.014 2 1261 109 119 ILE HG13 H 0.732 0.02 2 1262 109 119 ILE HG2 H 0.335 0.007 1 1263 109 119 ILE HD1 H 0.574 0.004 1 1264 109 119 ILE C C 175.071 0.019 1 1265 109 119 ILE CA C 61.663 0.033 1 1266 109 119 ILE CB C 37.659 0.032 1 1267 109 119 ILE CG1 C 26.307 0.047 1 1268 109 119 ILE CG2 C 17.203 0.054 1 1269 109 119 ILE CD1 C 13.915 0.042 1 1270 109 119 ILE N N 116.421 0.034 1 1271 110 120 PHE H H 7.682 0.014 1 1272 110 120 PHE HA H 4.711 0.005 1 1273 110 120 PHE HB2 H 3.343 0.012 2 1274 110 120 PHE HB3 H 2.687 0.007 2 1275 110 120 PHE HD1 H 7.062 0.005 3 1276 110 120 PHE HD2 H 7.062 0.005 3 1277 110 120 PHE HE1 H 7.192 . 3 1278 110 120 PHE HE2 H 7.192 . 3 1279 110 120 PHE HZ H 6.969 . 1 1280 110 120 PHE C C 175.599 0.004 1 1281 110 120 PHE CA C 56.910 . 1 1282 110 120 PHE CB C 38.967 0.057 1 1283 110 120 PHE N N 118.312 0.121 1 1284 111 121 ASP H H 7.539 0.01 1 1285 111 121 ASP HA H 4.573 0.007 1 1286 111 121 ASP HB2 H 2.827 0.008 2 1287 111 121 ASP HB3 H 2.732 0.005 2 1288 111 121 ASP C C 176.880 0.005 1 1289 111 121 ASP CA C 54.440 0.05 1 1290 111 121 ASP CB C 43.013 0.068 1 1291 111 121 ASP N N 122.337 0.069 1 1292 112 122 ASP H H 8.772 0.009 1 1293 112 122 ASP HA H 4.349 0.007 1 1294 112 122 ASP HB2 H 2.726 0.003 2 1295 112 122 ASP HB3 H 2.621 0.004 2 1296 112 122 ASP C C 178.620 0.026 1 1297 112 122 ASP CA C 57.774 0.068 1 1298 112 122 ASP CB C 40.812 0.07 1 1299 112 122 ASP N N 124.119 0.1 1 1300 113 123 ASN H H 8.680 0.004 1 1301 113 123 ASN HA H 4.529 0.009 1 1302 113 123 ASN HB2 H 2.811 0.042 2 1303 113 123 ASN HB3 H 2.918 0.047 2 1304 113 123 ASN HD21 H 7.005 0.005 1 1305 113 123 ASN HD22 H 7.870 0.009 1 1306 113 123 ASN C C 177.396 0.0 1 1307 113 123 ASN CA C 56.184 0.073 1 1308 113 123 ASN CB C 37.990 0.074 1 1309 113 123 ASN CG C 176.871 0.025 1 1310 113 123 ASN N N 118.135 0.053 1 1311 113 123 ASN ND2 N 114.111 0.042 1 1312 114 124 PHE H H 7.975 0.007 1 1313 114 124 PHE HA H 4.155 0.012 1 1314 114 124 PHE HB2 H 3.220 0.013 2 1315 114 124 PHE HB3 H 3.101 0.018 2 1316 114 124 PHE HD1 H 6.987 0.009 3 1317 114 124 PHE HD2 H 6.987 0.009 3 1318 114 124 PHE HE1 H 7.081 0.017 3 1319 114 124 PHE HE2 H 7.081 0.017 3 1320 114 124 PHE C C 177.663 0.0 1 1321 114 124 PHE CA C 61.205 0.077 1 1322 114 124 PHE CB C 39.404 0.099 1 1323 114 124 PHE CE1 C 132.473 0.132 3 1324 114 124 PHE CE2 C 132.473 0.132 3 1325 114 124 PHE N N 122.817 0.061 1 1326 115 125 ILE H H 8.321 0.009 1 1327 115 125 ILE HA H 3.583 0.005 1 1328 115 125 ILE HB H 1.909 0.01 1 1329 115 125 ILE HG12 H 1.851 0.007 2 1330 115 125 ILE HG13 H 1.241 0.011 2 1331 115 125 ILE HG2 H 1.033 0.006 1 1332 115 125 ILE HD1 H 0.914 0.008 1 1333 115 125 ILE C C 177.863 0.005 1 1334 115 125 ILE CA C 64.963 0.081 1 1335 115 125 ILE CB C 37.841 0.083 1 1336 115 125 ILE CG1 C 29.813 0.038 1 1337 115 125 ILE CG2 C 17.763 0.044 1 1338 115 125 ILE CD1 C 13.657 0.046 1 1339 115 125 ILE N N 120.556 0.063 1 1340 