data_17909 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignments of human Steroidogenic acute regulatory-related lipid transfer domain protein 5 ; _BMRB_accession_number 17909 _BMRB_flat_file_name bmr17909.str _Entry_type original _Submission_date 2011-09-01 _Accession_date 2011-09-01 _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 Lorin Aurelien . . 2 Letourneau Danny . . 3 Lefebvre Andree . . 4 LeHoux Jean-Guy . . 5 Lavigne Pierre . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 344 "13C chemical shifts" 705 "15N chemical shifts" 190 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-14 update BMRB 'update entry citation' 2011-10-03 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C, and (15)N backbone chemical shift assignments of StAR-related lipid transfer domain protein 5 (STARD5).' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22392336 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lorin Aurelien . . 2 Letourneau Danny . . 3 Lefebvre Andree . . 4 LeHoux Jean-Guy . . 5 Lavigne Pierre . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 21 _Page_last 24 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name StarD5 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label StarD5 $StarD5 stop_ _System_molecular_weight 23797.1169 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_StarD5 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common StarD5 _Molecular_mass 23797.1169 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 213 _Mol_residue_sequence ; MDPALAAQMSEAVAEKMLQY RRDTAGWKICREGNGVSVSW RPSVEFPGNLYRGEGIVYGT LEEVWDCVKPAVGGLRVKWD ENVTGFEIIQSITDTLCVSR TSTPSAAMKLISPRDFVDLV LVKRYEDGTISSNATHVEHP LCPPKPGFVRGFNHPCGCFC EPLPGEPTKTNLVTFFHTDL SGYLPQNVVDSFFPRSMTRF YANLQKAVKQFHE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ASP 3 PRO 4 ALA 5 LEU 6 ALA 7 ALA 8 GLN 9 MET 10 SER 11 GLU 12 ALA 13 VAL 14 ALA 15 GLU 16 LYS 17 MET 18 LEU 19 GLN 20 TYR 21 ARG 22 ARG 23 ASP 24 THR 25 ALA 26 GLY 27 TRP 28 LYS 29 ILE 30 CYS 31 ARG 32 GLU 33 GLY 34 ASN 35 GLY 36 VAL 37 SER 38 VAL 39 SER 40 TRP 41 ARG 42 PRO 43 SER 44 VAL 45 GLU 46 PHE 47 PRO 48 GLY 49 ASN 50 LEU 51 TYR 52 ARG 53 GLY 54 GLU 55 GLY 56 ILE 57 VAL 58 TYR 59 GLY 60 THR 61 LEU 62 GLU 63 GLU 64 VAL 65 TRP 66 ASP 67 CYS 68 VAL 69 LYS 70 PRO 71 ALA 72 VAL 73 GLY 74 GLY 75 LEU 76 ARG 77 VAL 78 LYS 79 TRP 80 ASP 81 GLU 82 ASN 83 VAL 84 THR 85 GLY 86 PHE 87 GLU 88 ILE 89 ILE 90 GLN 91 SER 92 ILE 93 THR 94 ASP 95 THR 96 LEU 97 CYS 98 VAL 99 SER 100 ARG 101 THR 102 SER 103 THR 104 PRO 105 SER 106 ALA 107 ALA 108 MET 109 LYS 110 LEU 111 ILE 112 SER 113 PRO 114 ARG 115 ASP 116 PHE 117 VAL 118 ASP 119 LEU 120 VAL 121 LEU 122 VAL 123 LYS 124 ARG 125 TYR 126 GLU 127 ASP 128 GLY 129 THR 130 ILE 131 SER 132 SER 133 ASN 134 ALA 135 THR 136 HIS 137 VAL 138 GLU 139 HIS 140 PRO 141 LEU 142 CYS 143 PRO 144 PRO 145 LYS 146 PRO 147 GLY 148 PHE 149 VAL 150 ARG 151 GLY 152 PHE 153 ASN 154 HIS 155 PRO 156 CYS 157 GLY 158 CYS 159 PHE 160 CYS 161 GLU 162 PRO 163 LEU 164 PRO 165 GLY 166 GLU 167 PRO 168 THR 169 LYS 170 THR 171 ASN 172 LEU 173 VAL 174 THR 175 PHE 176 PHE 177 HIS 178 THR 179 ASP 180 LEU 181 SER 182 GLY 183 TYR 184 LEU 185 PRO 186 GLN 187 ASN 188 VAL 189 VAL 190 ASP 191 SER 192 PHE 193 PHE 194 PRO 195 ARG 196 SER 197 MET 198 THR 199 ARG 200 PHE 201 TYR 202 ALA 203 ASN 204 LEU 205 GLN 206 LYS 207 ALA 208 VAL 209 LYS 210 GLN 211 PHE 212 HIS 213 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 18721 Molecule_1 100.00 213 100.00 100.00 2.42e-157 PDB 2R55 "Human Star-Related Lipid Transfer Protein 5" 98.59 231 99.05 100.00 7.34e-154 EMBL CAH91861 "hypothetical protein [Pongo abelii]" 100.00 213 99.53 100.00 5.57e-157 GB AAH04365 "StAR-related lipid transfer (START) domain containing 5 [Homo sapiens]" 100.00 213 100.00 100.00 2.42e-157 GB AAL89654 "START domain-containing 5 protein [Homo sapiens]" 100.00 213 100.00 100.00 2.42e-157 GB AIC52409 "STARD5, partial [synthetic construct]" 100.00 213 100.00 100.00 2.42e-157 GB EAW99097 "START domain containing 5, isoform CRA_c [Homo sapiens]" 100.00 213 100.00 100.00 2.42e-157 GB EHH27540 "START domain-containing protein 5 [Macaca mulatta]" 100.00 213 97.65 98.59 6.09e-153 REF NP_001126078 "stAR-related lipid transfer protein 5 [Pongo abelii]" 100.00 213 99.53 100.00 5.57e-157 REF NP_001247845 "stAR-related lipid transfer protein 5 [Macaca mulatta]" 100.00 213 97.65 98.59 6.09e-153 REF NP_871629 "stAR-related lipid transfer protein 5 [Homo sapiens]" 100.00 213 100.00 100.00 2.42e-157 REF XP_003281060 "PREDICTED: stAR-related lipid transfer protein 5 [Nomascus leucogenys]" 100.00 213 99.06 99.06 3.48e-155 REF XP_003810787 "PREDICTED: stAR-related lipid transfer protein 5 isoform X2 [Pan paniscus]" 100.00 213 99.06 99.06 3.84e-155 SP Q5R8P9 "RecName: Full=StAR-related lipid transfer protein 5; AltName: Full=START domain-containing protein 5; Short=StARD5" 100.00 213 99.53 100.00 5.57e-157 SP Q9NSY2 "RecName: Full=StAR-related lipid transfer protein 5; AltName: Full=START domain-containing protein 5; Short=StARD5" 100.00 213 100.00 100.00 2.42e-157 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $StarD5 'E. coli BL21(DE3)' 562 Bacteria . Escherichia coli BL21 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 $StarD5 'recombinant technology' 'Escherichia coli' Escherichia coli BL21 pET3A stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_StarD5_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $StarD5 1.0 mM '[U-13C; U-15N; U-2H]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Saveframe_category software _Name ANALYSIS _Version 2.1 loop_ _Vendor _Address _Electronic_address CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk stop_ loop_ _Task 'chemical shift assignment' stop_ _Details 'The CCPN NMR assignment and data analysis application' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UnityInova _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $StarD5_1 save_ save_Expt_4_(H[N[co[{CA|ca[C]}]]])_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'Expt_4 (H[N[co[{CA|ca[C]}]]])' _Sample_label $StarD5_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $StarD5_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $StarD5_1 save_ save_Expt_49_(H{[N]+[HA]})_5 _Saveframe_category NMR_applied_experiment _Experiment_name 'Expt_49 (H{[N]+[HA]})' _Sample_label $StarD5_1 save_ save_Expt_53_(H{[N]+[HA]})_6 _Saveframe_category NMR_applied_experiment _Experiment_name 'Expt_53 (H{[N]+[HA]})' _Sample_label $StarD5_1 save_ ####################### # Sample conditions # ####################### save_CondSet1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.050 . M pH 7.400 . pH pressure 1.000 . atm temperature 298.000 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 n/a indirect . . . 