data_25712 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the dehydroascorbate reductase 3A from Populus trichocarpa ; _BMRB_accession_number 25712 _BMRB_flat_file_name bmr25712.str _Entry_type original _Submission_date 2015-07-15 _Accession_date 2015-07-15 _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 Roret Thomas . . 2 Tsan Pascale . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 925 "13C chemical shifts" 542 "15N chemical shifts" 207 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-03-14 original BMRB . stop_ _Original_release_date 2016-03-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Biochemical and structural characterization of dehydroascorbate reductases from poplar (Populus trichocarpa), enzymes contributing to the maintenance of the ascorbate pool in plants ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26699905 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lallement Pierre-Alexandre . . 2 Roret Thomas . . 3 Tsan Pascale . . 4 'M. Gualberto' Jose . . 5 Girardet Jean-Michel . . 6 Didierjean Claude . . 7 Rouhier Nicolas . . 8 Hecker Arnaud . . stop_ _Journal_abbreviation 'Biochem. J.' _Journal_volume 473 _Journal_issue 6 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 717 _Page_last 731 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'dehydroascorbate reductase 3A from Populus trichocarpa' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $Pt-DHAR3A stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Pt-DHAR3A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Pt-DHAR3A _Molecular_mass 23535.525 _Mol_thiol_state 'disulfide bound and free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 217 _Mol_residue_sequence ; MALEICVKAAVGAPNILGDC PFCQRVLLSLEEKKIPYKSH LINLGDKPQWFLEISPEGKV PVVKIDDKWVADSDVIVGIL EEKNPEPPLATPPEFASVGS KIFPSFVKFLKSKDPNDGTE QALLEELKALDGHLKVHGPF IAGEKITAVDLSLAPKLYHL EVALGHFKNWPIPDNLTHVL NYIKLLFSRESFKKTRAAEE HVIAGWEPKVNAHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 LEU 4 GLU 5 ILE 6 CYS 7 VAL 8 LYS 9 ALA 10 ALA 11 VAL 12 GLY 13 ALA 14 PRO 15 ASN 16 ILE 17 LEU 18 GLY 19 ASP 20 CYS 21 PRO 22 PHE 23 CYS 24 GLN 25 ARG 26 VAL 27 LEU 28 LEU 29 SER 30 LEU 31 GLU 32 GLU 33 LYS 34 LYS 35 ILE 36 PRO 37 TYR 38 LYS 39 SER 40 HIS 41 LEU 42 ILE 43 ASN 44 LEU 45 GLY 46 ASP 47 LYS 48 PRO 49 GLN 50 TRP 51 PHE 52 LEU 53 GLU 54 ILE 55 SER 56 PRO 57 GLU 58 GLY 59 LYS 60 VAL 61 PRO 62 VAL 63 VAL 64 LYS 65 ILE 66 ASP 67 ASP 68 LYS 69 TRP 70 VAL 71 ALA 72 ASP 73 SER 74 ASP 75 VAL 76 ILE 77 VAL 78 GLY 79 ILE 80 LEU 81 GLU 82 GLU 83 LYS 84 ASN 85 PRO 86 GLU 87 PRO 88 PRO 89 LEU 90 ALA 91 THR 92 PRO 93 PRO 94 GLU 95 PHE 96 ALA 97 SER 98 VAL 99 GLY 100 SER 101 LYS 102 ILE 103 PHE 104 PRO 105 SER 106 PHE 107 VAL 108 LYS 109 PHE 110 LEU 111 LYS 112 SER 113 LYS 114 ASP 115 PRO 116 ASN 117 ASP 118 GLY 119 THR 120 GLU 121 GLN 122 ALA 123 LEU 124 LEU 125 GLU 126 GLU 127 LEU 128 LYS 129 ALA 130 LEU 131 ASP 132 GLY 133 HIS 134 LEU 135 LYS 136 VAL 137 HIS 138 GLY 139 PRO 140 PHE 141 ILE 142 ALA 143 GLY 144 GLU 145 LYS 146 ILE 147 THR 148 ALA 149 VAL 150 ASP 151 LEU 152 SER 153 LEU 154 ALA 155 PRO 156 LYS 157 LEU 158 TYR 159 HIS 160 LEU 161 GLU 162 VAL 163 ALA 164 LEU 165 GLY 166 HIS 167 PHE 168 LYS 169 ASN 170 TRP 171 PRO 172 ILE 173 PRO 174 ASP 175 ASN 176 LEU 177 THR 178 HIS 179 VAL 180 LEU 181 ASN 182 TYR 183 ILE 184 LYS 185 LEU 186 LEU 187 PHE 188 SER 189 ARG 190 GLU 191 SER 192 PHE 193 LYS 194 LYS 195 THR 196 ARG 197 ALA 198 ALA 199 GLU 200 GLU 201 HIS 202 VAL 203 ILE 204 ALA 205 GLY 206 TRP 207 GLU 208 PRO 209 LYS 210 VAL 211 ASN 212 ALA 213 HIS 214 HIS 215 HIS 216 HIS 217 HIS 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 $Pt-DHAR3A 'black cottonwood' 3694 Eukaryota Viridiplantae Populus trichocarpa 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 $Pt-DHAR3A 'recombinant technology' . Escherichia coli . pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Pt-DHAR3A . mM 0.7 1.3 '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 50 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Saveframe_category software _Name ARIA _Version 'v 2.3' loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 'v 1.21' loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 'v 2.4' loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CcpNMR _Saveframe_category software _Name CcpNMR _Version 'v 2.4.1' loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HCACO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 6 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HA H 4.701 0.003 1 2 2 2 ALA HA H 3.848 0.024 1 3 2 2 ALA C C 173.222 0.007 1 4 2 2 ALA CA C 51.367 0.044 1 5 2 2 ALA CB C 17.444 0.000 1 6 3 3 LEU H H 8.213 0.019 1 7 3 3 LEU HA H 4.444 0.018 1 8 3 3 LEU HB2 H 1.596 0.018 2 9 3 3 LEU HB3 H 1.206 0.018 2 