116 126 GLU H H 8.032 0.011 1 1341 116 126 GLU HA H 4.134 0.007 1 1342 116 126 GLU HB2 H 2.172 0.01 2 1343 116 126 GLU HB3 H 2.067 0.01 2 1344 116 126 GLU HG2 H 2.429 0.006 2 1345 116 126 GLU HG3 H 2.230 0.005 2 1346 116 126 GLU C C 178.607 0.024 1 1347 116 126 GLU CA C 59.280 0.068 1 1348 116 126 GLU CB C 29.178 0.046 1 1349 116 126 GLU CG C 35.347 0.06 1 1350 116 126 GLU N N 120.846 0.067 1 1351 117 127 GLU H H 7.767 0.024 1 1352 117 127 GLU HA H 3.947 0.011 1 1353 117 127 GLU HB2 H 1.873 0.011 2 1354 117 127 GLU HB3 H 1.908 0.006 2 1355 117 127 GLU HG2 H 2.204 0.014 2 1356 117 127 GLU HG3 H 2.060 0.007 2 1357 117 127 GLU C C 180.230 . 1 1358 117 127 GLU CA C 59.366 0.076 1 1359 117 127 GLU CB C 29.291 0.053 1 1360 117 127 GLU CG C 36.275 0.037 1 1361 117 127 GLU N N 119.627 0.082 1 1362 118 128 ARG H H 8.369 0.008 1 1363 118 128 ARG HA H 3.666 0.011 1 1364 118 128 ARG HB2 H 1.739 0.009 2 1365 118 128 ARG HB3 H 1.460 0.014 2 1366 118 128 ARG HG2 H 1.149 0.014 2 1367 118 128 ARG HG3 H 1.355 0.006 2 1368 118 128 ARG C C 177.465 0.014 1 1369 118 128 ARG CA C 59.762 0.05 1 1370 118 128 ARG CB C 30.379 0.053 1 1371 118 128 ARG CG C 26.715 0.047 1 1372 118 128 ARG N N 122.476 0.08 1 1373 119 129 LYS H H 8.932 0.032 1 1374 119 129 LYS HA H 3.382 0.007 1 1375 119 129 LYS HB2 H 2.224 0.008 2 1376 119 129 LYS HB3 H 2.001 0.014 2 1377 119 129 LYS HG2 H 1.474 0.005 2 1378 119 129 LYS HG3 H 1.387 0.012 2 1379 119 129 LYS HD2 H 1.889 0.012 2 1380 119 129 LYS HD3 H 1.665 0.005 2 1381 119 129 LYS HE2 H 3.121 0.007 1 1382 119 129 LYS HE3 H 3.121 0.007 1 1383 119 129 LYS C C 177.896 . 1 1384 119 129 LYS CA C 60.211 0.049 1 1385 119 129 LYS CB C 32.289 0.093 1 1386 119 129 LYS CG C 23.612 0.033 1 1387 119 129 LYS CD C 29.603 0.062 1 1388 119 129 LYS CE C 41.307 0.041 1 1389 119 129 LYS N N 120.951 0.05 1 1390 120 130 GLN H H 7.784 0.02 1 1391 120 130 GLN HA H 4.136 0.008 1 1392 120 130 GLN HB2 H 2.154 0.01 1 1393 120 130 GLN HB3 H 2.154 0.01 1 1394 120 130 GLN HG2 H 2.649 0.004 2 1395 120 130 GLN HG3 H 2.466 0.006 2 1396 120 130 GLN HE21 H 7.869 0.002 1 1397 120 130 GLN HE22 H 6.845 0.021 1 1398 120 130 GLN C C 179.876 . 1 1399 120 130 GLN CA C 58.825 0.083 1 1400 120 130 GLN CB C 28.383 0.058 1 1401 120 130 GLN CG C 33.866 0.108 1 1402 120 130 GLN CD C 180.394 0.002 1 1403 120 130 GLN N N 116.685 0.057 1 1404 120 130 GLN NE2 N 112.159 0.018 1 1405 121 131 GLY H H 8.119 0.01 1 1406 121 131 GLY HA2 H 3.953 0.008 2 1407 121 131 GLY HA3 H 3.722 0.007 2 1408 121 131 GLY C C 177.651 0.0 1 1409 121 131 GLY CA C 47.214 0.063 1 1410 121 131 GLY N N 107.876 0.056 1 1411 122 132 LEU H H 8.964 0.025 1 1412 122 132 LEU HA H 3.749 0.011 1 1413 122 132 LEU HB2 H 0.698 0.01 2 1414 122 132 LEU HB3 H 1.598 0.011 2 1415 122 132 LEU HG H 1.495 0.01 1 1416 122 132 LEU HD1 H -0.328 0.009 2 1417 122 132 LEU HD2 H -0.398 0.008 2 1418 122 132 LEU C C 178.906 . 