0.251449530 water H 1 protons ppm 4.66 internal indirect . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 n/a 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_ _Experiment_label '3D HNCACB' 'Expt_4 (H[N[co[{CA|ca[C]}]]])' '3D HNCO' 'Expt_49 (H{[N]+[HA]})' 'Expt_53 (H{[N]+[HA]})' stop_ loop_ _Sample_label $StarD5_1 stop_ _Sample_conditions_label $CondSet1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name StarD5 _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 3 3 PRO C C 178.509 0.2 1 2 3 3 PRO CA C 65.135 0.2 1 3 3 3 PRO CB C 32.020 0.2 1 4 3 3 PRO CG C 27.033 0.2 1 5 4 4 ALA H H 8.203 0.024 1 6 4 4 ALA HA H 4.121 0.05 1 7 4 4 ALA C C 180.786 0.2 1 8 4 4 ALA CA C 54.440 0.2 1 9 4 4 ALA CB C 17.444 0.2 1 10 4 4 ALA N N 121.288 0.17 1 11 5 5 LEU H H 7.584 0.02 1 12 5 5 LEU HA H 4.124 0.05 1 13 5 5 LEU C C 179.033 0.2 1 14 5 5 LEU CA C 56.781 0.2 1 15 5 5 LEU CB C 40.818 0.2 1 16 5 5 LEU CG C 26.816 0.2 1 17 5 5 LEU CD1 C 23.505 0.2 1 18 5 5 LEU CD2 C 23.505 0.2 1 19 5 5 LEU N N 121.510 0.166 1 20 6 6 ALA H H 8.191 0.014 1 21 6 6 ALA HA H 3.940 0.05 1 22 6 6 ALA C C 179.895 0.2 1 23 6 6 ALA CA C 54.419 0.2 1 24 6 6 ALA CB C 18.647 0.2 1 25 6 6 ALA N N 120.364 0.159 1 26 7 7 ALA H H 8.047 0.015 1 27 7 7 ALA HA H 3.841 0.05 1 28 7 7 ALA C C 179.042 0.2 1 29 7 7 ALA CA C 54.743 0.2 1 30 7 7 ALA CB C 17.651 0.2 1 31 7 7 ALA N N 121.632 0.095 1 32 8 8 GLN H H 7.520 0.029 1 33 8 8 GLN HA H 3.898 0.05 1 34 8 8 GLN C C 179.295 0.2 1 35 8 8 GLN CA C 58.532 0.2 1 36 8 8 GLN CB C 28.299 0.2 1 37 8 8 GLN CG C 33.408 0.2 1 38 8 8 GLN N N 117.976 0.164 1 39 9 9 MET H H 8.708 0.012 1 40 9 9 MET HA H 3.963 0.012 1 41 9 9 MET C C 178.936 0.2 1 42 9 9 MET CA C 58.586 0.2 1 43 9 9 MET CB C 32.857 0.2 1 44 9 9 MET CG C 31.547 0.2 1 45 9 9 MET N N 119.001 0.117 1 46 10 10 SER H H 8.231 0.016 1 47 10 10 SER HA H 4.148 0.05 1 48 10 10 SER C C 176.327 0.2 1 49 10 10 SER CA C 60.680 0.2 1 50 10 10 SER CB C 62.633 0.2 1 51 10 10 SER N N 114.477 0.127 1 52 11 11 GLU H H 7.636 0.008 1 53 11 11 GLU HA H 3.886 0.05 1 54 11 11 GLU C C 179.169 0.2 1 55 11 11 GLU CA C 58.505 0.2 1 56 11 11 GLU CB C 28.272 0.2 1 57 11 11 GLU CG C 35.412 0.2 1 58 11 11 GLU N N 123.653 0.065 1 59 12 12 ALA H H 7.203 0.01 1 60 12 12 ALA HA H 4.143 0.05 1 61 12 12 ALA C C 180.850 0.2 1 62 12 12 ALA CA C 54.400 0.2 1 63 12 12 ALA CB C 17.219 0.2 1 64 12 12 ALA N N 121.316 0.129 1 65 13 13 VAL H H 7.624 0.017 1 66 13 13 VAL HA H 3.289 0.05 1 67 13 13 VAL C C 178.116 0.2 1 68 13 13 VAL CA C 66.008 0.2 1 69 13 13 VAL CB C 30.439 0.2 1 70 13 13 VAL CG1 C 21.758 0.2 1 71 13 13 VAL CG2 C 21.758 0.2 1 72 13 13 VAL N N 120.517 0.121 1 73 14 14 ALA H H 8.214 0.009 1 74 14 14 ALA HA H 3.957 0.05 1 75 14 14 ALA C C 180.387 0.2 1 76 14 14 ALA CA C 54.321 0.2 1 77 14 14 ALA CB C 16.859 0.2 1 78 14 14 ALA N N 121.155 0.192 1 79 15 15 GLU H H 7.894 0.014 1 80 15 15 GLU HA H 3.960 0.05 1 81 15 15 GLU C C 179.013 0.2 1 82 15 15 GLU CA C 58.814 0.2 1 83 15 15 GLU CB C 28.811 0.2 1 84 15 15 GLU N N 118.615 0.127 1 85 16 16 LYS H H 7.547 0.006 1 86 16 16 LYS HA H 3.613 0.05 1 87 16 16 LYS CA C 59.319 0.2 1 88 16 16 LYS CB C 31.769 0.2 1 89 16 16 LYS N N 121.407 0.044 1 90 17 17 MET C C 178.306 0.2 1 91 18 18 LEU H H 7.768 0.002 1 92 18 18 LEU HA H 3.866 0.05 1 93 18 18 LEU C C 179.085 0.2 1 94 18 18 LEU CA C 57.625 0.2 1 95 18 18 LEU CB C 41.161 0.2 1 96 18 18 LEU N N 118.534 0.175 1 97 19 19 GLN H H 7.554 0.014 1 98 19 19 GLN HA H 3.786 0.05 1 99 19 19 GLN C C 179.622 0.2 1 100 19 19 GLN CA C 58.535 0.2 1 101 19 19 GLN CB C 26.659 0.2 1 102 19 19 GLN N N 118.710 0.065 1 103 20 20 TYR H H 8.466 0.016 1 104 20 20 TYR HA H 5.360 0.05 1 105 20 20 TYR C C 178.990 0.2 1 106 20 20 TYR CA C 57.361 0.2 1 107 20 20 TYR CB C 36.332 0.2 1 108 20 20 TYR N N 119.396 0.137 1 109 21 21 ARG H H 7.998 0.014 1 110 21 21 ARG HA H 4.444 0.05 1 111 21 21 ARG C C 178.198 0.2 1 112 21 21 ARG CA C 57.702 0.2 1 113 21 21 ARG CB C 28.733 0.2 1 114 21 21 ARG N N 116.518 0.226 1 115 22 22 ARG H H 7.804 0.022 1 116 22 22 ARG HA H 4.169 0.05 1 117 22 22 ARG C C 176.089 0.2 1 118 22 22 ARG CA C 55.996 0.2 1 119 22 22 ARG CB C 30.049 0.2 1 120 22 22 ARG CG C 27.324 0.2 1 121 22 22 ARG N N 116.482 0.204 1 122 23 23 ASP H H 7.732 0.015 1 123 23 23 ASP HA H 4.690 0.05 1 124 23 23 ASP C C 177.144 0.2 1 125 23 23 ASP CA C 53.935 0.2 1 126 23 23 ASP CB C 40.953 0.2 1 127 23 23 ASP N N 120.810 0.097 1 128 24 24 THR H H 8.298 0.015 1 129 24 24 THR HA H 4.802 0.05 1 130 24 24 THR C C 174.980 0.2 1 131 24 24 THR CA C 61.132 0.2 1 132 24 24 THR CB C 68.754 0.2 1 133 24 24 THR N N 116.290 0.136 1 134 25 25 ALA H H 8.071 0.014 1 135 25 25 ALA HA H 4.424 0.05 1 136 25 25 ALA C C 177.732 0.2 1 137 25 25 ALA CA C 51.861 0.2 1 138 25 25 ALA CB C 19.836 0.2 1 139 25 25 ALA N N 127.149 0.119 1 140 26 26 GLY H H 8.266 0.007 1 141 26 26 GLY HA2 H 3.620 0.05 1 142 26 26 GLY HA3 H 3.620 0.05 1 143 26 26 GLY C C 174.189 0.2 1 144 26 26 GLY CA C 45.234 0.2 1 145 26 26 GLY N N 106.953 0.199 1 146 27 27 TRP H H 7.101 0.02 1 147 27 27 TRP HA H 4.102 0.05 1 148 27 27 TRP C C 176.135 0.2 1 149 27 27 TRP CA C 55.835 0.2 1 150 27 27 TRP CB C 30.509 0.2 1 151 27 27 TRP N N 119.075 0.122 1 152 28 28 LYS H H 8.447 0.008 1 153 28 28 LYS HA H 4.535 0.05 1 154 28 28 LYS C C 175.783 0.2 1 155 28 28 LYS CA C 55.128 0.2 1 156 28 28 LYS CB C 33.847 0.2 1 157 28 28 LYS CG C 24.497 0.2 1 158 28 28 LYS CD C 28.044 0.2 1 159 28 28 LYS