10 3 3 LEU HG H 0.951 0.019 1 11 3 3 LEU HD1 H 1.210 0.002 1 12 3 3 LEU C C 175.857 0.007 1 13 3 3 LEU CA C 55.803 0.076 1 14 3 3 LEU CB C 42.463 0.000 1 15 3 3 LEU N N 122.319 0.086 1 16 4 4 GLU H H 7.559 0.015 1 17 4 4 GLU HA H 5.388 0.016 1 18 4 4 GLU HB2 H 1.864 0.018 2 19 4 4 GLU HB3 H 2.175 0.000 2 20 4 4 GLU HG2 H 2.332 0.005 1 21 4 4 GLU C C 174.434 0.010 1 22 4 4 GLU CA C 54.926 0.060 1 23 4 4 GLU CB C 33.875 0.000 1 24 4 4 GLU N N 122.191 0.079 1 25 5 5 ILE H H 8.926 0.024 1 26 5 5 ILE HA H 5.698 0.015 1 27 5 5 ILE HB H 2.163 0.018 1 28 5 5 ILE HG2 H 0.753 0.023 1 29 5 5 ILE C C 173.632 0.001 1 30 5 5 ILE CA C 57.956 0.039 1 31 5 5 ILE CB C 42.474 0.000 1 32 5 5 ILE N N 118.743 0.071 1 33 6 6 CYS H H 9.212 0.020 1 34 6 6 CYS HA H 5.635 0.010 1 35 6 6 CYS C C 174.149 0.002 1 36 6 6 CYS CA C 57.738 0.049 1 37 6 6 CYS CB C 29.415 0.000 1 38 6 6 CYS N N 124.294 0.077 1 39 7 7 VAL H H 8.603 0.024 1 40 7 7 VAL HA H 5.021 0.011 1 41 7 7 VAL HB H 2.375 0.012 1 42 7 7 VAL HG1 H 1.027 0.020 2 43 7 7 VAL HG2 H 0.515 0.025 2 44 7 7 VAL C C 172.892 0.032 1 45 7 7 VAL CA C 58.150 0.028 1 46 7 7 VAL CB C 35.177 0.000 1 47 7 7 VAL N N 112.896 0.111 1 48 8 8 LYS H H 7.056 0.026 1 49 8 8 LYS HA H 4.180 0.012 1 50 8 8 LYS HB2 H 2.072 0.014 1 51 8 8 LYS C C 176.317 0.038 1 52 8 8 LYS CA C 57.123 0.018 1 53 8 8 LYS CB C 33.884 0.000 1 54 8 8 LYS N N 122.147 0.065 1 55 9 9 ALA H H 8.522 0.017 1 56 9 9 ALA HA H 4.375 0.009 1 57 9 9 ALA HB H 1.145 0.020 1 58 9 9 ALA C C 176.185 0.004 1 59 9 9 ALA CA C 50.563 0.015 1 60 9 9 ALA CB C 19.909 0.000 1 61 9 9 ALA N N 131.173 0.061 1 62 10 10 ALA H H 8.300 0.015 1 63 10 10 ALA HA H 3.816 0.015 1 64 10 10 ALA HB H 1.680 0.026 1 65 10 10 ALA C C 175.228 0.001 1 66 10 10 ALA CA C 52.434 0.048 1 67 10 10 ALA CB C 16.315 0.000 1 68 10 10 ALA N N 123.972 0.058 1 69 11 11 VAL H H 8.891 0.021 1 70 11 11 VAL HA H 4.015 0.021 1 71 11 11 VAL HB H 2.686 0.022 1 72 11 11 VAL HG1 H 0.623 0.019 2 73 11 11 VAL HG2 H 0.701 0.025 2 74 11 11 VAL C C 176.595 0.000 1 75 11 11 VAL CA C 65.137 0.097 1 76 11 11 VAL CB C 30.902 0.000 1 77 11 11 VAL N N 126.998 0.126 1 78 12 12 GLY H H 8.724 0.010 1 79 12 12 GLY HA2 H 4.055 0.008 2 80 12 12 GLY HA3 H 3.564 0.018 2 81 12 12 GLY C C 173.856 0.000 1 82 12 12 GLY CA C 44.932 0.006 1 83 12 12 GLY N N 115.319 0.038 1 84 13 13 ALA H H 7.484 0.014 1 85 13 13 ALA HA H 4.606 0.006 1 86 13 13 ALA HB H 0.885 0.007 1 87 13 13 ALA CA C 50.275 0.000 1 88 13 13 ALA N N 122.777 0.026 1 89 14 14 PRO HA H 4.210 0.010 1 90 14 14 PRO HB2 H 2.184 0.024 2 91 14 14 PRO HB3 H 1.809 0.022 2 92 14 14 PRO HG2 H 1.798 0.019 1 93 14 14 PRO HD2 H 3.330 0.034 2 94 14 14 PRO HD3 H 3.481 0.005 2 95 14 14 PRO C C 175.142 0.000 1 96 14 14 PRO CA C 64.241 0.069 1 97 14 14 PRO CB C 32.002 0.000 1 98 15 15 ASN H H 8.118 0.014 1 99 15 15 ASN HA H 4.669 0.038 1 100 15 15 ASN HB2 H 2.697 0.008 2 101 15 15 ASN HB3 H 2.586 0.000 2 102 15 15 ASN HD21 H 6.726 0.025 1 103 15 15 ASN HD22 H 7.566 0.055 1 104 15 15 ASN C C 173.734 0.000 1 105 15 15 ASN CA C 52.463 0.038 1 106 15 15 ASN CB C 38.029 0.000 1 107 15 15 ASN N N 113.015 0.042 1 108 15 15 ASN ND2 N 113.572 0.202 1 109 16 16 ILE H H 8.103 0.014 1 110 16 16 ILE HA H 4.120 0.009 1 111 16 16 ILE HB H 1.638 0.019 1 112 16 16 ILE HG12 H 0.902 0.017 1 113 16 16 ILE HD1 H 0.609 0.028 1 114 16 16 ILE C C 173.791 0.000 1 115 16 16 ILE CA C 59.097 0.032 1 116 16 16 ILE CB C 39.026 0.000 1 117 16 16 ILE N N 123.096 0.034 1 118 17 17 LEU H H 8.164 0.013 1 119 17 17 LEU HA H 3.671 0.015 1 120 17 17 LEU HB2 H 1.877 0.030 1 121 17 17 LEU C C 174.960 0.000 1 122 17 17 LEU CA C 57.165 0.116 1 123 17 17 LEU CB C 42.017 0.000 1 124 17 17 LEU N N 127.361 0.029 1 125 18 18 GLY H H 7.777 0.021 1 126 18 18 GLY C C 171.844 0.000 1 127 18 18 GLY CA C 44.740 0.010 1 128 18 18 GLY N N 111.499 0.047 1 129 19 19 ASP H H 8.337 0.020 1 130 19 19 ASP HA H 4.434 0.024 1 131 19 19 ASP HB2 H 2.847 0.018 1 132 19 19 ASP C C 175.221 0.000 1 133 19 19 ASP CA C 53.177 0.072 1 134 19 19 ASP CB C 43.313 0.000 1 135 19 19 ASP N N 111.392 0.074 1 136 20 20 CYS H H 7.851 0.017 1 137 20 20 CYS HA H 4.515 0.026 1 138 20 20 CYS CA C 58.197 0.000 1 139 20 20 CYS N N 125.162 0.033 1 140 21 21 PRO HA H 4.025 0.019 1 141 21 21 PRO HB2 H 1.657 0.024 2 142 21 21 PRO HB3 H 1.770 0.026 2 143 21 21 PRO C C 178.610 0.000 1 144 21 21 PRO CA C 64.429 0.055 1 145 21 21 PRO CB C 31.806 0.000 1 146 22 22 PHE H H 9.171 0.024 1 147 22 22 PHE HA H 4.170 0.021 1 148 22 22 PHE HB2 H 3.193 0.027 2 149 22 22 PHE HB3 H 3.062 0.033 2 150 22 22 PHE HD1 H 7.280 0.006 1 151 22 22 PHE HD2 H 7.280 0.006 1 152 22 22 PHE HE1 H 7.806 0.021 1 153 22 22 PHE HE2 H 7.806 0.021 1 154 22 22 PHE C C 178.858 0.000 1 155 22 22 PHE CA C 61.118 0.034 1 156 22 22 PHE CB C 37.816 0.000 1 157 22 22 PHE N N 