1 1419 122 132 LEU CA C 57.512 0.05 1 1420 122 132 LEU CB C 40.085 0.052 1 1421 122 132 LEU CG C 24.868 0.021 1 1422 122 132 LEU CD1 C 23.681 0.058 2 1423 122 132 LEU CD2 C 19.901 0.051 2 1424 122 132 LEU N N 124.155 0.059 1 1425 123 133 GLU H H 8.281 0.01 1 1426 123 133 GLU HA H 3.975 0.005 1 1427 123 133 GLU HB2 H 2.273 0.005 2 1428 123 133 GLU HB3 H 2.194 0.005 2 1429 123 133 GLU HG2 H 2.249 0.006 2 1430 123 133 GLU HG3 H 2.453 0.007 2 1431 123 133 GLU C C 179.516 0.031 1 1432 123 133 GLU CA C 60.698 0.07 1 1433 123 133 GLU CB C 38.446 0.058 1 1434 123 133 GLU CG C 30.881 0.054 1 1435 123 133 GLU N N 121.063 0.064 1 1436 124 134 GLN H H 8.150 0.014 1 1437 124 134 GLN HA H 4.234 0.004 1 1438 124 134 GLN HB2 H 2.283 0.007 2 1439 124 134 GLN HB3 H 2.203 0.009 2 1440 124 134 GLN HG2 H 2.651 0.004 2 1441 124 134 GLN HG3 H 2.468 0.003 2 1442 124 134 GLN HE21 H 7.639 0.006 1 1443 124 134 GLN HE22 H 6.939 0.002 1 1444 124 134 GLN C C 178.719 0.022 1 1445 124 134 GLN CA C 59.184 0.058 1 1446 124 134 GLN CB C 28.427 0.04 1 1447 124 134 GLN CG C 33.956 0.083 1 1448 124 134 GLN CD C 180.333 0.009 1 1449 124 134 GLN N N 120.393 0.066 1 1450 124 134 GLN NE2 N 112.112 0.032 1 1451 125 135 PHE H H 8.173 0.008 1 1452 125 135 PHE HA H 4.127 0.007 1 1453 125 135 PHE HB2 H 3.260 0.009 1 1454 125 135 PHE HB3 H 3.258 0.012 1 1455 125 135 PHE HD1 H 7.106 0.022 3 1456 125 135 PHE HD2 H 7.106 0.022 3 1457 125 135 PHE HE1 H 7.178 0.02 3 1458 125 135 PHE HE2 H 7.178 0.02 3 1459 125 135 PHE HZ H 6.693 0.021 1 1460 125 135 PHE C C 176.999 . 1 1461 125 135 PHE CA C 61.605 0.08 1 1462 125 135 PHE CB C 39.341 0.048 1 1463 125 135 PHE CD1 C 132.695 0.062 3 1464 125 135 PHE CD2 C 132.695 0.062 3 1465 125 135 PHE CE1 C 131.317 0.106 3 1466 125 135 PHE CE2 C 131.317 0.106 3 1467 125 135 PHE CZ C 128.730 0.058 1 1468 125 135 PHE N N 119.126 0.068 1 1469 126 136 ILE H H 8.860 0.01 1 1470 126 136 ILE HA H 4.049 0.007 1 1471 126 136 ILE HB H 2.097 0.008 1 1472 126 136 ILE HG12 H 1.506 . 2 1473 126 136 ILE HG13 H 1.418 . 2 1474 126 136 ILE HG2 H 1.251 0.003 1 1475 126 136 ILE HD1 H 0.743 0.008 1 1476 126 136 ILE C C 176.401 0.031 1 1477 126 136 ILE CA C 59.667 0.053 1 1478 126 136 ILE CB C 39.574 0.027 1 1479 126 136 ILE CG1 C 30.502 0.014 1 1480 126 136 ILE CG2 C 20.783 0.031 1 1481 126 136 ILE CD1 C 14.872 0.088 1 1482 126 136 ILE N N 117.243 0.046 1 1483 127 137 ASN H H 7.787 0.007 1 1484 127 137 ASN HA H 4.284 0.012 1 1485 127 137 ASN HB2 H 2.885 0.006 2 1486 127 137 ASN HB3 H 2.569 0.006 2 1487 127 137 ASN HD21 H 7.680 0.01 1 1488 127 137 ASN HD22 H 8.115 0.01 1 1489 127 137 ASN C C 177.629 0.027 1 1490 127 137 ASN CA C 57.938 0.081 1 1491 127 137 ASN CB C 39.965 0.047 1 1492 127 137 ASN N N 121.220 0.105 1 1493 127 137 ASN ND2 N 115.683 0.061 1 1494 128 138 LYS H H 7.628 0.009 1 1495 128 138 LYS HA H 4.068 0.008 1 1496 128 138 LYS HB2 H 1.888 0.012 2 1497 128 138 LYS HB3 H 1.828 0.022 2 1498 128 138 LYS HG2 H 1.552 0.008 