N N 122.782 0.046 1 160 29 29 ILE H H 8.655 0.022 1 161 29 29 ILE HA H 4.125 0.05 1 162 29 29 ILE C C 176.945 0.2 1 163 29 29 ILE CA C 61.605 0.2 1 164 29 29 ILE CB C 37.630 0.2 1 165 29 29 ILE N N 124.727 0.151 1 166 30 30 CYS H H 9.673 0.017 1 167 30 30 CYS HA H 5.199 0.05 1 168 30 30 CYS C C 174.228 0.2 1 169 30 30 CYS CA C 57.319 0.2 1 170 30 30 CYS CB C 30.132 0.2 1 171 30 30 CYS N N 122.733 0.126 1 172 31 31 ARG H H 7.961 0.017 1 173 31 31 ARG HA H 4.653 0.05 1 174 31 31 ARG C C 173.236 0.2 1 175 31 31 ARG CA C 56.114 0.2 1 176 31 31 ARG CB C 32.495 0.2 1 177 31 31 ARG CG C 26.452 0.2 1 178 31 31 ARG CD C 42.786 0.2 1 179 31 31 ARG N N 121.694 0.165 1 180 32 32 GLU H H 8.543 0.018 1 181 32 32 GLU HA H 5.183 0.05 1 182 32 32 GLU C C 175.210 0.2 1 183 32 32 GLU CA C 55.398 0.2 1 184 32 32 GLU CB C 32.070 0.2 1 185 32 32 GLU CG C 35.964 0.2 1 186 32 32 GLU N N 122.333 0.039 1 187 33 33 GLY H H 8.236 0.017 1 188 33 33 GLY HA3 H 3.968 0.05 1 189 33 33 GLY C C 172.526 0.2 1 190 33 33 GLY CA C 44.873 0.2 1 191 33 33 GLY N N 110.509 0.156 1 192 34 34 ASN H H 8.160 0.004 1 193 34 34 ASN HA H 4.489 0.05 1 194 34 34 ASN C C 174.992 0.2 1 195 34 34 ASN CA C 54.848 0.2 1 196 34 34 ASN CB C 41.806 0.2 1 197 34 34 ASN N N 123.436 0.119 1 198 35 35 GLY H H 8.585 0.016 1 199 35 35 GLY HA2 H 3.967 0.05 1 200 35 35 GLY HA3 H 3.967 0.05 1 201 35 35 GLY C C 173.789 0.2 1 202 35 35 GLY CA C 45.081 0.2 1 203 35 35 GLY N N 106.365 0.136 1 204 36 36 VAL H H 7.443 0.011 1 205 36 36 VAL HA H 4.490 0.05 1 206 36 36 VAL C C 173.797 0.2 1 207 36 36 VAL CA C 59.804 0.2 1 208 36 36 VAL CB C 33.673 0.2 1 209 36 36 VAL N N 120.060 0.052 1 210 37 37 SER H H 8.044 0.019 1 211 37 37 SER HA H 4.813 0.05 1 212 37 37 SER C C 173.644 0.2 1 213 37 37 SER CA C 56.297 0.2 1 214 37 37 SER CB C 64.355 0.2 1 215 37 37 SER N N 120.497 0.152 1 216 38 38 VAL H H 9.010 0.022 1 217 38 38 VAL C C 174.820 0.2 1 218 38 38 VAL CA C 60.448 0.2 1 219 38 38 VAL CB C 33.105 0.2 1 220 38 38 VAL N N 125.868 0.177 1 221 39 39 SER H H 9.779 0.009 1 222 39 39 SER HA H 5.877 0.05 1 223 39 39 SER C C 172.409 0.2 1 224 39 39 SER CA C 56.734 0.2 1 225 39 39 SER CB C 66.799 0.2 1 226 39 39 SER N N 123.579 0.143 1 227 40 40 TRP H H 9.370 0.017 1 228 40 40 TRP HA H 6.021 0.05 1 229 40 40 TRP C C 174.239 0.2 1 230 40 40 TRP CA C 55.099 0.2 1 231 40 40 TRP CB C 33.572 0.2 1 232 40 40 TRP N N 117.987 0.112 1 233 41 41 ARG H H 8.830 0.002 1 234 41 41 ARG CA C 53.839 0.2 1 235 41 41 ARG CB C 30.020 0.2 1 236 41 41 ARG N N 116.841 0.003 1 237 42 42 PRO C C 177.316 0.2 1 238 42 42 PRO CA C 63.416 0.2 1 239 42 42 PRO CB C 31.097 0.2 1 240 43 43 SER H H 8.940 0.016 1 241 43 43 SER C C 176.683 0.2 1 242 43 43 SER CA C 57.532 0.2 1 243 43 43 SER CB C 61.816 0.2 1 244 43 43 SER N N 118.280 0.05 1 245 44 44 VAL H H 8.591 0.008 1 246 44 44 VAL HA H 4.486 0.05 1 247 44 44 VAL C C 176.858 0.2 1 248 44 44 VAL CA C 60.933 0.2 1 249 44 44 VAL CB C 30.429 0.2 1 250 44 44 VAL CG1 C 18.888 0.2 2 251 44 44 VAL CG2 C 20.657 0.2 2 252 44 44 VAL N N 117.979 0.063 1 253 45 45 GLU H H 9.522 0.022 1 254 45 45 GLU C C 174.866 0.2 1 255 45 45 GLU CA C 55.444 0.2 1 256 45 45 GLU CB C 29.553 0.2 1 257 45 45 GLU N N 121.467 0.141 1 258 46 46 PHE H H 7.712 0.018 1 259 46 46 PHE HA H 3.961 0.05 1 260 46 46 PHE CA C 54.266 0.2 1 261 46 46 PHE CB C 37.526 0.2 1 262 46 46 PHE N N 118.722 0.186 1 263 47 47 PRO C C 174.582 0.2 1 264 47 47 PRO CA C 61.907 0.2 1 265 47 47 PRO CB C 28.354 0.2 1 266 48 48 GLY H H 6.278 0.014 1 267 48 48 GLY HA2 H 3.824 0.05 1 268 48 48 GLY HA3 H 3.824 0.05 1 269 48 48 GLY C C 171.329 0.2 1 270 48 48 GLY CA C 44.676 0.2 1 271 48 48 GLY N N 111.342 0.147 1 272 49 49 ASN H H 8.539 0.019 1 273 49 49 ASN HA H 5.191 0.05 1 274 49 49 ASN C C 174.450 0.2 1 275 49 49 ASN CA C 52.371 0.2 1 276 49 49 ASN CB C 41.823 0.2 1 277 49 49 ASN N N 118.077 0.15 1 278 50 50 LEU H H 9.216 0.016 1 279 50 50 LEU HA H 4.842 0.05 1 280 50 50 LEU C C 174.425 0.2 1 281 50 50 LEU CA C 53.229 0.2 1 282 50 50 LEU CB C 43.711 0.2 1 283 50 50 LEU N N 121.912 0.122 1 284 51 51 TYR H H 9.111 0.013 1 285 51 51 TYR C C 173.797 0.2 1 286 51 51 TYR CA C 56.903 0.2 1 287 51 51 TYR CB C 41.852 0.2 1 288 51 51 TYR N N 121.960 0.139 1 289 52 52 ARG H H 9.076 0.004 1 290 52 52 ARG C C 174.630 0.2 1 291 52 52 ARG CA C 52.633 0.2 1 292 52 52 ARG CB C 33.517 0.2 1 293 52 52 ARG N N 123.378 0.172 1 294 53 53 GLY H H 9.642 0.01 1 295 53 53 GLY HA2 H 5.171 0.05 1 296 53 53 GLY HA3 H 5.171 0.05 1 297 53 53 GLY C C 172.016 0.2 1 298 53 53 GLY CA C 42.744 0.2 1 299 53 53 GLY N N 118.176 0.155 1 300 54 54 GLU H H 7.803 0.024 1 301 54 54 GLU HA H 4.980 0.05 1 302 54 54 GLU C C 174.883 0.2 1 303 54 54 GLU CA C 54.983 0.2 1 304 54 54 GLU CB C 32.456 0.2 1 305 54 54 GLU CG C 36.017 0.2 1 306 54 54 GLU N N 118.985 0.216 1 307 55 55 GLY H H 7.915 0.003 1 308 55 55 GLY C C 170.262 0.2 1 309 55 55 GLY CA C 45.232 0.2 1 310 55 55 GLY N N 113.016 0.015 1 311 56 56 ILE H H 8.215 0.004 1 312 56 56 ILE HA H 4.475 0.05 1 313 56 56 ILE C C 175.941 0.2 1 314 56 56 ILE CA C 59.856 0.2 1 315 56 56 ILE CB C 37.609 0.2 1 316 56 56 ILE CG1 C 27.427 0.2 1 317 56 56 ILE CG2 C 17.520 0.2 1 318 56 56 ILE N N 121.134 0.059 1 319 57 57 VAL H H 9.387 0.011 1 320 57 57 VAL HA H 3.988 0.008 1 321 57 57 VAL C C 173.413 0.2 1 322 57 57 VAL CA C 61.011 0.2 1 323 57 57 VAL CB C 33.543 0.2 1 324 57 57 VAL CG1 C 21.335 0.2 1 325 57 57 VAL CG2 C 21.335 0.2 1 326 57 57 VAL N N 127.991 0.04 1 327 58 58 TYR H H 9.122 0.018 1 328 58 58 TYR HA H 4.481 0.05 1 329 58 58 TYR C C 174.859 0.2 1 330 58 58 TYR CA C 58.442 0.2 1 331 58 58 TYR CB C 35.356 0.2 1 332 58 58 TYR N N 128.457 0.125 1 333 59 59 GLY H H 7.942 0.02 1 334 59 59 GLY C C 171.870 0.2 1 335 59 59 GLY CA C 44.286 0.2 1 336 59 59 GLY N N 113.126 0.202 1 337 60 60 THR H H 8.540 0.022 1 338 60 60 THR HA H 4.287 0.05 1 339 60 60 THR C C 174.415 0.2 1 340 60 60 THR CA C 60.406 0.2 1 341 60 60 THR CB C 70.107 0.2 1 342 60 60 THR CG2 C 21.251 0.2 1 343 60 60 THR N N 112.227 0.141 1 344 61 61 LEU H H 8.179 0.023 1 345 61 61 LEU C C 178.696 0.2 1 346 61 61 LEU CA C 58.784 0.2 1 347 61 61 LEU