130.369 0.041 1 158 23 23 CYS H H 10.200 0.021 1 159 23 23 CYS HA H 5.487 0.000 1 160 23 23 CYS HB2 H 2.995 0.000 2 161 23 23 CYS HB3 H 3.449 0.011 2 162 23 23 CYS C C 177.495 0.000 1 163 23 23 CYS CA C 64.160 0.030 1 164 23 23 CYS CB C 29.302 0.000 1 165 23 23 CYS N N 126.329 0.054 1 166 24 24 GLN H H 8.490 0.018 1 167 24 24 GLN HA H 4.694 0.005 1 168 24 24 GLN HB2 H 2.311 0.020 1 169 24 24 GLN HG2 H 2.855 0.024 2 170 24 24 GLN HG3 H 2.664 0.008 2 171 24 24 GLN HE21 H 6.726 0.014 1 172 24 24 GLN HE22 H 7.604 0.025 1 173 24 24 GLN C C 180.149 0.000 1 174 24 24 GLN CA C 59.793 0.000 1 175 24 24 GLN N N 119.585 0.071 1 176 24 24 GLN NE2 N 112.899 0.180 1 177 25 25 ARG H H 7.476 0.021 1 178 25 25 ARG HA H 4.289 0.032 1 179 25 25 ARG HB2 H 1.915 0.025 1 180 25 25 ARG HD2 H 3.519 0.025 2 181 25 25 ARG HD3 H 3.265 0.022 2 182 25 25 ARG C C 176.331 0.000 1 183 25 25 ARG N N 118.568 0.120 1 184 26 26 VAL H H 7.165 0.026 1 185 26 26 VAL HA H 3.658 0.007 1 186 26 26 VAL HG1 H 1.163 0.020 2 187 26 26 VAL HG2 H 0.924 0.024 2 188 26 26 VAL C C 176.818 0.000 1 189 26 26 VAL N N 118.806 0.118 1 190 27 27 LEU H H 8.147 0.016 1 191 27 27 LEU HA H 3.688 0.023 1 192 27 27 LEU HB2 H 1.386 0.031 2 193 27 27 LEU HB3 H 1.518 0.024 2 194 27 27 LEU HG H 0.566 0.006 1 195 27 27 LEU HD1 H 0.072 0.003 1 196 27 27 LEU C C 178.651 0.000 1 197 27 27 LEU N N 119.846 0.128 1 198 28 28 LEU H H 9.178 0.011 1 199 28 28 LEU HA H 3.681 0.028 1 200 28 28 LEU HB2 H 2.069 0.023 1 201 28 28 LEU HD1 H 0.659 0.027 1 202 28 28 LEU C C 178.526 0.000 1 203 28 28 LEU N N 117.145 0.115 1 204 29 29 SER H H 7.258 0.016 1 205 29 29 SER HA H 3.757 0.016 1 206 29 29 SER HB2 H 3.190 0.024 1 207 29 29 SER C C 174.586 0.000 1 208 29 29 SER N N 114.735 0.024 1 209 30 30 LEU H H 7.821 0.017 1 210 30 30 LEU HA H 3.102 0.023 1 211 30 30 LEU HB2 H 1.551 0.012 2 212 30 30 LEU HB3 H 1.896 0.021 2 213 30 30 LEU HG H 1.332 0.013 1 214 30 30 LEU HD1 H 1.411 0.023 2 215 30 30 LEU HD2 H 0.009 0.007 2 216 30 30 LEU C C 179.040 0.000 1 217 30 30 LEU N N 120.722 0.185 1 218 31 31 GLU H H 8.321 0.014 1 219 31 31 GLU HA H 4.937 0.005 1 220 31 31 GLU HB2 H 1.750 0.021 2 221 31 31 GLU HB3 H 2.677 0.015 2 222 31 31 GLU HG2 H 2.936 0.018 1 223 31 31 GLU C C 181.549 0.000 1 224 31 31 GLU CA C 58.679 0.000 1 225 31 31 GLU CB C 29.437 0.000 1 226 31 31 GLU N N 115.934 0.194 1 227 32 32 GLU H H 8.709 0.017 1 228 32 32 GLU HA H 3.933 0.015 1 229 32 32 GLU HB2 H 2.422 0.017 2 230 32 32 GLU HB3 H 2.074 0.036 2 231 32 32 GLU C C 178.135 0.000 1 232 32 32 GLU CA C 58.963 0.057 1 233 32 32 GLU CB C 28.669 0.000 1 234 32 32 GLU N N 118.896 0.123 1 235 33 33 LYS H H 7.491 0.022 1 236 33 33 LYS HA H 4.072 0.017 1 237 33 33 LYS HB2 H 1.994 0.002 1 238 33 33 LYS HZ H 6.748 0.028 1 239 33 33 LYS C C 174.459 0.000 1 240 33 33 LYS CA C 56.231 0.004 1 241 33 33 LYS CB C 33.877 0.000 1 242 33 33 LYS N N 114.721 0.050 1 243 34 34 LYS H H 7.663 0.023 1 244 34 34 LYS HA H 3.776 0.008 1 245 34 34 LYS HB2 H 2.011 0.011 2 246 34 34 LYS HB3 H 1.255 0.000 2 247 34 34 LYS HG2 H 1.403 0.000 1 248 34 34 LYS C C 175.711 0.000 1 249 34 34 LYS CA C 56.894 0.102 1 250 34 34 LYS CB C 28.836 0.000 1 251 34 34 LYS N N 116.758 0.120 1 252 35 35 ILE H H 8.080 0.015 1 253 35 35 ILE HA H 4.304 0.010 1 254 35 35 ILE HB H 1.603 0.027 1 255 35 35 ILE HG12 H 0.817 0.024 2 256 35 35 ILE HG13 H 0.524 0.009 2 257 35 35 ILE HG2 H 0.391 0.000 1 258 35 35 ILE HD1 H 0.651 0.014 1 259 35 35 ILE CA C 58.622 0.000 1 260 35 35 ILE N N 122.098 0.067 1 261 36 36 PRO HA H 3.630 0.008 1 262 36 36 PRO HB2 H 2.153 0.011 1 263 36 36 PRO HD2 H 3.488 0.009 1 264 36 36 PRO C C 176.140 0.000 1 265 36 36 PRO CA C 62.719 0.053 1 266 36 36 PRO CB C 32.369 0.000 1 267 37 37 TYR H H 7.800 0.009 1 268 37 37 TYR HA H 5.330 0.006 1 269 37 37 TYR HB2 H 2.449 0.004 2 270 37 37 TYR HB3 H 2.697 0.005 2 271 37 37 TYR HD1 H 6.886 0.020 1 272 37 37 TYR HD2 H 6.886 0.020 1 273 37 37 TYR HE1 H 6.842 0.000 1 274 37 37 TYR HE2 H 6.842 0.000 1 275 37 37 TYR HH H 6.439 0.004 1 276 37 37 TYR C C 173.387 0.000 1 277 37 37 TYR CA C 55.470 0.039 1 278 37 37 TYR CB C 41.591 0.000 1 279 37 37 TYR N N 116.131 0.071 1 280 38 38 LYS H H 8.503 0.019 1 281 38 38 LYS HA H 4.431 0.013 1 282 38 38 LYS HB2 H 1.511 0.020 1 283 38 38 LYS HG2 H 1.042 0.021 1 284 38 38 LYS C C 174.738 0.000 1 285 38 38 LYS CA C 54.361 0.046 1 286 38 38 LYS CB C 34.923 0.000 1 287 38 38 LYS N N 121.946 0.063 1 288 39 39 SER H H 8.582 0.008 1 289 39 39 SER HA H 5.385 0.010 1 290 39 39 SER HB2 H 3.557 0.028 1 291 39 39 SER C C 173.918 0.000 1 292 39 39 SER CA C 56.397 0.032 1 293 39 39 SER N N 120.077 0.026 1 294 40 40 HIS H H 9.181 0.018 1 295 40 40 HIS HA H 4.869 0.017 1 296 40 40 HIS HB2 H 3.088 0.004 1 297 40 40 HIS C C 177.411 0.000 1 298 40 40 HIS CA C 54.135 0.064 1 299 40 40 