2 1499 128 138 LYS HG3 H 1.464 0.006 2 1500 128 138 LYS HD2 H 1.669 0.006 1 1501 128 138 LYS HD3 H 1.669 0.006 1 1502 128 138 LYS HE2 H 2.969 0.005 1 1503 128 138 LYS HE3 H 2.969 0.005 1 1504 128 138 LYS C C 179.727 0.032 1 1505 128 138 LYS CA C 59.082 0.035 1 1506 128 138 LYS CB C 32.391 0.05 1 1507 128 138 LYS CG C 25.312 0.023 1 1508 128 138 LYS CD C 29.121 0.046 1 1509 128 138 LYS CE C 42.119 0.025 1 1510 128 138 LYS N N 119.547 0.061 1 1511 129 139 VAL H H 7.832 0.006 1 1512 129 139 VAL HA H 3.571 0.005 1 1513 129 139 VAL HB H 1.472 0.007 1 1514 129 139 VAL HG1 H 0.460 0.005 2 1515 129 139 VAL HG2 H 0.304 0.007 2 1516 129 139 VAL C C 176.711 . 1 1517 129 139 VAL CA C 65.661 0.047 1 1518 129 139 VAL CB C 32.062 0.052 1 1519 129 139 VAL CG1 C 21.866 0.067 2 1520 129 139 VAL CG2 C 22.389 0.035 2 1521 129 139 VAL N N 116.525 0.019 1 1522 130 140 ALA H H 8.192 0.011 1 1523 130 140 ALA HA H 3.953 0.004 1 1524 130 140 ALA HB H 1.320 0.008 1 1525 130 140 ALA C C 176.573 . 1 1526 130 140 ALA CA C 53.880 0.052 1 1527 130 140 ALA CB C 19.658 0.071 1 1528 130 140 ALA N N 117.203 0.051 1 1529 131 141 GLY H H 7.103 0.008 1 1530 131 141 GLY HA2 H 3.887 0.008 2 1531 131 141 GLY HA3 H 3.749 0.007 2 1532 131 141 GLY C C 173.815 0.006 1 1533 131 141 GLY CA C 44.953 0.08 1 1534 131 141 GLY N N 98.801 0.057 1 1535 132 142 HIS H H 7.620 0.005 1 1536 132 142 HIS HA H 4.671 0.006 1 1537 132 142 HIS HB2 H 3.123 0.007 2 1538 132 142 HIS HB3 H 3.298 0.01 2 1539 132 142 HIS HD2 H 7.152 0.004 1 1540 132 142 HIS HE1 H 7.692 0.005 1 1541 132 142 HIS C C 175.587 . 1 1542 132 142 HIS CA C 55.137 . 1 1543 132 142 HIS CB C 32.218 0.053 1 1544 132 142 HIS CD2 C 118.500 0.104 1 1545 132 142 HIS CE1 C 139.095 0.026 1 1546 132 142 HIS N N 124.851 0.04 1 1547 133 143 PRO HA H 4.085 0.007 1 1548 133 143 PRO HB2 H 2.314 0.004 2 1549 133 143 PRO HB3 H 1.890 0.004 2 1550 133 143 PRO HG2 H 1.891 0.005 1 1551 133 143 PRO HG3 H 1.891 0.005 1 1552 133 143 PRO HD2 H 2.938 0.003 2 1553 133 143 PRO HD3 H 3.780 0.012 2 1554 133 143 PRO C C 179.432 . 1 1555 133 143 PRO CA C 65.187 0.021 1 1556 133 143 PRO CB C 32.402 0.044 1 1557 133 143 PRO CG C 27.437 0.075 1 1558 133 143 PRO CD C 50.768 0.091 1 1559 134 144 LEU H H 10.002 0.011 1 1560 134 144 LEU HA H 4.376 0.01 1 1561 134 144 LEU HB2 H 1.799 0.011 2 1562 134 144 LEU HB3 H 1.457 0.008 2 1563 134 144 LEU HG H 1.860 0.012 1 1564 134 144 LEU HD1 H 0.958 0.012 2 1565 134 144 LEU HD2 H 0.904 0.012 2 1566 134 144 LEU C C 180.666 0.023 1 1567 134 144 LEU CA C 56.903 0.037 1 1568 134 144 LEU CB C 41.371 0.046 1 1569 134 144 LEU CG C 27.190 0.05 1 1570 134 144 LEU CD1 C 25.330 0.046 2 1571 134 144 LEU CD2 C 22.605 0.053 2 1572 134 144 LEU N N 117.399 0.05 1 1573 135 145 ALA H H 7.679 0.007 1 1574 135 145 ALA HA H 4.018 0.018 1 1575 135 145 ALA HB H 1.498 0.004 1 1576 135 145 ALA C C 178.904 0.022 1 1577 135 145 ALA CA C 54.697 0.032 1 1578 135 145 ALA CB C 19.358 0.023 1 1579 135 145 ALA N N 122.663 0.031 1 1580 136 146 GLN H H 7.650 0.007 1 1581 136 146 GLN HA H 3.756 0.006 1 1582 136 146 GLN HB2 H 2.125 0.021 2 1583 136 146 GLN HB3 H 1.927 0.006 2 1584 136 146 GLN HG2 H 2.678 0.005 2 1585 136 146 GLN HG3 H 2.193 0.005 2 1586 136 146 GLN HE21 H 8.073 0.01 1 1587 136 146 GLN HE22 H 6.562 0.008 1 1588 136 146 GLN C C 175.488 . 