CB C 41.738 0.2 1 348 61 61 LEU CG C 25.006 0.2 1 349 61 61 LEU CD1 C 25.006 0.2 1 350 61 61 LEU CD2 C 25.006 0.2 1 351 61 61 LEU N N 122.837 0.168 1 352 62 62 GLU H H 8.102 0.011 1 353 62 62 GLU HA H 3.815 0.05 1 354 62 62 GLU C C 179.009 0.2 1 355 62 62 GLU CA C 59.098 0.2 1 356 62 62 GLU CB C 28.512 0.2 1 357 62 62 GLU CG C 36.305 0.2 1 358 62 62 GLU N N 113.801 0.17 1 359 63 63 GLU H H 7.358 0.009 1 360 63 63 GLU HA H 3.510 0.05 1 361 63 63 GLU C C 177.483 0.2 1 362 63 63 GLU CA C 58.608 0.2 1 363 63 63 GLU CB C 28.931 0.2 1 364 63 63 GLU CG C 36.524 0.2 1 365 63 63 GLU N N 119.237 0.136 1 366 64 64 VAL H H 8.347 0.005 1 367 64 64 VAL C C 178.206 0.2 1 368 64 64 VAL CA C 66.726 0.2 1 369 64 64 VAL CB C 30.101 0.2 1 370 64 64 VAL CG1 C 21.917 0.2 1 371 64 64 VAL CG2 C 21.917 0.2 1 372 64 64 VAL N N 119.602 0.171 1 373 65 65 TRP H H 8.897 0.021 1 374 65 65 TRP CA C 58.747 0.2 1 375 65 65 TRP CB C 30.091 0.2 1 376 65 65 TRP N N 119.813 0.131 1 377 66 66 ASP C C 178.299 0.2 1 378 66 66 ASP CA C 56.963 0.2 1 379 66 66 ASP CB C 39.536 0.2 1 380 67 67 CYS H H 7.237 0.014 1 381 67 67 CYS HA H 4.184 0.05 1 382 67 67 CYS C C 175.858 0.2 1 383 67 67 CYS CA C 63.688 0.2 1 384 67 67 CYS CB C 27.698 0.2 1 385 67 67 CYS N N 112.726 0.164 1 386 68 68 VAL H H 7.327 0.009 1 387 68 68 VAL C C 176.193 0.2 1 388 68 68 VAL CA C 60.953 0.2 1 389 68 68 VAL CB C 33.494 0.2 1 390 68 68 VAL CG2 C 19.709 0.2 1 391 68 68 VAL N N 109.667 0.179 1 392 69 69 LYS H H 7.731 0.011 1 393 69 69 LYS HA H 4.820 0.05 1 394 69 69 LYS CA C 54.337 0.2 1 395 69 69 LYS CB C 29.449 0.2 1 396 69 69 LYS N N 121.843 0.086 1 397 70 70 PRO C C 174.566 0.2 1 398 70 70 PRO CA C 61.130 0.2 1 399 70 70 PRO CB C 28.557 0.2 1 400 71 71 ALA H H 6.998 0.014 1 401 71 71 ALA HA H 4.349 0.001 1 402 71 71 ALA C C 177.083 0.2 1 403 71 71 ALA CA C 50.795 0.2 1 404 71 71 ALA CB C 21.057 0.2 1 405 71 71 ALA N N 125.122 0.058 1 406 72 72 VAL H H 8.860 0.028 1 407 72 72 VAL HA H 4.806 0.05 1 408 72 72 VAL C C 170.752 0.2 1 409 72 72 VAL CA C 63.753 0.2 1 410 72 72 VAL CB C 30.939 0.2 1 411 72 72 VAL N N 124.745 0.114 1 412 73 73 GLY H H 8.705 0.012 1 413 73 73 GLY HA2 H 3.796 0.05 1 414 73 73 GLY HA3 H 3.796 0.05 1 415 73 73 GLY C C 174.976 0.2 1 416 73 73 GLY CA C 45.064 0.2 1 417 73 73 GLY N N 111.812 0.145 1 418 74 74 GLY H H 7.486 0.015 1 419 74 74 GLY HA2 H 3.968 0.05 1 420 74 74 GLY HA3 H 3.968 0.05 1 421 74 74 GLY C C 174.010 0.2 1 422 74 74 GLY CA C 44.321 0.2 1 423 74 74 GLY N N 105.101 0.111 1 424 75 75 LEU H H 8.296 0.025 1 425 75 75 LEU HA H 4.694 0.05 1 426 75 75 LEU C C 178.387 0.2 1 427 75 75 LEU CA C 56.347 0.2 1 428 75 75 LEU CB C 41.790 0.2 1 429 75 75 LEU CG C 24.922 0.2 1 430 75 75 LEU CD1 C 21.641 0.2 1 431 75 75 LEU CD2 C 21.641 0.2 1 432 75 75 LEU N N 119.169 0.182 1 433 76 76 ARG H H 8.346 0.005 1 434 76 76 ARG C C 176.894 0.2 1 435 76 76 ARG CA C 59.463 0.2 1 436 76 76 ARG CB C 29.272 0.2 1 437 76 76 ARG CG C 27.363 0.2 1 438 76 76 ARG CD C 42.761 0.2 1 439 76 76 ARG N N 120.064 0.09 1 440 77 77 VAL H H 7.082 0.016 1 441 77 77 VAL HA H 3.438 0.05 1 442 77 77 VAL C C 176.269 0.2 1 443 77 77 VAL CA C 63.159 0.2 1 444 77 77 VAL CB C 30.993 0.2 1 445 77 77 VAL CG1 C 20.520 0.2 1 446 77 77 VAL CG2 C 20.520 0.2 1 447 77 77 VAL N N 109.951 0.129 1 448 78 78 LYS H H 7.622 0.023 1 449 78 78 LYS HA H 4.621 0.05 1 450 78 78 LYS C C 177.927 0.2 1 451 78 78 LYS CA C 57.121 0.2 1 452 78 78 LYS CB C 31.762 0.2 1 453 78 78 LYS CG C 24.995 0.2 1 454 78 78 LYS CD C 28.599 0.2 1 455 78 78 LYS N N 117.376 0.162 1 456 79 79 TRP H H 6.915 0.022 1 457 79 79 TRP HA H 4.821 0.05 1 458 79 79 TRP C C 175.854 0.2 1 459 79 79 TRP CA C 55.965 0.2 1 460 79 79 TRP CB C 31.702 0.2 1 461 79 79 TRP N N 112.688 0.097 1 462 80 80 ASP H H 7.326 0.006 1 463 80 80 ASP HA H 3.958 0.05 1 464 80 80 ASP C C 176.927 0.2 1 465 80 80 ASP CA C 54.283 0.2 1 466 80 80 ASP CB C 39.371 0.2 1 467 80 80 ASP N N 124.141 0.141 1 468 81 81 GLU H H 7.358 0.022 1 469 81 81 GLU HA H 4.145 0.05 1 470 81 81 GLU C C 176.290 0.2 1 471 81 81 GLU CA C 56.936 0.2 1 472 81 81 GLU CB C 29.343 0.2 1 473 81 81 GLU CG C 35.368 0.2 1 474 81 81 GLU N N 126.188 0.098 1 475 82 82 ASN H H 8.372 0.016 1 476 82 82 ASN HA H 4.671 0.05 1 477 82 82 ASN C C 173.941 0.2 1 478 82 82 ASN CA C 53.362 0.2 1 479 82 82 ASN CB C 39.171 0.2 1 480 82 82 ASN N N 116.055 0.149 1 481 83 83 VAL H H 7.318 0.017 1 482 83 83 VAL HA H 4.490 0.05 1 483 83 83 VAL C C 174.288 0.2 1 484 83 83 VAL CA C 61.125 0.2 1 485 83 83 VAL CB C 34.395 0.2 1 486 83 83 VAL CG1 C 21.099 0.2 1 487 83 83 VAL CG2 C 21.099 0.2 1 488 83 83 VAL N N 117.474 0.096 1 489 84 84 THR H H 8.780 0.017 1 490 84 84 THR HA H 4.356 0.05 1 491 84 84 THR C C 175.223 0.2 1 492 84 84 THR CA C 60.922 0.2 1 493 84 84 THR CB C 69.024 0.2 1 494 84 84 THR CG2 C 22.119 0.2 1 495 84 84 THR N N 114.086 0.139 1 496 85 85 GLY H H 7.334 0.015 1 497 85 85 GLY HA2 H 4.348 0.05 1 498 85 85 GLY HA3 H 4.348 0.05 1 499 85 85 GLY C C 170.429 0.2 1 500 85 85 GLY CA C 45.100 0.2 1 501 85 85 GLY N N 109.583 0.196 1 502 86 86 PHE H H 8.125 0.027 1 503 86 86 PHE HA H 5.081 0.05 1 504 86 86 PHE C C 173.181 0.2 1 505 86 86 PHE CA C 57.840 0.2 1 506 86 86 PHE CB C 41.824 0.2 1 507 86 86 PHE N N 121.676 0.173 1 508 87 87 GLU H H 8.174 0.01 1 509 87 87 GLU HA H 4.368 0.05 1 510 87 87 GLU C C 173.863 0.2 1 511 87 87 GLU CA C 53.263 0.2 1 512 87 87 GLU CB C 32.942 0.2 1 513 87 87 GLU CG C 35.415 0.2 1 514 87 87 GLU N N 125.081 0.159 1 515 88 88 ILE H H 8.511 0.02 1 516 88 88 ILE HA H 3.779 0.05 1 517 88 88 ILE C C 175.476 0.2 1 518 88 88 ILE CA C 60.185 0.2 1 519 88 88 ILE CB C 36.856 0.2 1 520 88 88 ILE CG1 C 27.771 0.2 1 521 88 88 ILE CG2 C 17.486 0.2 1 522 88 88 ILE N N 121.648 0.147 1 523 89 89 ILE H H 8.842 0.007 1 524 89 89 ILE C C 175.672 0.2 1 525 89 89 ILE CA C 59.820 0.2 1 526 89 89 ILE CB C 36.594 0.2 1 527 89 89 ILE CG1 C 26.009 0.2 1 528 89 89 ILE CG2 C 16.274 0.2 1 529 89 89 ILE N N 128.963 0.007 1 530 90 90 GLN H H 7.433 0.019 1 531 90 90 GLN HA H 4.316 0.05 1 532 90 90 GLN CA C 54.897 0.2 1 533 90 90 GLN CB C 30.839 0.2 1 534 90 90 GLN N N 117.640 0.186 1 535 91 