HIS CB C 31.834 0.000 1 300 40 40 HIS N N 122.433 0.091 1 301 41 41 LEU H H 8.962 0.009 1 302 41 41 LEU HA H 4.212 0.032 1 303 41 41 LEU HB2 H 1.405 0.027 2 304 41 41 LEU HB3 H 1.299 0.016 2 305 41 41 LEU HD1 H 0.652 0.022 1 306 41 41 LEU C C 176.019 0.000 1 307 41 41 LEU CA C 54.091 0.086 1 308 41 41 LEU CB C 41.484 0.000 1 309 41 41 LEU N N 124.941 0.072 1 310 42 42 ILE H H 9.004 0.024 1 311 42 42 ILE HA H 3.872 0.018 1 312 42 42 ILE HB H 1.486 0.019 1 313 42 42 ILE HG12 H 1.891 0.016 1 314 42 42 ILE HD1 H 0.733 0.000 1 315 42 42 ILE C C 174.635 0.000 1 316 42 42 ILE CA C 57.216 0.024 1 317 42 42 ILE CB C 39.117 0.000 1 318 42 42 ILE N N 125.196 0.157 1 319 43 43 ASN H H 8.886 0.017 1 320 43 43 ASN HA H 4.656 0.011 1 321 43 43 ASN HB2 H 2.999 0.007 2 322 43 43 ASN HB3 H 2.501 0.017 2 323 43 43 ASN HD21 H 7.832 0.016 1 324 43 43 ASN HD22 H 6.821 0.010 1 325 43 43 ASN C C 176.253 0.000 1 326 43 43 ASN CA C 50.962 0.074 1 327 43 43 ASN CB C 36.858 0.000 1 328 43 43 ASN N N 127.683 0.103 1 329 43 43 ASN ND2 N 110.312 0.185 1 330 44 44 LEU H H 8.334 0.018 1 331 44 44 LEU HA H 3.699 0.013 1 332 44 44 LEU HB2 H 1.667 0.019 2 333 44 44 LEU HB3 H 0.830 0.028 2 334 44 44 LEU HD1 H 0.958 0.028 1 335 44 44 LEU C C 177.784 0.000 1 336 44 44 LEU CA C 56.673 0.050 1 337 44 44 LEU CB C 40.064 0.000 1 338 44 44 LEU N N 125.852 0.082 1 339 45 45 GLY H H 8.057 0.018 1 340 45 45 GLY HA2 H 3.499 0.007 2 341 45 45 GLY HA3 H 4.106 0.014 2 342 45 45 GLY C C 173.363 0.000 1 343 45 45 GLY CA C 45.032 0.027 1 344 45 45 GLY N N 105.251 0.051 1 345 46 46 ASP H H 7.352 0.019 1 346 46 46 ASP HA H 4.514 0.009 1 347 46 46 ASP HB2 H 2.387 0.018 2 348 46 46 ASP HB3 H 2.238 0.018 2 349 46 46 ASP C C 173.785 0.000 1 350 46 46 ASP CA C 52.786 0.054 1 351 46 46 ASP CB C 39.985 0.000 1 352 46 46 ASP N N 122.673 0.109 1 353 47 47 LYS H H 8.417 0.006 1 354 47 47 LYS HA H 3.955 0.009 1 355 47 47 LYS HB2 H 1.070 0.009 2 356 47 47 LYS HB3 H 1.320 0.016 2 357 47 47 LYS HG2 H 1.613 0.029 1 358 47 47 LYS HE2 H 2.751 0.000 1 359 47 47 LYS CA C 55.241 0.000 1 360 47 47 LYS N N 123.186 0.041 1 361 48 48 PRO HA H 4.450 0.013 1 362 48 48 PRO HB2 H 3.060 0.001 1 363 48 48 PRO C C 177.591 0.000 1 364 48 48 PRO CA C 61.590 0.027 1 365 48 48 PRO CB C 32.544 0.000 1 366 49 49 GLN H H 8.874 0.009 1 367 49 49 GLN HA H 3.692 0.009 1 368 49 49 GLN HB2 H 1.985 0.007 2 369 49 49 GLN HB3 H 2.072 0.021 2 370 49 49 GLN HG2 H 2.269 0.014 1 371 49 49 GLN HE21 H 7.594 0.020 1 372 49 49 GLN HE22 H 6.726 0.016 1 373 49 49 GLN C C 178.311 0.000 1 374 49 49 GLN CA C 59.294 0.051 1 375 49 49 GLN CB C 27.497 0.000 1 376 49 49 GLN N N 123.601 0.034 1 377 49 49 GLN NE2 N 112.046 0.286 1 378 50 50 TRP H H 7.970 0.007 1 379 50 50 TRP HA H 4.132 0.013 1 380 50 50 TRP HB2 H 3.241 0.026 2 381 50 50 TRP HB3 H 3.966 0.007 2 382 50 50 TRP HD1 H 7.458 0.021 1 383 50 50 TRP HE1 H 10.390 0.007 1 384 50 50 TRP HE3 H 7.606 0.030 1 385 50 50 TRP HZ2 H 7.274 0.000 1 386 50 50 TRP HZ3 H 7.110 0.004 1 387 50 50 TRP HH2 H 6.524 0.008 1 388 50 50 TRP CA C 58.508 0.031 1 389 50 50 TRP CB C 26.997 0.000 1 390 50 50 TRP N N 114.994 0.036 1 391 50 50 TRP NE1 N 130.586 0.025 1 392 51 51 PHE H H 5.898 0.015 1 393 51 51 PHE HA H 3.400 0.012 1 394 51 51 PHE HB2 H 3.060 0.001 2 395 51 51 PHE HB3 H 2.835 0.014 2 396 51 51 PHE HD1 H 6.386 0.013 1 397 51 51 PHE HD2 H 6.386 0.013 1 398 51 51 PHE C C 175.345 0.000 1 399 51 51 PHE CA C 59.355 0.028 1 400 51 51 PHE CB C 38.476 0.000 1 401 51 51 PHE N N 122.480 0.033 1 402 52 52 LEU H H 7.023 0.023 1 403 52 52 LEU HA H 3.506 0.012 1 404 52 52 LEU HB2 H 1.517 0.010 2 405 52 52 LEU HB3 H 1.180 0.021 2 406 52 52 LEU HD1 H 0.042 0.023 1 407 52 52 LEU C C 178.694 0.000 1 408 52 52 LEU CA C 55.953 0.049 1 409 52 52 LEU CB C 40.775 0.000 1 410 52 52 LEU N N 120.486 0.041 1 411 53 53 GLU H H 7.178 0.013 1 412 53 53 GLU HA H 3.744 0.008 1 413 53 53 GLU HB2 H 1.825 0.017 2 414 53 53 GLU HB3 H 1.678 0.014 2 415 53 53 GLU C C 177.190 0.000 1 416 53 53 GLU CA C 58.228 0.063 1 417 53 53 GLU CB C 29.441 0.000 1 418 53 53 GLU N N 115.068 0.082 1 419 54 54 ILE H H 6.613 0.022 1 420 54 54 ILE HA H 3.991 0.012 1 421 54 54 ILE HB H 0.930 0.008 1 422 54 54 ILE HG12 H 0.613 0.023 2 423 54 54 ILE HG13 H 1.050 0.013 2 424 54 54 ILE HG2 H 1.177 0.014 1 425 54 54 ILE HD1 H 0.038 0.004 1 426 54 54 ILE C C 176.523 0.000 1 427 54 54 ILE CA C 55.349 0.027 1 428 54 54 ILE CB C 41.426 0.000 1 429 54 54 ILE N N 115.822 0.061 1 430 55 55 SER H H 7.349 0.019 1 431 55 55 SER HA H 4.421 0.020 1 432 55 55 SER HB2 H 2.756 0.007 1 433 55 55 SER CA C 53.131 0.000 1 434 55 55 SER N N 113.054 0.071 1 435 56 56 PRO HA H 4.253 0.000 1 436 56 56 PRO C C 178.505 0.000 1 437 56 56 PRO CA C 64.897 0.077 1 438 56 56 PRO CB C 32.053 0.000 1 439 57 57 GLU H H 8.398 0.014 1 440 57 57 GLU HA H 