1 1589 136 146 GLN CA C 58.258 0.034 1 1590 136 146 GLN CB C 28.296 0.038 1 1591 136 146 GLN CG C 34.197 0.057 1 1592 136 146 GLN N N 112.512 0.051 1 1593 136 146 GLN NE2 N 107.943 0.048 1 1594 137 147 ASN H H 7.230 0.011 1 1595 137 147 ASN HA H 4.904 0.007 1 1596 137 147 ASN HB2 H 2.947 0.005 2 1597 137 147 ASN HB3 H 2.679 0.007 2 1598 137 147 ASN HD21 H 7.001 0.007 1 1599 137 147 ASN HD22 H 7.701 0.007 1 1600 137 147 ASN C C 175.353 . 1 1601 137 147 ASN CA C 52.458 0.087 1 1602 137 147 ASN CB C 39.561 0.074 1 1603 137 147 ASN CG C 176.869 0.02 1 1604 137 147 ASN N N 113.070 0.043 1 1605 137 147 ASN ND2 N 111.499 0.09 1 1606 138 148 GLU H H 7.667 0.006 1 1607 138 148 GLU HA H 4.550 0.007 1 1608 138 148 GLU HB2 H 2.115 0.003 2 1609 138 148 GLU HB3 H 2.366 0.005 2 1610 138 148 GLU HG2 H 2.111 0.006 2 1611 138 148 GLU HG3 H 2.359 0.01 2 1612 138 148 GLU C C 177.725 0.022 1 1613 138 148 GLU CA C 55.428 0.018 1 1614 138 148 GLU CB C 30.880 0.027 1 1615 138 148 GLU CG C 35.150 0.051 1 1616 138 148 GLU N N 118.703 0.068 1 1617 139 149 ARG H H 8.932 0.008 1 1618 139 149 ARG HA H 4.049 0.005 1 1619 139 149 ARG HB2 H 2.125 0.012 1 1620 139 149 ARG HB3 H 2.124 0.012 1 1621 139 149 ARG HG2 H 1.763 0.011 2 1622 139 149 ARG HG3 H 1.905 0.014 2 1623 139 149 ARG HD2 H 3.287 0.011 2 1624 139 149 ARG HD3 H 3.325 0.01 2 1625 139 149 ARG C C 179.068 0.04 1 1626 139 149 ARG CA C 59.670 0.046 1 1627 139 149 ARG CB C 29.765 0.049 1 1628 139 149 ARG CG C 27.616 0.087 1 1629 139 149 ARG CD C 43.110 0.049 1 1630 139 149 ARG N N 125.425 0.078 1 1631 140 150 CYS H H 9.313 0.005 1 1632 140 150 CYS HA H 4.417 0.009 1 1633 140 150 CYS HB2 H 2.508 0.005 2 1634 140 150 CYS HB3 H 3.354 0.01 2 1635 140 150 CYS C C 175.688 0.002 1 1636 140 150 CYS CA C 60.150 0.084 1 1637 140 150 CYS CB C 25.883 0.032 1 1638 140 150 CYS N N 114.644 0.044 1 1639 141 151 LEU H H 7.109 0.012 1 1640 141 151 LEU HA H 4.072 0.006 1 1641 141 151 LEU HB2 H 2.156 0.016 2 1642 141 151 LEU HB3 H 1.329 0.013 2 1643 141 151 LEU HG H 1.510 0.004 1 1644 141 151 LEU HD1 H 0.772 0.004 2 1645 141 151 LEU HD2 H 0.770 0.005 2 1646 141 151 LEU C C 178.251 0.021 1 1647 141 151 LEU CA C 57.899 0.014 1 1648 141 151 LEU CB C 42.061 0.046 1 1649 141 151 LEU CG C 27.148 0.06 1 1650 141 151 LEU CD1 C 25.688 0.064 2 1651 141 151 LEU CD2 C 24.065 0.055 2 1652 141 151 LEU N N 123.422 0.036 1 1653 142 152 HIS H H 7.226 0.007 1 1654 142 152 HIS HA H 3.812 0.009 1 1655 142 152 HIS HB2 H 3.074 0.005 2 1656 142 152 HIS HB3 H 3.261 0.004 2 1657 142 152 HIS C C 178.357 0.0 1 1658 142 152 HIS CA C 61.449 0.034 1 1659 142 152 HIS CB C 31.379 0.064 1 1660 142 152 HIS N N 120.774 0.073 1 1661 143 153 MET H H 8.694 0.005 1 1662 143 153 MET HA H 4.123 0.007 1 1663 143 153 MET HB2 H 2.126 0.008 2 1664 143 153 MET HB3 H 2.138 0.008 2 1665 143 153 MET HG2 H 2.690 0.007 2 1666 143 153 MET HG3 H 2.347 0.013 2 1667 143 153 MET HE H 1.884 0.006 1 1668 143 153 MET C C 177.984 . 