91 SER C C 174.005 0.2 1 536 91 91 SER CA C 57.709 0.2 1 537 91 91 SER CB C 62.668 0.2 1 538 92 92 ILE H H 8.216 0.014 1 539 92 92 ILE HA H 4.165 0.05 1 540 92 92 ILE C C 176.012 0.2 1 541 92 92 ILE CA C 64.214 0.2 1 542 92 92 ILE CB C 37.353 0.2 1 543 92 92 ILE N N 127.582 0.212 1 544 93 93 THR H H 8.783 0.016 1 545 93 93 THR HA H 4.673 0.05 1 546 93 93 THR C C 174.386 0.2 1 547 93 93 THR CA C 59.403 0.2 1 548 93 93 THR CB C 71.854 0.2 1 549 93 93 THR N N 110.655 0.153 1 550 94 94 ASP H H 8.814 0.015 1 551 94 94 ASP C C 177.303 0.2 1 552 94 94 ASP CA C 56.370 0.2 1 553 94 94 ASP CB C 39.637 0.2 1 554 94 94 ASP N N 116.951 0.071 1 555 95 95 THR H H 8.082 0.009 1 556 95 95 THR HA H 4.496 0.05 1 557 95 95 THR C C 172.992 0.2 1 558 95 95 THR CA C 60.241 0.2 1 559 95 95 THR CB C 69.495 0.2 1 560 95 95 THR N N 106.007 0.063 1 561 96 96 LEU H H 7.300 0.017 1 562 96 96 LEU HA H 5.702 0.05 1 563 96 96 LEU C C 174.205 0.2 1 564 96 96 LEU CA C 54.093 0.2 1 565 96 96 LEU CB C 44.900 0.2 1 566 96 96 LEU N N 125.981 0.121 1 567 97 97 CYS H H 8.980 0.013 1 568 97 97 CYS HA H 5.187 0.05 1 569 97 97 CYS C C 171.021 0.2 1 570 97 97 CYS CA C 54.769 0.2 1 571 97 97 CYS CB C 31.579 0.2 1 572 97 97 CYS N N 120.429 0.155 1 573 98 98 VAL H H 8.793 0.018 1 574 98 98 VAL HA H 5.487 0.05 1 575 98 98 VAL C C 175.608 0.2 1 576 98 98 VAL CA C 60.136 0.2 1 577 98 98 VAL CB C 31.876 0.2 1 578 98 98 VAL N N 119.239 0.119 1 579 99 99 SER H H 9.924 0.017 1 580 99 99 SER C C 172.093 0.2 1 581 99 99 SER CA C 56.108 0.2 1 582 99 99 SER CB C 68.591 0.2 1 583 99 99 SER N N 124.389 0.122 1 584 100 100 ARG H H 8.700 0.016 1 585 100 100 ARG HA H 5.567 0.05 1 586 100 100 ARG C C 175.567 0.2 1 587 100 100 ARG CA C 53.472 0.2 1 588 100 100 ARG CB C 32.334 0.2 1 589 100 100 ARG CG C 27.748 0.2 1 590 100 100 ARG N N 119.878 0.115 1 591 101 101 THR H H 8.899 0.018 1 592 101 101 THR HA H 5.100 0.05 1 593 101 101 THR C C 173.378 0.2 1 594 101 101 THR CA C 61.210 0.2 1 595 101 101 THR CB C 70.218 0.2 1 596 101 101 THR N N 125.850 0.127 1 597 102 102 SER H H 8.456 0.016 1 598 102 102 SER HA H 5.039 0.05 1 599 102 102 SER C C 173.311 0.2 1 600 102 102 SER CA C 56.529 0.2 1 601 102 102 SER CB C 65.360 0.2 1 602 102 102 SER N N 119.925 0.206 1 603 103 103 THR H H 8.839 0.014 1 604 103 103 THR HA H 5.233 0.05 1 605 103 103 THR CA C 58.922 0.2 1 606 103 103 THR CB C 69.096 0.2 1 607 103 103 THR N N 115.208 0.118 1 608 104 104 PRO C C 176.920 0.2 1 609 104 104 PRO CA C 61.588 0.2 1 610 104 104 PRO CB C 31.962 0.2 1 611 105 105 SER H H 8.309 0.02 1 612 105 105 SER HA H 4.487 0.05 1 613 105 105 SER C C 172.049 0.2 1 614 105 105 SER CA C 58.541 0.2 1 615 105 105 SER CB C 63.508 0.2 1 616 105 105 SER N N 114.050 0.202 1 617 106 106 ALA H H 8.923 0.011 1 618 106 106 ALA C C 175.818 0.2 1 619 106 106 ALA CA C 50.463 0.2 1 620 106 106 ALA CB C 22.701 0.2 1 621 106 106 ALA N N 125.920 0.037 1 622 107 107 ALA H H 8.741 0.018 1 623 107 107 ALA C C 177.715 0.2 1 624 107 107 ALA CA C 51.259 0.2 1 625 107 107 ALA CB C 16.214 0.2 1 626 107 107 ALA N N 120.759 0.116 1 627 108 108 MET H H 8.695 0.027 1 628 108 108 MET C C 175.245 0.2 1 629 108 108 MET CA C 55.690 0.2 1 630 108 108 MET CB C 29.305 0.2 1 631 108 108 MET N N 117.176 0.137 1 632 109 109 LYS H H 7.637 0.003 1 633 109 109 LYS C C 176.249 0.2 1 634 109 109 LYS CA C 57.901 0.2 1 635 109 109 LYS CB C 29.328 0.2 1 636 109 109 LYS N N 109.716 0.124 1 637 110 110 LEU H H 7.824 0.019 1 638 110 110 LEU HA H 4.657 0.05 1 639 110 110 LEU C C 177.713 0.2 1 640 110 110 LEU CA C 56.739 0.2 1 641 110 110 LEU CB C 41.253 0.2 1 642 110 110 LEU N N 120.234 0.164 1 643 111 111 ILE H H 7.780 0.01 1 644 111 111 ILE HA H 3.957 0.05 1 645 111 111 ILE C C 174.276 0.2 1 646 111 111 ILE CA C 60.038 0.2 1 647 111 111 ILE CB C 37.480 0.2 1 648 111 111 ILE N N 117.455 0.067 1 649 112 112 SER H H 8.072 0.016 1 650 112 112 SER CA C 58.124 0.2 1 651 112 112 SER CB C 60.230 0.2 1 652 112 112 SER N N 122.641 0.124 1 653 113 113 PRO C C 175.058 0.2 1 654 113 113 PRO CA C 65.508 0.2 1 655 113 113 PRO CB C 31.849 0.2 1 656 114 114 ARG H H 7.596 0.019 1 657 114 114 ARG C C 176.497 0.2 1 658 114 114 ARG CA C 52.722 0.2 1 659 114 114 ARG CB C 35.887 0.2 1 660 114 114 ARG N N 126.146 0.111 1 661 115 115 ASP H H 8.524 0.004 1 662 115 115 ASP C C 172.164 0.2 1 663 115 115 ASP CA C 52.048 0.2 1 664 115 115 ASP CB C 41.880 0.2 1 665 115 115 ASP N N 117.014 0.027 1 666 116 116 PHE H H 8.011 0.012 1 667 116 116 PHE HA H 4.551 0.05 1 668 116 116 PHE C C 174.868 0.2 1 669 116 116 PHE CA C 57.105 0.2 1 670 116 116 PHE CB C 42.153 0.2 1 671 116 116 PHE N N 113.686 0.17 1 672 117 117 VAL H H 9.564 0.01 1 673 117 117 VAL C C 173.847 0.2 1 674 117 117 VAL CA C 61.513 0.2 1 675 117 117 VAL CB C 31.784 0.2 1 676 117 117 VAL CG1 C 21.011 0.2 1 677 117 117 VAL CG2 C 21.011 0.2 1 678 117 117 VAL N N 127.760 0.115 1 679 118 118 ASP H H 8.528 0.016 1 680 118 118 ASP HA H 5.029 0.05 1 681 118 118 ASP C C 174.450 0.2 1 682 118 118 ASP CA C 52.693 0.2 1 683 118 118 ASP CB C 45.878 0.2 1 684 118 118 ASP N N 122.406 0.2 1 685 119 119 LEU H H 9.220 0.0 1 686 119 119 LEU C C 175.941 0.2 1 687 119 119 LEU CA C 53.229 0.2 1 688 119 119 LEU CB C 43.711 0.2 1 689 119 119 LEU CG C 27.427 0.2 1 690 119 119 LEU N N 121.848 0.081 1 691 120 120 VAL H H 9.387 0.022 1 692 120 120 VAL HA H 4.488 0.05 1 693 120 120 VAL C C 175.196 0.2 1 694 120 120 VAL CA C 60.247 0.2 1 695 120 120 VAL CB C 33.543 0.2 1 696 120 120 VAL CG1 C 21.066 0.2 1 697 120 120 VAL CG2 C 21.066 0.2 1 698 120 120 VAL N N 127.983 0.043 1 699 121 121 LEU H H 9.038 0.024 1 700 121 121 LEU C C 177.046 0.2 1 701 121 121 LEU CA C 52.294 0.2 1 702 121 121 LEU CB C 46.003 0.2 1 703 121 121 LEU CG C 25.874 0.2 1 704 121 121 LEU N N 128.634 0.148 1 705 122 122 VAL H H 9.103 0.018 1 706 122 122 VAL C C 174.721 0.2 1 707 122 122 VAL CA C 60.976 0.2 1 708 122 122 VAL CB C 32.618 0.2 1 709 122 122 VAL CG1 C 20.870 0.2 1 710 122 122 VAL CG2 C 20.870 0.2 1 711 122 122 VAL N N 131.024 0.088 1 712 123 123 LYS H H 8.478 0.02 1 713 123 123 LYS HA H 4.312 0.05 1 714 123 123 LYS C C 174.447 0.2 1 715 123 123 LYS