4.143 0.010 1 441 57 57 GLU HB2 H 1.751 0.019 2 442 57 57 GLU HB3 H 1.446 0.014 2 443 57 57 GLU HG2 H 2.059 0.008 1 444 57 57 GLU C C 177.257 0.000 1 445 57 57 GLU CA C 56.067 0.006 1 446 57 57 GLU CB C 29.651 0.000 1 447 57 57 GLU N N 114.958 0.095 1 448 58 58 GLY H H 8.425 0.023 1 449 58 58 GLY HA2 H 3.266 0.021 2 450 58 58 GLY HA3 H 3.635 0.017 2 451 58 58 GLY C C 173.105 0.000 1 452 58 58 GLY CA C 46.463 0.033 1 453 58 58 GLY N N 109.464 0.081 1 454 59 59 LYS H H 6.747 0.021 1 455 59 59 LYS HA H 4.298 0.010 1 456 59 59 LYS HB2 H 1.337 0.012 2 457 59 59 LYS HB3 H 1.640 0.022 2 458 59 59 LYS HG2 H 1.144 0.003 1 459 59 59 LYS C C 175.997 0.000 1 460 59 59 LYS CA C 56.030 0.046 1 461 59 59 LYS CB C 34.302 0.000 1 462 59 59 LYS N N 117.040 0.086 1 463 60 60 VAL H H 7.883 0.012 1 464 60 60 VAL HA H 4.318 0.009 1 465 60 60 VAL HB H 3.332 0.000 1 466 60 60 VAL HG1 H 0.753 0.022 2 467 60 60 VAL HG2 H 0.580 0.025 2 468 60 60 VAL CA C 58.159 0.000 1 469 60 60 VAL N N 109.975 0.081 1 470 61 61 PRO HA H 5.202 0.009 1 471 61 61 PRO HB2 H 2.585 0.013 2 472 61 61 PRO HB3 H 2.470 0.019 2 473 61 61 PRO C C 175.919 0.000 1 474 61 61 PRO CA C 61.583 0.000 1 475 62 62 VAL H H 7.569 0.032 1 476 62 62 VAL HA H 3.963 0.014 1 477 62 62 VAL HB H 2.321 0.017 1 478 62 62 VAL HG1 H 0.320 0.034 2 479 62 62 VAL HG2 H 0.482 0.021 2 480 62 62 VAL C C 174.919 0.000 1 481 62 62 VAL CA C 60.500 0.095 1 482 62 62 VAL CB C 35.179 0.000 1 483 62 62 VAL N N 113.035 0.187 1 484 63 63 VAL H H 9.122 0.020 1 485 63 63 VAL HA H 5.307 0.008 1 486 63 63 VAL HB H 1.696 0.020 1 487 63 63 VAL HG1 H 0.850 0.029 2 488 63 63 VAL HG2 H 0.429 0.017 2 489 63 63 VAL C C 172.715 0.000 1 490 63 63 VAL CA C 59.545 0.031 1 491 63 63 VAL CB C 35.907 0.000 1 492 63 63 VAL N N 124.000 0.097 1 493 64 64 LYS H H 8.208 0.024 1 494 64 64 LYS HA H 4.067 0.016 1 495 64 64 LYS HB2 H 2.069 0.001 1 496 64 64 LYS HD2 H 1.972 0.004 2 497 64 64 LYS HD3 H 2.095 0.000 2 498 64 64 LYS HE2 H 2.242 0.013 2 499 64 64 LYS HE3 H 3.082 0.020 2 500 64 64 LYS C C 174.781 0.000 1 501 64 64 LYS CA C 54.922 0.083 1 502 64 64 LYS CB C 30.886 0.000 1 503 64 64 LYS N N 130.388 0.070 1 504 65 65 ILE H H 8.626 0.014 1 505 65 65 ILE HA H 4.019 0.011 1 506 65 65 ILE HB H 1.579 0.009 1 507 65 65 ILE HG12 H 0.664 0.018 2 508 65 65 ILE HG13 H 1.033 0.008 2 509 65 65 ILE HD1 H 0.520 0.024 1 510 65 65 ILE C C 174.635 0.000 1 511 65 65 ILE CA C 59.785 0.009 1 512 65 65 ILE CB C 35.970 0.000 1 513 65 65 ILE N N 128.922 0.036 1 514 66 66 ASP H H 8.866 0.011 1 515 66 66 ASP C C 174.467 0.000 1 516 66 66 ASP CA C 56.148 0.008 1 517 66 66 ASP CB C 38.893 0.000 1 518 66 66 ASP N N 127.369 0.272 1 519 67 67 ASP H H 8.434 0.015 1 520 67 67 ASP HA H 4.070 0.018 1 521 67 67 ASP HB2 H 2.664 0.025 2 522 67 67 ASP HB3 H 2.847 0.020 2 523 67 67 ASP C C 174.427 0.000 1 524 67 67 ASP CA C 55.156 0.043 1 525 67 67 ASP CB C 40.421 0.000 1 526 67 67 ASP N N 113.944 0.091 1 527 68 68 LYS H H 7.577 0.017 1 528 68 68 LYS HA H 4.572 0.006 1 529 68 68 LYS HB2 H 1.611 0.024 2 530 68 68 LYS HB3 H 1.320 0.010 2 531 68 68 LYS HG2 H 1.461 0.000 1 532 68 68 LYS HD2 H 2.075 0.010 1 533 68 68 LYS C C 174.040 0.000 1 534 68 68 LYS CA C 54.676 0.022 1 535 68 68 LYS CB C 35.489 0.000 1 536 68 68 LYS N N 119.956 0.034 1 537 69 69 TRP H H 8.687 0.015 1 538 69 69 TRP HA H 4.854 0.014 1 539 69 69 TRP HB2 H 2.906 0.000 2 540 69 69 TRP HB3 H 2.985 0.019 2 541 69 69 TRP HD1 H 7.232 0.008 1 542 69 69 TRP HE1 H 10.293 0.006 1 543 69 69 TRP HE3 H 7.112 0.004 1 544 69 69 TRP HZ2 H 7.336 0.000 1 545 69 69 TRP HZ3 H 7.004 0.000 1 546 69 69 TRP HH2 H 6.882 0.000 1 547 69 69 TRP C C 176.556 0.000 1 548 69 69 TRP CA C 56.882 0.051 1 549 69 69 TRP CB C 28.888 0.000 1 550 69 69 TRP N N 122.853 0.037 1 551 69 69 TRP NE1 N 130.226 0.024 1 552 70 70 VAL H H 9.547 0.016 1 553 70 70 VAL HA H 4.129 0.022 1 554 70 70 VAL HB H 1.862 0.017 1 555 70 70 VAL HG1 H 0.880 0.030 2 556 70 70 VAL HG2 H 1.473 0.026 2 557 70 70 VAL C C 173.745 0.000 1 558 70 70 VAL CA C 62.587 0.053 1 559 70 70 VAL CB C 34.259 0.000 1 560 70 70 VAL N N 127.990 0.059 1 561 71 71 ALA H H 8.255 0.019 1 562 71 71 ALA HA H 4.967 0.008 1 563 71 71 ALA HB H 1.328 0.023 1 564 71 71 ALA C C 176.223 0.000 1 565 71 71 ALA CA C 50.761 0.019 1 566 71 71 ALA CB C 21.705 0.000 1 567 71 71 ALA N N 129.558 0.027 1 568 72 72 ASP H H 7.976 0.009 1 569 72 72 ASP HA H 4.074 0.011 1 570 72 72 ASP HB2 H 3.684 0.007 1 571 72 72 ASP C C 177.047 0.000 1 572 72 72 ASP CA C 56.238 0.019 1 573 72 72 ASP CB C 40.919 0.000 1 574 72 72 ASP N N 111.587 0.087 1 575 73 73 SER H H 9.236 0.008 1 576 73 73 SER HA H 4.703 0.018 1 577 73 73 SER HB2 H 4.557 0.000 2 578 73 73 SER HB3 H 3.812 0.012 2 579 73 73 SER C C 174.737 0.000 1 580 73 73 SER CA C 63.512 0.059 1 581 73 73 SER CB C 29.925 0.000 1 582 73 