1 1669 143 153 MET CA C 58.466 0.079 1 1670 143 153 MET CB C 34.666 0.088 1 1671 143 153 MET CG C 30.049 0.043 1 1672 143 153 MET CE C 16.399 0.022 1 1673 143 153 MET N N 120.436 0.048 1 1674 144 154 PHE H H 8.336 0.012 1 1675 144 154 PHE HA H 3.695 0.006 1 1676 144 154 PHE HB2 H 3.395 0.009 1 1677 144 154 PHE HB3 H 3.395 0.009 1 1678 144 154 PHE HD1 H 6.959 0.007 3 1679 144 154 PHE HD2 H 6.959 0.007 3 1680 144 154 PHE HE1 H 7.047 . 3 1681 144 154 PHE HE2 H 7.047 . 3 1682 144 154 PHE HZ H 6.836 . 1 1683 144 154 PHE C C 176.934 0.007 1 1684 144 154 PHE CA C 62.676 0.059 1 1685 144 154 PHE CB C 40.606 0.07 1 1686 144 154 PHE N N 116.148 0.065 1 1687 145 155 LEU H H 8.348 0.005 1 1688 145 155 LEU HA H 4.063 0.003 1 1689 145 155 LEU HB2 H 1.882 0.01 2 1690 145 155 LEU HB3 H 1.318 0.012 2 1691 145 155 LEU HG H 2.086 0.009 1 1692 145 155 LEU HD1 H 0.776 0.005 2 1693 145 155 LEU HD2 H 0.818 0.018 2 1694 145 155 LEU C C 176.966 0.022 1 1695 145 155 LEU CA C 56.806 0.051 1 1696 145 155 LEU CB C 44.761 0.081 1 1697 145 155 LEU CG C 27.111 0.077 1 1698 145 155 LEU CD1 C 26.199 0.068 2 1699 145 155 LEU CD2 C 22.715 0.022 2 1700 145 155 LEU N N 112.939 0.067 1 1701 146 156 GLN H H 8.130 0.011 1 1702 146 156 GLN HA H 4.717 . 1 1703 146 156 GLN HB2 H 2.246 0.005 1 1704 146 156 GLN HB3 H 2.246 0.005 1 1705 146 156 GLN HG2 H 2.213 0.019 1 1706 146 156 GLN HG3 H 2.213 0.019 1 1707 146 156 GLN C C 176.078 . 1 1708 146 156 GLN CA C 57.057 0.027 1 1709 146 156 GLN CB C 31.614 0.115 1 1710 146 156 GLN CG C 35.024 0.004 1 1711 146 156 GLN N N 109.513 0.042 1 1712 147 157 ASP H H 7.465 0.018 1 1713 147 157 ASP HA H 4.899 0.002 1 1714 147 157 ASP HB2 H 2.634 0.011 2 1715 147 157 ASP HB3 H 2.778 0.009 2 1716 147 157 ASP C C 176.006 . 1 1717 147 157 ASP CA C 53.789 0.096 1 1718 147 157 ASP CB C 40.998 0.103 1 1719 147 157 ASP N N 121.461 0.031 1 1720 148 158 GLU H H 8.792 0.004 1 1721 148 158 GLU HA H 3.918 0.004 1 1722 148 158 GLU HB2 H 2.110 0.006 2 1723 148 158 GLU HB3 H 2.009 0.003 2 1724 148 158 GLU HG2 H 2.256 0.005 2 1725 148 158 GLU HG3 H 2.373 0.002 2 1726 148 158 GLU CA C 60.858 0.063 1 1727 148 158 GLU CB C 29.832 0.044 1 1728 148 158 GLU CG C 36.177 0.021 1 1729 148 158 GLU N N 122.118 0.061 1 1730 149 159 ILE H H 7.940 0.005 1 1731 149 159 ILE HA H 4.325 0.004 1 1732 149 159 ILE HB H 1.673 0.005 1 1733 149 159 ILE HG12 H 1.261 0.004 2 1734 149 159 ILE HG13 H 1.026 0.01 2 1735 149 159 ILE HG2 H 0.769 0.004 1 1736 149 159 ILE HD1 H 0.773 0.005 1 1737 149 159 ILE CA C 58.620 