CA C 54.903 0.2 1 716 123 123 LYS CB C 35.639 0.2 1 717 123 123 LYS CG C 24.869 0.2 1 718 123 123 LYS CD C 28.547 0.2 1 719 123 123 LYS CE C 39.994 0.2 1 720 123 123 LYS N N 126.792 0.184 1 721 124 124 ARG H H 8.575 0.02 1 722 124 124 ARG HA H 4.836 0.05 1 723 124 124 ARG C C 175.244 0.2 1 724 124 124 ARG CA C 54.352 0.2 1 725 124 124 ARG CB C 30.752 0.2 1 726 124 124 ARG CG C 27.821 0.2 1 727 124 124 ARG CD C 42.425 0.2 1 728 124 124 ARG N N 129.302 0.143 1 729 125 125 TYR H H 8.783 0.007 1 730 125 125 TYR HA H 4.588 0.05 1 731 125 125 TYR C C 177.925 0.2 1 732 125 125 TYR CA C 57.716 0.2 1 733 125 125 TYR CB C 40.828 0.2 1 734 125 125 TYR N N 122.579 0.073 1 735 126 126 GLU H H 9.231 0.013 1 736 126 126 GLU C C 176.531 0.2 1 737 126 126 GLU CA C 58.635 0.2 1 738 126 126 GLU CB C 28.380 0.2 1 739 126 126 GLU CG C 36.022 0.2 1 740 126 126 GLU N N 121.220 0.161 1 741 127 127 ASP H H 8.072 0.018 1 742 127 127 ASP HA H 4.353 0.05 1 743 127 127 ASP C C 175.924 0.2 1 744 127 127 ASP CA C 53.489 0.2 1 745 127 127 ASP CB C 39.091 0.2 1 746 127 127 ASP N N 116.636 0.161 1 747 128 128 GLY H H 7.966 0.016 1 748 128 128 GLY HA2 H 4.304 0.006 1 749 128 128 GLY HA3 H 4.304 0.006 1 750 128 128 GLY C C 173.562 0.2 1 751 128 128 GLY CA C 43.760 0.2 1 752 128 128 GLY N N 107.968 0.076 1 753 129 129 THR H H 7.878 0.008 1 754 129 129 THR HA H 4.510 0.05 1 755 129 129 THR C C 173.464 0.2 1 756 129 129 THR CA C 64.328 0.2 1 757 129 129 THR CB C 68.527 0.2 1 758 129 129 THR CG2 C 21.898 0.2 1 759 129 129 THR N N 117.323 0.127 1 760 130 130 ILE H H 8.487 0.017 1 761 130 130 ILE HA H 4.310 0.05 1 762 130 130 ILE C C 172.997 0.2 1 763 130 130 ILE CA C 60.185 0.2 1 764 130 130 ILE CB C 40.461 0.2 1 765 130 130 ILE CG1 C 27.849 0.2 1 766 130 130 ILE CD1 C 15.107 0.2 1 767 130 130 ILE N N 125.743 0.144 1 768 131 131 SER H H 7.916 0.012 1 769 131 131 SER C C 172.375 0.2 1 770 131 131 SER CA C 55.136 0.2 1 771 131 131 SER CB C 68.619 0.2 1 772 131 131 SER N N 119.924 0.161 1 773 132 132 SER H H 8.797 0.015 1 774 132 132 SER HA H 5.174 0.05 1 775 132 132 SER C C 173.317 0.2 1 776 132 132 SER CA C 55.569 0.2 1 777 132 132 SER CB C 65.189 0.2 1 778 132 132 SER N N 115.630 0.115 1 779 133 133 ASN H H 8.156 0.019 1 780 133 133 ASN C C 173.155 0.2 1 781 133 133 ASN CA C 52.432 0.2 1 782 133 133 ASN CB C 41.671 0.2 1 783 133 133 ASN N N 119.363 0.214 1 784 134 134 ALA H H 9.733 0.019 1 785 134 134 ALA HA H 5.903 0.05 1 786 134 134 ALA C C 175.121 0.2 1 787 134 134 ALA CA C 50.058 0.2 1 788 134 134 ALA CB C 23.205 0.2 1 789 134 134 ALA N N 128.826 0.127 1 790 135 135 THR H H 7.748 0.013 1 791 135 135 THR HA H 4.001 0.05 1 792 135 135 THR C C 171.059 0.2 1 793 135 135 THR CA C 60.287 0.2 1 794 135 135 THR CB C 70.313 0.2 1 795 135 135 THR N N 110.113 0.147 1 796 136 136 HIS H H 8.436 0.018 1 797 136 136 HIS HA H 4.639 0.05 1 798 136 136 HIS C C 174.019 0.2 1 799 136 136 HIS CA C 55.981 0.2 1 800 136 136 HIS CB C 29.958 0.2 1 801 136 136 HIS N N 122.746 0.238 1 802 137 137 VAL H H 8.509 0.017 1 803 137 137 VAL HA H 4.308 0.05 1 804 137 137 VAL C C 174.047 0.2 1 805 137 137 VAL CA C 59.583 0.2 1 806 137 137 VAL CB C 35.347 0.2 1 807 137 137 VAL CG1 C 22.901 0.2 2 808 137 137 VAL CG2 C 20.249 0.2 2 809 137 137 VAL N N 115.613 0.197 1 810 138 138 GLU H H 8.010 0.003 1 811 138 138 GLU HA H 4.541 0.05 1 812 138 138 GLU C C 175.458 0.2 1 813 138 138 GLU CA C 55.608 0.2 1 814 138 138 GLU CB C 29.296 0.2 1 815 138 138 GLU CG C 37.580 0.2 1 816 138 138 GLU N N 125.040 0.005 1 817 139 139 HIS H H 8.903 0.002 1 818 139 139 HIS HA H 4.645 0.05 1 819 139 139 HIS CA C 54.625 0.2 1 820 139 139 HIS CB C 34.984 0.2 1 821 139 139 HIS N N 125.739 0.029 1 822 140 140 PRO C C 177.965 0.2 1 823 140 140 PRO CA C 63.808 0.2 1 824 140 140 PRO CB C 31.859 0.2 1 825 140 140 PRO CG C 26.312 0.2 1 826 140 140 PRO CD C 50.718 0.2 1 827 141 141 LEU H H 10.195 0.014 1 828 141 141 LEU HA H 4.424 0.05 1 829 141 141 LEU C C 178.561 0.2 1 830 141 141 LEU CA C 54.426 0.2 1 831 141 141 LEU CB C 40.212 0.2 1 832 141 141 LEU N N 117.994 0.119 1 833 142 142 CYS H H 8.365 0.003 1 834 142 142 CYS HA H 4.669 0.05 1 835 142 142 CYS CA C 57.468 0.2 1 836 142 142 CYS CB C 27.634 0.2 1 837 142 142 CYS N N 119.750 0.029 1 838 144 144 PRO C C 175.631 0.2 1 839 144 144 PRO CA C 63.712 0.2 1 840 144 144 PRO CB C 30.925 0.2 1 841 144 144 PRO CG C 28.228 0.2 1 842 145 145 LYS H H 9.866 0.016 1 843 145 145 LYS HA H 4.141 0.05 1 844 145 145 LYS CA C 51.870 0.2 1 845 145 145 LYS CB C 34.057 0.2 1 846 145 145 LYS N N 127.623 0.133 1 847 146 146 PRO C C 177.539 0.2 1 848 146 146 PRO CA C 63.221 0.2 1 849 146 146 PRO CB C 30.939 0.2 1 850 147 147 GLY H H 8.548 0.016 1 851 147 147 GLY HA3 H 3.981 0.05 1 852 147 147 GLY C C 173.343 0.2 1 853 147 147 GLY CA C 44.153 0.2 1 854 147 147 GLY N N 110.627 0.109 1 855 148 148 PHE H H 7.751 0.015 1 856 148 148 PHE HA H 4.251 0.05 1 857 148 148 PHE C C 175.709 0.2 1 858 148 148 PHE CA C 56.710 0.2 1 859 148 148 PHE CB C 41.723 0.2 1 860 148 148 PHE N N 117.543 0.105 1 861 149 149 VAL H H 8.335 0.016 1 862 149 149 VAL HA H 4.475 0.05 1 863 149 149 VAL C C 174.496 0.2 1 864 149 149 VAL CA C 61.854 0.2 1 865 149 149 VAL CB C 31.969 0.2 1 866 149 149 VAL CG1 C 20.890 0.2 1 867 149 149 VAL CG2 C 20.890 0.2 1 868 149 149 VAL N N 126.242 0.176 1 869 150 150 ARG H H 8.213 0.016 1 870 150 150 ARG C C 174.198 0.2 1 871 150 150 ARG CA C 52.751 0.2 1 872 150 150 ARG CB C 25.398 0.2 1 873 150 150 ARG N N 129.871 0.13 1 874 151 151 GLY H H 7.905 0.013 1 875 151 151 GLY C C 172.063 0.2 1 876 151 151 GLY CA C 42.578 0.2 1 877 151 151 GLY N N 116.155 0.147 1 878 152 152 PHE H H 8.759 0.02 1 879 152 152 PHE HA H 4.778 0.05 1 880 152 152 PHE C C 174.007 0.2 1 881 152 152 PHE CA C 56.389 0.2 1 882 152 152 PHE CB C 41.095 0.2 1 883 152 152 PHE N N 111.802 0.085 1 884 153 153 ASN H H 10.543 0.012 1 885 153 153 ASN C C 174.540 0.2 1 886 153 153 ASN CA C 52.798 0.2 1 887 153 153 ASN CB C 37.793 0.2 1 888 153 153 ASN N N 124.914 0.049 1 889 154 154 HIS H H 8.671 0.02 1 890 154 154 HIS HA H 4.787 0.05 1 891 154 154 HIS CA C 55.943 0.2 1 892 154 154 HIS CB C 