73 SER N N 121.884 0.080 1 583 74 74 ASP H H 8.115 0.027 1 584 74 74 ASP HA H 4.228 0.010 1 585 74 74 ASP HB2 H 2.756 0.011 2 586 74 74 ASP HB3 H 2.491 0.024 2 587 74 74 ASP C C 178.633 0.000 1 588 74 74 ASP CA C 57.903 0.026 1 589 74 74 ASP CB C 40.768 0.000 1 590 74 74 ASP N N 120.812 0.143 1 591 75 75 VAL H H 7.368 0.023 1 592 75 75 VAL HA H 3.542 0.020 1 593 75 75 VAL HB H 1.845 0.008 1 594 75 75 VAL HG1 H 0.780 0.009 2 595 75 75 VAL HG2 H 0.658 0.013 2 596 75 75 VAL C C 179.590 0.000 1 597 75 75 VAL CA C 65.454 0.050 1 598 75 75 VAL CB C 29.243 0.000 1 599 75 75 VAL N N 122.478 0.144 1 600 76 76 ILE H H 8.717 0.022 1 601 76 76 ILE HA H 3.090 0.000 1 602 76 76 ILE HB H 2.064 0.016 1 603 76 76 ILE C C 177.629 0.000 1 604 76 76 ILE CA C 65.986 0.075 1 605 76 76 ILE CB C 38.893 0.000 1 606 76 76 ILE N N 118.682 0.140 1 607 77 77 VAL H H 7.923 0.018 1 608 77 77 VAL HA H 3.644 0.009 1 609 77 77 VAL HB H 2.210 0.016 1 610 77 77 VAL HG1 H 1.080 0.033 1 611 77 77 VAL C C 178.463 0.000 1 612 77 77 VAL CA C 66.791 0.078 1 613 77 77 VAL CB C 30.486 0.000 1 614 77 77 VAL N N 112.358 0.073 1 615 78 78 GLY H H 7.373 0.021 1 616 78 78 GLY HA2 H 3.884 0.017 2 617 78 78 GLY HA3 H 4.020 0.000 2 618 78 78 GLY C C 176.557 0.000 1 619 78 78 GLY CA C 46.996 0.034 1 620 78 78 GLY N N 108.147 0.061 1 621 79 79 ILE H H 7.900 0.022 1 622 79 79 ILE HA H 3.789 0.014 1 623 79 79 ILE HB H 1.795 0.025 1 624 79 79 ILE HG12 H 0.666 0.004 2 625 79 79 ILE HG13 H 0.588 0.016 2 626 79 79 ILE C C 178.569 0.000 1 627 79 79 ILE CA C 64.946 0.055 1 628 79 79 ILE N N 124.258 0.100 1 629 80 80 LEU H H 8.332 0.015 1 630 80 80 LEU HA H 3.721 0.015 1 631 80 80 LEU C C 178.708 0.000 1 632 80 80 LEU CA C 57.887 0.052 1 633 80 80 LEU CB C 41.708 0.000 1 634 80 80 LEU N N 117.638 0.095 1 635 81 81 GLU H H 7.444 0.015 1 636 81 81 GLU HA H 3.630 0.021 1 637 81 81 GLU HB2 H 2.437 0.000 1 638 81 81 GLU C C 177.263 0.000 1 639 81 81 GLU CA C 58.441 0.000 1 640 81 81 GLU CB C 29.607 0.000 1 641 81 81 GLU N N 117.844 0.138 1 642 82 82 GLU H H 7.352 0.016 1 643 82 82 GLU HA H 3.860 0.018 1 644 82 82 GLU HB2 H 2.043 0.012 1 645 82 82 GLU HG2 H 2.299 0.024 1 646 82 82 GLU C C 178.850 0.000 1 647 82 82 GLU CA C 58.686 0.086 1 648 82 82 GLU CB C 29.866 0.000 1 649 82 82 GLU N N 117.032 0.020 1 650 83 83 LYS H H 8.178 0.014 1 651 83 83 LYS HA H 4.012 0.007 1 652 83 83 LYS HB2 H 1.633 0.009 2 653 83 83 LYS HB3 H 1.870 0.010 2 654 83 83 LYS HD2 H 1.697 0.005 1 655 83 83 LYS C C 176.701 0.000 1 656 83 83 LYS CA C 57.068 0.065 1 657 83 83 LYS CB C 33.157 0.000 1 658 83 83 LYS N N 115.040 0.055 1 659 84 84 ASN H H 7.568 0.031 1 660 84 84 ASN HA H 5.094 0.010 1 661 84 84 ASN HB2 H 2.651 0.014 2 662 84 84 ASN HB3 H 2.486 0.013 2 663 84 84 ASN HD21 H 7.744 0.071 1 664 84 84 ASN HD22 H 6.923 0.022 1 665 84 84 ASN CA C 50.993 0.000 1 666 84 84 ASN N N 115.812 0.073 1 667 84 84 ASN ND2 N 113.816 0.279 1 668 85 85 PRO HA H 4.522 0.000 1 669 88 88 PRO HA H 4.404 0.021 1 670 88 88 PRO HB2 H 2.297 0.019 2 671 88 88 PRO HB3 H 2.677 0.006 2 672 88 88 PRO C C 177.373 0.000 1 673 88 88 PRO CA C 63.203 0.077 1 674 88 88 PRO CB C 32.108 0.000 1 675 89 89 LEU H H 9.718 0.016 1 676 89 89 LEU HA H 4.527 0.007 1 677 89 89 LEU HB2 H 1.741 0.006 2 678 89 89 LEU HB3 H 2.138 0.004 2 679 89 89 LEU HD1 H 0.597 0.020 2 680 89 89 LEU HD2 H 0.719 0.002 2 681 89 89 LEU C C 175.965 0.000 1 682 89 89 LEU CA C 53.265 0.017 1 683 89 89 LEU CB C 44.294 0.000 1 684 89 89 LEU N N 122.635 0.079 1 685 90 90 ALA H H 7.170 0.021 1 686 90 90 ALA HA H 4.026 0.012 1 687 90 90 ALA HB H 1.255 0.012 1 688 90 90 ALA C C 177.874 0.000 1 689 90 90 ALA CA C 53.715 0.035 1 690 90 90 ALA CB C 18.560 0.000 1 691 90 90 ALA N N 122.752 0.046 1 692 91 91 THR H H 8.714 0.010 1 693 91 91 THR HA H 4.369 0.009 1 694 91 91 THR HB H 3.757 0.008 1 695 91 91 THR HG2 H 0.981 0.016 1 696 91 91 THR CA C 61.192 0.000 1 697 91 91 THR N N 122.865 0.025 1 698 92 92 PRO HA H 5.148 0.000 1 699 92 92 PRO HB2 H 1.971 0.004 1 700 93 93 PRO HA H 4.065 0.002 1 701 93 93 PRO HB2 H 2.109 0.000 1 702 93 93 PRO HD2 H 3.704 0.000 1 703 93 93 PRO C C 178.504 0.000 1 704 93 93 PRO CA C 65.229 0.085 1 705 93 93 PRO CB C 31.823 0.000 1 706 94 94 GLU H H 9.612 0.019 1 707 94 94 GLU HA H 3.924 0.007 1 708 94 94 GLU HB2 H 2.368 0.010 2 709 94 94 GLU HB3 H 2.238 0.004 2 710 94 94 GLU HG2 H 1.841 0.008 1 711 94 94 GLU C C 177.340 0.000 1 712 94 94 GLU CA C 58.483 0.082 1 713 94 94 GLU CB C 27.860 0.000 1 714 94 94 GLU N N 117.719 0.035 1 715 95 95 PHE H H 7.890 0.018 1 716 95 95 PHE HA H 4.948 0.009 1 717 95 95 PHE HB2 H 3.580 0.011 2 718 95 95 PHE HB3 H 3.307 0.020 2 719 95 95 PHE C C 175.509 0.000 1 720 95 95 PHE CA C 54.683 0.060 1 721 95 95 PHE CB C 40.003 0.000 1 722 95 95 PHE N N 117.543 0.043 1 723 96 96 ALA H H 7.194 0.020 1 724 