0.047 1 1738 149 159 ILE CB C 41.272 0.033 1 1739 149 159 ILE CG1 C 26.720 0.02 1 1740 149 159 ILE CG2 C 17.619 0.04 1 1741 149 159 ILE CD1 C 12.882 0.038 1 1742 149 159 ILE N N 114.907 0.077 1 1743 150 160 ILE H H 8.448 0.008 1 1744 150 160 ILE HA H 3.367 0.01 1 1745 150 160 ILE HB H 1.168 0.007 1 1746 150 160 ILE HG12 H 1.266 0.005 2 1747 150 160 ILE HG13 H 0.355 0.009 2 1748 150 160 ILE HG2 H -0.489 0.009 1 1749 150 160 ILE HD1 H 0.611 0.009 1 1750 150 160 ILE C C 174.867 . 1 1751 150 160 ILE CA C 61.635 0.041 1 1752 150 160 ILE CB C 38.279 0.054 1 1753 150 160 ILE CG1 C 27.885 0.035 1 1754 150 160 ILE CG2 C 16.593 0.039 1 1755 150 160 ILE CD1 C 14.058 0.036 1 1756 150 160 ILE N N 124.101 0.051 1 1757 151 161 ASP H H 7.722 0.01 1 1758 151 161 ASP HA H 4.628 0.008 1 1759 151 161 ASP HB2 H 2.495 0.009 2 1760 151 161 ASP HB3 H 2.834 0.008 2 1761 151 161 ASP C C 176.023 0.03 1 1762 151 161 ASP CA C 52.073 0.094 1 1763 151 161 ASP CB C 40.330 0.062 1 1764 151 161 ASP N N 128.456 0.063 1 1765 152 162 LYS H H 8.347 0.005 1 1766 152 162 LYS HA H 3.944 0.006 1 1767 152 162 LYS HB2 H 1.950 0.01 2 1768 152 162 LYS HB3 H 1.678 0.006 2 1769 152 162 LYS HG2 H 0.307 0.019 2 1770 152 162 LYS HG3 H 1.087 0.008 2 1771 152 162 LYS HD2 H 1.402 0.008 1 1772 152 162 LYS HD3 H 1.402 0.008 1 1773 152 162 LYS HE2 H 2.504 0.003 2 1774 152 162 LYS HE3 H 2.377 0.007 2 1775 152 162 LYS C C 177.687 0.036 1 1776 152 162 LYS CA C 58.179 0.057 1 1777 152 162 LYS CB C 31.689 0.08 1 1778 152 162 LYS CG C 26.144 0.03 1 1779 152 162 LYS CD C 29.270 0.029 1 1780 152 162 LYS CE C 41.924 0.052 1 1781 152 162 LYS N N 123.458 0.048 1 1782 153 163 SER H H 8.393 0.004 1 1783 153 163 SER HA H 4.644 0.008 1 1784 153 163 SER HB2 H 3.970 0.005 1 1785 153 163 SER HB3 H 3.970 0.005 1 1786 153 163 SER C C 173.894 0.02 1 1787 153 163 SER CA C 58.364 0.01 1 1788 153 163 SER CB C 63.508 0.009 1 1789 153 163 SER N N 115.533 0.034 1 1790 154 164 TYR H H 7.584 0.007 1 1791 154 164 TYR HA H 4.431 0.003 1 1792 154 164 TYR HB2 H 3.466 0.013 2 1793 154 164 TYR HB3 H 3.082 0.007 2 1794 154 164 TYR HD1 H 7.049 0.017 3 1795 154 164 TYR HD2 H 7.049 0.017 3 1796 154 164 TYR HE1 H 6.790 0.018 3 1797 154 164 TYR HE2 H 6.790 0.018 3 1798 154 164 TYR C C 173.721 0.018 1 1799 154 164 TYR CA C 57.174 0.048 1 1800 154 164 TYR CB C 38.289 0.055 1 1801 154 164 TYR CD1 C 134.025 0.089 3 1802 154 164 TYR CD2 C 134.025 0.089 3 1803 154 164 TYR CE1 C 117.438 0.059 3 1804 154 164 TYR CE2 C 117.438 0.059 3 1805 154 164 TYR N N 122.618 0.035 1 1806 155 165 THR H H 8.124 0.011 1 1807 155 165 THR HA H 4.396 0.007 1 1808 155 165 THR HB H 3.920 0.006 1 1809 155 165 THR HG2 H 1.138 0.006 1 1810 155 165 THR C C 172.285 . 1 1811 155 165 THR CA C 59.121 0.069 1 1812 155 165 THR CB C 70.148 0.056 1 1813 155 165 THR CG2 C 21.069 0.049 1 1814 155 165 THR N N 118.980 0.052 1 1815 156 166 PRO HA H 4.184 0.008 1 1816 156 166 PRO HB2 H 2.204 0.005 2 1817 156 166 PRO HB3 H 1.829 0.011 2 1818 156 166 PRO HG2 H 1.730 0.009 1 1819 156 166 PRO HG3 H 1.729 0.009 1 1820 156 166 PRO HD2 H 3.520 0.006 1 1821 156 166 PRO HD3 H 3.520 0.006 1 1822 156 166 PRO C C 176.404 . 