26.749 0.2 1 893 154 154 HIS N N 126.328 0.136 1 894 155 155 PRO C C 175.764 0.2 1 895 155 155 PRO CA C 65.242 0.2 1 896 156 156 CYS H H 8.879 0.024 1 897 156 156 CYS HA H 4.323 0.05 1 898 156 156 CYS C C 171.945 0.2 1 899 156 156 CYS CA C 57.378 0.2 1 900 156 156 CYS CB C 30.301 0.2 1 901 156 156 CYS N N 117.131 0.185 1 902 157 157 GLY H H 7.876 0.0 1 903 157 157 GLY HA3 H 4.129 0.05 1 904 157 157 GLY C C 173.401 0.2 1 905 157 157 GLY CA C 43.664 0.2 1 906 157 157 GLY N N 103.692 0.167 1 907 158 158 CYS H H 8.300 0.011 1 908 158 158 CYS HA H 5.550 0.05 1 909 158 158 CYS C C 171.872 0.2 1 910 158 158 CYS CA C 56.173 0.2 1 911 158 158 CYS CB C 32.023 0.2 1 912 158 158 CYS N N 116.390 0.093 1 913 159 159 PHE H H 9.704 0.005 1 914 159 159 PHE HA H 4.662 0.05 1 915 159 159 PHE C C 174.450 0.2 1 916 159 159 PHE CA C 56.964 0.2 1 917 159 159 PHE CB C 41.744 0.2 1 918 159 159 PHE N N 117.659 0.114 1 919 160 160 CYS H H 9.214 0.004 1 920 160 160 CYS C C 172.819 0.2 1 921 160 160 CYS CA C 57.615 0.2 1 922 160 160 CYS CB C 28.020 0.2 1 923 160 160 CYS N N 121.581 0.122 1 924 161 161 GLU H H 9.140 0.021 1 925 161 161 GLU HA H 5.005 0.05 1 926 161 161 GLU CA C 51.838 0.2 1 927 161 161 GLU CB C 30.969 0.2 1 928 161 161 GLU N N 122.913 0.218 1 929 162 162 PRO C C 176.267 0.2 1 930 162 162 PRO CA C 61.509 0.2 1 931 162 162 PRO CB C 31.725 0.2 1 932 162 162 PRO CG C 26.011 0.2 1 933 163 163 LEU H H 8.901 0.011 1 934 163 163 LEU HA H 4.714 0.05 1 935 163 163 LEU CA C 51.182 0.2 1 936 163 163 LEU CB C 41.902 0.2 1 937 163 163 LEU N N 124.720 0.093 1 938 164 164 PRO C C 178.357 0.2 1 939 164 164 PRO CA C 63.553 0.2 1 940 164 164 PRO CB C 30.951 0.2 1 941 165 165 GLY H H 9.100 0.023 1 942 165 165 GLY C C 173.809 0.2 1 943 165 165 GLY CA C 45.355 0.2 1 944 165 165 GLY N N 115.757 0.168 1 945 166 166 GLU H H 7.502 0.002 1 946 166 166 GLU HA H 4.940 0.05 1 947 166 166 GLU CA C 52.757 0.2 1 948 166 166 GLU CB C 29.951 0.2 1 949 166 166 GLU N N 118.164 0.068 1 950 167 167 PRO C C 177.703 0.2 1 951 167 167 PRO CA C 63.861 0.2 1 952 167 167 PRO CB C 31.826 0.2 1 953 167 167 PRO CG C 26.680 0.2 1 954 167 167 PRO CD C 50.140 0.2 1 955 168 168 THR H H 7.741 0.015 1 956 168 168 THR HA H 4.030 0.05 1 957 168 168 THR C C 172.296 0.2 1 958 168 168 THR CA C 60.446 0.2 1 959 168 168 THR CB C 67.880 0.2 1 960 168 168 THR CG2 C 21.474 0.2 1 961 168 168 THR N N 107.001 0.076 1 962 169 169 LYS H H 7.285 0.009 1 963 169 169 LYS HA H 4.804 0.05 1 964 169 169 LYS C C 173.957 0.2 1 965 169 169 LYS CA C 55.143 0.2 1 966 169 169 LYS CB C 36.930 0.2 1 967 169 169 LYS CG C 25.126 0.2 1 968 169 169 LYS CD C 29.344 0.2 1 969 169 169 LYS CE C 41.654 0.2 1 970 169 169 LYS N N 119.122 0.135 1 971 170 170 THR H H 8.594 0.011 1 972 170 170 THR HA H 4.435 0.05 1 973 170 170 THR C C 173.138 0.2 1 974 170 170 THR CA C 61.657 0.2 1 975 170 170 THR CB C 72.635 0.2 1 976 170 170 THR CG2 C 20.652 0.2 1 977 170 170 THR N N 116.214 0.155 1 978 171 171 ASN H H 9.146 0.019 1 979 171 171 ASN HA H 4.963 0.05 1 980 171 171 ASN C C 172.776 0.2 1 981 171 171 ASN CA C 53.224 0.2 1 982 171 171 ASN CB C 40.262 0.2 1 983 171 171 ASN N N 125.789 0.14 1 984 172 172 LEU H H 8.644 0.016 1 985 172 172 LEU HA H 5.541 0.05 1 986 172 172 LEU C C 177.122 0.2 1 987 172 172 LEU CA C 52.922 0.2 1 988 172 172 LEU CB C 44.344 0.2 1 989 172 172 LEU CG C 27.169 0.2 1 990 172 172 LEU N N 128.481 0.102 1 991 173 173 VAL H H 9.260 0.01 1 992 173 173 VAL HA H 5.172 0.05 1 993 173 173 VAL C C 174.717 0.2 1 994 173 173 VAL CA C 60.365 0.2 1 995 173 173 VAL CB C 33.510 0.2 1 996 173 173 VAL CG1 C 20.881 0.2 1 997 173 173 VAL CG2 C 20.881 0.2 1 998 173 173 VAL N N 134.810 0.148 1 999 174 174 THR H H 8.982 0.001 1 1000 174 174 THR C C 172.321 0.2 1 1001 174 174 THR CA C 60.984 0.2 1 1002 174 174 THR CB C 71.012 0.2 1 1003 174 174 THR CG2 C 21.897 0.2 1 1004 174 174 THR N N 123.115 0.103 1 1005 175 175 PHE H H 9.117 0.01 1 1006 175 175 PHE HA H 5.306 0.05 1 1007 175 175 PHE C C 176.312 0.2 1 1008 175 175 PHE CA C 56.746 0.2 1 1009 175 175 PHE CB C 41.451 0.2 1 1010 175 175 PHE N N 121.124 0.155 1 1011 176 176 PHE H H 8.943 0.015 1 1012 176 176 PHE C C 174.100 0.2 1 1013 176 176 PHE CA C 53.379 0.2 1 1014 176 176 PHE CB C 38.821 0.2 1 1015 176 176 PHE N N 123.608 0.136 1 1016 177 177 HIS H H 8.845 0.012 1 1017 177 177 HIS C C 173.321 0.2 1 1018 177 177 HIS CA C 52.572 0.2 1 1019 177 177 HIS CB C 32.541 0.2 1 1020 177 177 HIS N N 129.035 0.137 1 1021 178 178 THR H H 9.142 0.017 1 1022 178 178 THR HA H 4.514 0.05 1 1023 178 178 THR C C 173.389 0.2 1 1024 178 178 THR CA C 64.075 0.2 1 1025 178 178 THR CB C 72.481 0.2 1 1026 178 178 THR N N 119.843 0.079 1 1027 179 179 ASP H H 8.890 0.008 1 1028 179 179 ASP HA H 4.664 0.05 1 1029 179 179 ASP C C 175.904 0.2 1 1030 179 179 ASP CA C 51.797 0.2 1 1031 179 179 ASP CB C 41.053 0.2 1 1032 179 179 ASP N N 125.736 0.068 1 1033 180 180 LEU H H 9.057 0.002 1 1034 180 180 LEU HA H 4.990 0.05 1 1035 180 180 LEU C C 177.132 0.2 1 1036 180 180 LEU CA C 55.853 0.2 1 1037 180 180 LEU CB C 41.333 0.2 1 1038 180 180 LEU CG C 25.840 0.2 1 1039 180 180 LEU CD1 C 25.840 0.2 1 1040 180 180 LEU CD2 C 25.840 0.2 1 1041 180 180 LEU N N 125.537 0.027 1 1042 181 181 SER H H 8.537 0.011 1 1043 181 181 SER HA H 4.147 0.05 1 1044 181 181 SER C C 175.041 0.2 1 1045 181 181 SER CA C 57.807 0.2 1 1046 181 181 SER CB C 62.690 0.2 1 1047 181 181 SER N N 109.902 0.165 1 1048 182 182 GLY H H 8.203 0.01 1 1049 182 182 GLY HA2 H 3.620 0.05 1 1050 182 182 GLY HA3 H 3.620 0.05 1 1051 182 182 GLY C C 173.166 0.2 1 1052 182 182 GLY CA C 45.231 0.2 1 1053 182 182 GLY N N 107.279 0.109 1 1054 183 183 TYR H H 8.190 0.001 1 1055 183 183 TYR C C 174.983 0.2 1 1056 183 183 TYR CA C 57.082 0.2 1 1057 183 183 TYR CB C 37.660 0.2 1 1058 183 183 TYR N N 120.224 0.066 1 1059 184 184 LEU H H 7.784 0.017 1 1060 184 184 LEU CA C 51.679 0.2 1 1061 184 184 LEU CB C 43.524 0.2 1 1062 184 184 LEU N N 125.198 0.199 1 1063 185 185 PRO C C 178.178 0.2 1 1064 185 185 PRO CA C 61.740 0.2 1 1065 185 185 PRO CB C 31.337 0.2 1 1066 186 186 GLN H H 8.809 0.027 1 1067 186 186 GLN C C 176.956 0.2 