96 96 ALA HA H 3.799 0.020 1 725 96 96 ALA HB H 1.391 0.020 1 726 96 96 ALA C C 178.386 0.000 1 727 96 96 ALA CA C 55.419 0.008 1 728 96 96 ALA CB C 18.822 0.000 1 729 96 96 ALA N N 119.931 0.055 1 730 97 97 SER H H 8.379 0.011 1 731 97 97 SER HA H 4.510 0.006 1 732 97 97 SER HB2 H 3.808 0.014 2 733 97 97 SER HB3 H 4.676 0.021 2 734 97 97 SER C C 175.082 0.000 1 735 97 97 SER CA C 57.679 0.069 1 736 97 97 SER CB C 63.729 0.000 1 737 97 97 SER N N 109.667 0.039 1 738 98 98 VAL H H 7.190 0.019 1 739 98 98 VAL HA H 3.441 0.011 1 740 98 98 VAL HB H 1.618 0.014 1 741 98 98 VAL HG1 H 0.522 0.011 2 742 98 98 VAL HG2 H 0.176 0.009 2 743 98 98 VAL C C 176.681 0.000 1 744 98 98 VAL CA C 64.899 0.125 1 745 98 98 VAL CB C 30.148 0.000 1 746 98 98 VAL N N 126.440 0.042 1 747 99 99 GLY H H 8.628 0.019 1 748 99 99 GLY HA2 H 4.048 0.026 2 749 99 99 GLY HA3 H 4.327 0.000 2 750 99 99 GLY C C 177.175 0.000 1 751 99 99 GLY CA C 45.430 0.072 1 752 99 99 GLY N N 113.063 0.080 1 753 100 100 SER H H 7.899 0.016 1 754 100 100 SER HA H 3.964 0.014 1 755 100 100 SER C C 176.123 0.000 1 756 100 100 SER CA C 61.835 0.025 1 757 100 100 SER CB C 63.268 0.000 1 758 100 100 SER N N 116.309 0.054 1 759 101 101 LYS H H 9.026 0.017 1 760 101 101 LYS HA H 4.489 0.006 1 761 101 101 LYS HB2 H 1.868 0.019 2 762 101 101 LYS HB3 H 2.191 0.006 2 763 101 101 LYS HG2 H 1.007 0.023 1 764 101 101 LYS HD2 H 2.040 0.006 1 765 101 101 LYS HE2 H 2.867 0.000 1 766 101 101 LYS C C 178.306 0.000 1 767 101 101 LYS CA C 55.992 0.031 1 768 101 101 LYS CB C 31.858 0.000 1 769 101 101 LYS N N 119.823 0.039 1 770 102 102 ILE H H 7.902 0.016 1 771 102 102 ILE HA H 4.196 0.027 1 772 102 102 ILE HB H 1.498 0.028 1 773 102 102 ILE HG12 H 1.272 0.029 2 774 102 102 ILE HG13 H 0.743 0.023 2 775 102 102 ILE HG2 H 0.839 0.021 1 776 102 102 ILE HD1 H 0.774 0.030 1 777 102 102 ILE C C 176.462 0.000 1 778 102 102 ILE CA C 66.851 0.061 1 779 102 102 ILE N N 123.208 0.067 1 780 103 103 PHE H H 9.664 0.006 1 781 103 103 PHE HB2 H 3.297 0.005 2 782 103 103 PHE HB3 H 2.760 0.029 2 783 103 103 PHE HD1 H 7.364 0.019 1 784 103 103 PHE HD2 H 7.364 0.019 1 785 103 103 PHE CA C 63.818 0.000 1 786 103 103 PHE N N 119.708 0.027 1 787 104 104 PRO HA H 3.815 0.008 1 788 104 104 PRO HB2 H 2.524 0.023 2 789 104 104 PRO HB3 H 1.577 0.023 2 790 104 104 PRO C C 179.640 0.000 1 791 104 104 PRO CA C 65.727 0.066 1 792 104 104 PRO CB C 30.011 0.000 1 793 105 105 SER H H 7.191 0.020 1 794 105 105 SER HA H 4.097 0.016 1 795 105 105 SER HB2 H 3.391 0.007 2 796 105 105 SER HB3 H 3.563 0.011 2 797 105 105 SER C C 176.990 0.000 1 798 105 105 SER CA C 62.385 0.098 1 799 105 105 SER N N 113.094 0.092 1 800 106 106 PHE H H 8.767 0.014 1 801 106 106 PHE HA H 4.336 0.014 1 802 106 106 PHE HB2 H 2.675 0.030 2 803 106 106 PHE HB3 H 3.138 0.016 2 804 106 106 PHE HD1 H 6.947 0.029 1 805 106 106 PHE HD2 H 6.947 0.029 1 806 106 106 PHE HE1 H 6.812 0.023 1 807 106 106 PHE HE2 H 6.812 0.023 1 808 106 106 PHE C C 174.640 0.000 1 809 106 106 PHE CA C 59.637 0.037 1 810 106 106 PHE CB C 36.845 0.000 1 811 106 106 PHE N N 128.207 0.031 1 812 107 107 VAL H H 7.656 0.019 1 813 107 107 VAL HA H 1.926 0.020 1 814 107 107 VAL HB H 2.281 0.000 1 815 107 107 VAL HG1 H 0.327 0.012 2 816 107 107 VAL HG2 H 0.182 0.007 2 817 107 107 VAL C C 177.013 0.000 1 818 107 107 VAL CA C 66.785 0.037 1 819 107 107 VAL CB C 31.227 0.000 1 820 107 107 VAL N N 122.668 0.068 1 821 108 108 LYS H H 7.124 0.020 1 822 108 108 LYS HA H 3.670 0.015 1 823 108 108 LYS HB2 H 1.661 0.015 2 824 108 108 LYS HB3 H 1.532 0.008 2 825 108 108 LYS HG2 H 1.062 0.019 1 826 108 108 LYS C C 179.042 0.000 1 827 108 108 LYS CA C 59.396 0.076 1 828 108 108 LYS CB C 32.539 0.000 1 829 108 108 LYS N N 115.475 0.075 1 830 109 109 PHE H H 7.239 0.020 1 831 109 109 PHE HA H 4.685 0.020 1 832 109 109 PHE HB2 H 2.790 0.013 1 833 109 109 PHE HD1 H 6.163 0.011 1 834 109 109 PHE HD2 H 6.163 0.011 1 835 109 109 PHE C C 177.169 0.000 1 836 109 109 PHE CA C 57.809 0.045 1 837 109 109 PHE CB C 39.427 0.000 1 838 109 109 PHE N N 118.134 0.137 1 839 110 110 LEU H H 8.673 0.018 1 840 110 110 LEU HA H 2.948 0.015 1 841 110 110 LEU HB2 H 0.585 0.006 1 842 110 110 LEU HG H 0.747 0.028 1 843 110 110 LEU HD1 H 0.503 0.014 2 844 110 110 LEU HD2 H 0.473 0.013 2 845 110 110 LEU C C 176.756 0.000 1 846 110 110 LEU CA C 57.958 0.046 1 847 110 110 LEU CB C 40.379 0.000 1 848 110 110 LEU N N 121.378 0.142 1 849 111 111 LYS H H 7.099 0.016 1 850 111 111 LYS HA H 3.684 0.013 1 851 111 111 LYS HB2 H 1.402 0.007 2 852 111 111 LYS HB3 H 2.497 0.023 2 853 111 111 LYS C C 175.985 0.000 1 854 111 111 LYS CA C 57.117 0.038 1 855 111 111 LYS CB C 33.039 0.000 1 856 111 111 LYS N N 111.191 0.054 1 857 112 112 SER H H 6.943 0.023 1 858 112 112 SER HA H 4.018 0.010 1 859 112 112 SER HB2 