1 1823 156 166 PRO CA C 63.485 0.053 1 1824 156 166 PRO CB C 32.190 0.054 1 1825 156 166 PRO CG C 27.334 0.084 1 1826 156 166 PRO CD C 51.083 0.038 1 1827 157 167 SER H H 7.808 0.011 1 1828 157 167 SER HA H 4.502 0.007 1 1829 157 167 SER HB2 H 3.843 0.015 2 1830 157 167 SER HB3 H 3.876 0.018 2 1831 157 167 SER C C 173.556 0.025 1 1832 157 167 SER CA C 58.092 0.036 1 1833 157 167 SER CB C 64.735 0.068 1 1834 157 167 SER N N 115.198 0.031 1 1835 158 168 LYS H H 8.291 0.01 1 1836 158 168 LYS HA H 4.904 0.021 1 1837 158 168 LYS HB2 H 1.867 0.012 2 1838 158 168 LYS HB3 H 1.608 0.008 2 1839 158 168 LYS HG2 H 1.460 0.009 1 1840 158 168 LYS HG3 H 1.460 0.009 1 1841 158 168 LYS HD2 H 1.614 0.015 1 1842 158 168 LYS HD3 H 1.614 0.015 1 1843 158 168 LYS HE2 H 2.985 0.008 1 1844 158 168 LYS HE3 H 2.985 0.008 1 1845 158 168 LYS C C 177.569 0.004 1 1846 158 168 LYS CA C 54.758 0.053 1 1847 158 168 LYS CB C 33.426 0.026 1 1848 158 168 LYS CG C 25.225 0.054 1 1849 158 168 LYS CD C 28.620 0.02 1 1850 158 168 LYS CE C 42.067 . 1 1851 158 168 LYS N N 121.084 0.082 1 1852 159 169 ILE H H 8.258 0.01 1 1853 159 169 ILE HA H 3.930 0.009 1 1854 159 169 ILE HB H 1.813 0.015 1 1855 159 169 ILE HG12 H 1.132 0.016 2 1856 159 169 ILE HG13 H 1.001 0.013 2 1857 159 169 ILE HG2 H 0.707 0.012 1 1858 159 169 ILE HD1 H 0.526 0.015 1 1859 159 169 ILE C C 176.546 0.03 1 1860 159 169 ILE CA C 61.401 0.039 1 1861 159 169 ILE CB C 37.654 0.04 1 1862 159 169 ILE CG1 C 27.204 0.051 1 1863 159 169 ILE CG2 C 17.547 0.028 1 1864 159 169 ILE CD1 C 11.602 0.029 1 1865 159 169 ILE N N 122.102 0.111 1 1866 160 170 ARG H H 8.578 0.005 1 1867 160 170 ARG HA H 4.370 0.014 1 1868 160 170 ARG HB2 H 1.749 0.007 2 1869 160 170 ARG HB3 H 1.688 0.02 2 1870 160 170 ARG HG2 H 1.518 0.014 2 1871 160 170 ARG HG3 H 1.550 0.016 2 1872 160 170 ARG HD2 H 3.130 0.007 1 1873 160 170 ARG HD3 H 3.130 0.007 1 1874 160 170 ARG C C 175.877 0.014 1 1875 160 170 ARG CA C 55.413 0.056 1 1876 160 170 ARG CB C 31.405 0.076 1 1877 160 170 ARG CG C 27.122 0.051 1 1878 160 170 ARG CD C 43.321 0.034 1 1879 160 170 ARG N N 123.174 0.061 1 1880 161 171 HIS H H 8.372 0.01 1 1881 161 171 HIS HA H 4.565 0.005 1 1882 161 171 HIS HB2 H 3.126 0.006 2 1883 161 171 HIS HB3 H 3.000 0.007 2 1884 161 171 HIS HD2 H 6.939 0.006 1 1885 161 171 HIS C C 173.770 0.01 1 1886 161 171 HIS CA C 55.872 0.079 1 1887 161 171 HIS CB C 30.413 0.162 1 1888 161 171 HIS CD2 C 119.916 0.027 1 1889 161 171 HIS N N 121.500 0.185 1 1890 162 172 ALA H H 8.085 0.027 1 1891 162 172 ALA HA H 4.081 0.015 1 1892 162 172 ALA HB H 1.295 0.012 1 1893 162 172 ALA CA C 53.815 0.055 1 1894 162 172 ALA CB C 20.113 0.095 1 1895 162 172 ALA N N 130.993 0.163 1 stop_ save_