1 1068 186 186 GLN CA C 58.316 0.2 1 1069 186 186 GLN CB C 27.766 0.2 1 1070 186 186 GLN CG C 32.740 0.2 1 1071 186 186 GLN N N 125.548 0.21 1 1072 187 187 ASN H H 8.633 0.005 1 1073 187 187 ASN C C 177.706 0.2 1 1074 187 187 ASN CA C 55.657 0.2 1 1075 187 187 ASN CB C 36.580 0.2 1 1076 187 187 ASN N N 112.869 0.102 1 1077 188 188 VAL H H 7.126 0.013 1 1078 188 188 VAL HA H 3.440 0.05 1 1079 188 188 VAL C C 177.706 0.2 1 1080 188 188 VAL CA C 64.877 0.021 1 1081 188 188 VAL CB C 31.529 0.2 1 1082 188 188 VAL CG1 C 21.306 0.2 1 1083 188 188 VAL CG2 C 21.306 0.2 1 1084 188 188 VAL N N 120.624 0.113 1 1085 189 189 VAL H H 7.133 0.013 1 1086 189 189 VAL HA H 3.440 0.05 1 1087 189 189 VAL C C 177.268 0.2 1 1088 189 189 VAL CA C 66.802 0.2 1 1089 189 189 VAL CB C 31.529 0.2 1 1090 189 189 VAL CG1 C 22.470 0.2 1 1091 189 189 VAL CG2 C 22.470 0.2 1 1092 189 189 VAL N N 120.604 0.096 1 1093 190 190 ASP H H 8.514 0.022 1 1094 190 190 ASP HA H 4.316 0.05 1 1095 190 190 ASP C C 178.535 0.2 1 1096 190 190 ASP CA C 56.076 0.2 1 1097 190 190 ASP CB C 39.498 0.2 1 1098 190 190 ASP N N 116.481 0.162 1 1099 191 191 SER H H 7.240 0.021 1 1100 191 191 SER HA H 4.422 0.05 1 1101 191 191 SER C C 175.694 0.2 1 1102 191 191 SER CA C 59.346 0.2 1 1103 191 191 SER CB C 63.302 0.2 1 1104 191 191 SER N N 110.898 0.157 1 1105 192 192 PHE H H 7.858 0.011 1 1106 192 192 PHE HA H 4.163 0.05 1 1107 192 192 PHE CA C 60.011 0.2 1 1108 192 192 PHE CB C 39.259 0.2 1 1109 192 192 PHE N N 123.017 0.172 1 1110 194 194 PRO C C 178.164 0.2 1 1111 194 194 PRO CA C 65.929 0.2 1 1112 194 194 PRO CB C 29.367 0.2 1 1113 194 194 PRO CG C 26.781 0.2 1 1114 194 194 PRO CD C 53.221 0.2 1 1115 195 195 ARG H H 6.524 0.023 1 1116 195 195 ARG C C 178.003 0.2 1 1117 195 195 ARG CA C 58.457 0.2 1 1118 195 195 ARG CB C 29.367 0.2 1 1119 195 195 ARG CG C 27.514 0.2 1 1120 195 195 ARG CD C 42.799 0.2 1 1121 195 195 ARG N N 116.108 0.112 1 1122 196 196 SER H H 8.207 0.011 1 1123 196 196 SER HA H 4.034 0.05 1 1124 196 196 SER C C 177.496 0.2 1 1125 196 196 SER CA C 60.292 0.2 1 1126 196 196 SER CB C 61.921 0.2 1 1127 196 196 SER N N 115.177 0.15 1 1128 197 197 MET H H 8.221 0.005 1 1129 197 197 MET HA H 4.151 0.05 1 1130 197 197 MET C C 177.853 0.2 1 1131 197 197 MET CA C 58.528 0.2 1 1132 197 197 MET CB C 30.960 0.2 1 1133 197 197 MET N N 121.250 0.1 1 1134 198 198 THR H H 7.978 0.012 1 1135 198 198 THR C C 178.015 0.2 1 1136 198 198 THR CA C 66.226 0.2 1 1137 198 198 THR CB C 67.750 0.2 1 1138 198 198 THR CG2 C 21.695 0.2 1 1139 198 198 THR N N 112.444 0.122 1 1140 199 199 ARG H H 8.137 0.003 1 1141 199 199 ARG C C 176.928 0.2 1 1142 199 199 ARG CA C 58.657 0.2 1 1143 199 199 ARG CB C 29.235 0.2 1 1144 199 199 ARG CG C 27.033 0.2 1 1145 199 199 ARG CD C 42.380 0.2 1 1146 199 199 ARG N N 122.983 0.015 1 1147 200 200 PHE H H 8.185 0.002 1 1148 200 200 PHE HA H 4.149 0.05 1 1149 200 200 PHE C C 176.740 0.2 1 1150 200 200 PHE CA C 60.938 0.2 1 1151 200 200 PHE CB C 38.535 0.2 1 1152 200 200 PHE N N 122.188 0.095 1 1153 201 201 TYR H H 7.698 0.001 1 1154 201 201 TYR HA H 4.159 0.05 1 1155 201 201 TYR C C 178.348 0.2 1 1156 201 201 TYR CA C 62.644 0.2 1 1157 201 201 TYR CB C 38.529 0.2 1 1158 201 201 TYR N N 116.329 0.054 1 1159 202 202 ALA H H 7.774 0.02 1 1160 202 202 ALA HA H 4.095 0.05 1 1161 202 202 ALA C C 181.033 0.2 1 1162 202 202 ALA CA C 54.938 0.2 1 1163 202 202 ALA CB C 17.814 0.2 1 1164 202 202 ALA N N 121.494 0.184 1 1165 203 203 ASN H H 9.023 0.02 1 1166 203 203 ASN HA H 4.490 0.05 1 1167 203 203 ASN CA C 54.774 0.2 1 1168 203 203 ASN CB C 37.295 0.2 1 1169 203 203 ASN N N 118.032 0.123 1 1170 204 204 LEU C C 177.498 0.2 1 1171 204 204 LEU CA C 56.816 0.2 1 1172 204 204 LEU CB C 39.342 0.2 1 1173 204 204 LEU CG C 27.341 0.2 1 1174 204 204 LEU CD1 C 22.884 0.2 1 1175 204 204 LEU CD2 C 22.884 0.2 1 1176 205 205 GLN H H 7.808 0.003 1 1177 205 205 GLN HA H 4.265 0.05 1 1178 205 205 GLN C C 179.089 0.2 1 1179 205 205 GLN CA C 57.375 0.2 1 1180 205 205 GLN CB C 28.455 0.2 1 1181 205 205 GLN CG C 33.468 0.2 1 1182 205 205 GLN N N 116.363 0.047 1 1183 206 206 LYS H H 7.106 0.012 1 1184 206 206 LYS HA H 3.892 0.05 1 1185 206 206 LYS C C 177.972 0.2 1 1186 206 206 LYS CA C 58.507 0.2 1 1187 206 206 LYS CB C 31.768 0.2 1 1188 206 206 LYS CG C 24.693 0.2 1 1189 206 206 LYS CD C 28.789 0.2 1 1190 206 206 LYS CE C 41.749 0.2 1 1191 206 206 LYS N N 117.564 0.14 1 1192 207 207 ALA H H 7.652 0.027 1 1193 207 207 ALA HA H 3.791 0.05 1 1194 207 207 ALA C C 179.399 0.2 1 1195 207 207 ALA CA C 54.326 0.2 1 1196 207 207 ALA CB C 17.472 0.2 1 1197 207 207 ALA N N 123.592 0.122 1 1198 208 208 VAL H H 8.222 0.021 1 1199 208 208 VAL HA H 3.433 0.05 1 1200 208 208 VAL C C 177.960 0.2 1 1201 208 208 VAL CA C 65.286 0.2 1 1202 208 208 VAL CB C 31.205 0.2 1 1203 208 208 VAL CG1 C 21.601 0.2 1 1204 208 208 VAL CG2 C 21.601 0.2 1 1205 208 208 VAL N N 116.923 0.094 1 1206 209 209 LYS H H 6.948 0.004 1 1207 209 209 LYS HA H 3.933 0.05 1 1208 209 209 LYS C C 178.306 0.2 1 1209 209 209 LYS CA C 58.281 0.2 1 1210 209 209 LYS CB C 31.624 0.2 1 1211 209 209 LYS CG C 24.852 0.2 1 1212 209 209 LYS CD C 28.545 0.2 1 1213 209 209 LYS CE C 41.771 0.2 1 1214 209 209 LYS N N 117.959 0.109 1 1215 210 210 GLN H H 7.755 0.018 1 1216 210 210 GLN HA H 3.970 0.05 1 1217 210 210 GLN C C 178.022 0.2 1 1218 210 210 GLN CA C 57.625 0.2 1 1219 210 210 GLN CB C 27.883 0.2 1 1220 210 210 GLN CG C 33.456 0.2 1 1221 210 210 GLN N N 118.291 0.14 1 1222 211 211 PHE H H 8.041 0.001 1 1223 211 211 PHE HA H 4.358 0.05 1 1224 211 211 PHE C C 176.355 0.2 1 1225 211 211 PHE CA C 58.294 0.2 1 1226 211 211 PHE CB C 38.419 0.2 1 1227 211 211 PHE N N 116.285 0.019 1 1228 212 212 HIS H H 7.645 0.008 1 1229 212 212 HIS HA H 4.131 0.05 1 1230 212 212 HIS C C 175.444 0.2 1 1231 212 212 HIS CA C 57.101 0.2 1 1232 212 212 HIS CB C 28.953 0.2 1 1233 212 212 HIS N N 117.446 0.062 1 1234 213 213 GLU H H 7.952 0.026 1 1235 213 213 GLU HA H 3.984 0.05 1 1236 213 213 GLU C C 176.564 0.2 1 1237 213 213 GLU CA C 56.924 0.2 1 1238 213 213 GLU CB C 29.186 0.2 1 1239 213 213 GLU N N 119.706 0.22 1 stop_ save_