H 4.187 0.023 1 860 112 112 SER C C 176.588 0.000 1 861 112 112 SER CA C 58.864 0.033 1 862 112 112 SER CB C 62.564 0.000 1 863 112 112 SER N N 114.765 0.088 1 864 113 113 LYS H H 8.918 0.016 1 865 113 113 LYS HA H 4.578 0.015 1 866 113 113 LYS HB2 H 1.499 0.005 2 867 113 113 LYS HB3 H 1.988 0.005 2 868 113 113 LYS HG2 H 1.326 0.015 1 869 113 113 LYS HE2 H 3.093 0.000 1 870 113 113 LYS C C 175.235 0.000 1 871 113 113 LYS CA C 54.420 0.005 1 872 113 113 LYS CB C 32.703 0.000 1 873 113 113 LYS N N 128.239 0.097 1 874 114 114 ASP H H 7.975 0.016 1 875 114 114 ASP HA H 5.075 0.010 1 876 114 114 ASP HB2 H 2.932 0.009 2 877 114 114 ASP HB3 H 2.372 0.013 2 878 114 114 ASP CA C 50.164 0.000 1 879 114 114 ASP N N 120.988 0.052 1 880 115 115 PRO HA H 4.462 0.020 1 881 115 115 PRO HB2 H 2.556 0.027 1 882 115 115 PRO C C 177.103 0.000 1 883 115 115 PRO CA C 63.487 0.033 1 884 115 115 PRO CB C 32.451 0.000 1 885 116 116 ASN H H 8.319 0.023 1 886 116 116 ASN HA H 4.930 0.008 1 887 116 116 ASN HB2 H 2.675 0.013 2 888 116 116 ASN HB3 H 1.736 0.016 2 889 116 116 ASN HD21 H 6.923 0.019 1 890 116 116 ASN HD22 H 7.773 0.008 1 891 116 116 ASN C C 175.666 0.000 1 892 116 116 ASN CA C 52.966 0.043 1 893 116 116 ASN CB C 39.101 0.000 1 894 116 116 ASN N N 115.697 0.094 1 895 116 116 ASN ND2 N 114.555 0.224 1 896 117 117 ASP H H 7.623 0.025 1 897 117 117 ASP HA H 4.291 0.011 1 898 117 117 ASP HB2 H 2.805 0.015 2 899 117 117 ASP HB3 H 3.100 0.003 2 900 117 117 ASP CA C 54.398 0.000 1 901 117 117 ASP N N 118.852 0.125 1 902 118 118 GLY H H 8.589 0.010 1 903 118 118 GLY HA2 H 3.959 0.024 2 904 118 118 GLY HA3 H 4.108 0.023 2 905 118 118 GLY C C 176.672 0.000 1 906 118 118 GLY CA C 45.699 0.104 1 907 118 118 GLY N N 108.732 0.031 1 908 119 119 THR H H 8.827 0.018 1 909 119 119 THR HA H 3.826 0.023 1 910 119 119 THR HB H 4.051 0.000 1 911 119 119 THR HG2 H 0.971 0.018 1 912 119 119 THR C C 179.237 0.000 1 913 119 119 THR CA C 65.725 0.025 1 914 119 119 THR CB C 69.060 0.000 1 915 119 119 THR N N 116.328 0.029 1 916 120 120 GLU H H 8.719 0.012 1 917 120 120 GLU HA H 2.222 0.019 1 918 120 120 GLU HB2 H 1.860 0.027 2 919 120 120 GLU HB3 H 1.248 0.026 2 920 120 120 GLU C C 177.416 0.000 1 921 120 120 GLU CA C 59.576 0.000 1 922 120 120 GLU N N 127.137 0.042 1 923 121 121 GLN H H 7.778 0.023 1 924 121 121 GLN HA H 4.233 0.025 1 925 121 121 GLN HB2 H 2.501 0.011 2 926 121 121 GLN HB3 H 2.062 0.010 2 927 121 121 GLN HG2 H 2.285 0.021 1 928 121 121 GLN HE21 H 7.631 0.021 1 929 121 121 GLN HE22 H 6.889 0.022 1 930 121 121 GLN C C 178.081 0.000 1 931 121 121 GLN CA C 59.728 0.030 1 932 121 121 GLN CB C 27.025 0.000 1 933 121 121 GLN N N 117.420 0.132 1 934 121 121 GLN NE2 N 113.065 0.229 1 935 122 122 ALA H H 7.773 0.020 1 936 122 122 ALA HA H 4.063 0.014 1 937 122 122 ALA HB H 1.343 0.019 1 938 122 122 ALA C C 180.410 0.000 1 939 122 122 ALA CA C 55.013 0.044 1 940 122 122 ALA CB C 18.039 0.000 1 941 122 122 ALA N N 121.070 0.106 1 942 123 123 LEU H H 7.185 0.023 1 943 123 123 LEU HA H 4.067 0.022 1 944 123 123 LEU HB2 H 1.523 0.030 1 945 123 123 LEU HD1 H 0.452 0.024 1 946 123 123 LEU C C 178.651 0.000 1 947 123 123 LEU CA C 57.624 0.087 1 948 123 123 LEU CB C 40.392 0.000 1 949 123 123 LEU N N 118.605 0.199 1 950 124 124 LEU H H 8.513 0.020 1 951 124 124 LEU HA H 3.960 0.012 1 952 124 124 LEU HB2 H 1.690 0.019 2 953 124 124 LEU HB3 H 1.538 0.011 2 954 124 124 LEU C C 179.228 0.000 1 955 124 124 LEU CA C 58.625 0.069 1 956 124 124 LEU CB C 41.753 0.000 1 957 124 124 LEU N N 120.280 0.059 1 958 125 125 GLU H H 8.398 0.019 1 959 125 125 GLU HA H 3.941 0.008 1 960 125 125 GLU C C 176.250 0.000 1 961 125 125 GLU CA C 59.513 0.021 1 962 125 125 GLU CB C 32.896 0.000 1 963 125 125 GLU N N 118.247 0.077 1 964 126 126 GLU H H 7.480 0.026 1 965 126 126 GLU HA H 4.661 0.029 1 966 126 126 GLU C C 180.722 0.000 1 967 126 126 GLU CA C 58.824 0.551 1 968 126 126 GLU CB C 29.540 0.000 1 969 126 126 GLU N N 118.526 0.102 1 970 127 127 LEU H H 8.580 0.025 1 971 127 127 LEU HA H 3.979 0.025 1 972 127 127 LEU HB2 H 2.062 0.014 2 973 127 127 LEU HB3 H 1.987 0.006 2 974 127 127 LEU HD1 H 1.019 0.022 2 975 127 127 LEU HD2 H 0.644 0.022 2 976 127 127 LEU C C 178.723 0.000 1 977 127 127 LEU CA C 58.141 0.038 1 978 127 127 LEU CB C 42.060 0.000 1 979 127 127 LEU N N 121.843 0.108 1 980 128 128 LYS H H 9.034 0.016 1 981 128 128 LYS HA H 3.805 0.011 1 982 128 128 LYS HE2 H 2.790 0.019 1 983 128 128 LYS C C 179.386 0.000 1 984 128 128 LYS CA C 59.767 0.021 1 985 128 128 LYS CB C 32.086 0.000 1 986 128 128 LYS N N 121.130 0.030 1 987 129 129 ALA H H 7.878 0.034 1 988 129 129 ALA HA H 4.168 0.014 1 989 129 129 ALA HB H 1.509 0.022 1 990 129 129 ALA C C 181.182 0.000 1 991 129 129 ALA CA C 54.822 0.034 1 992 129 129 ALA CB C 17.462 0.000 1 993 129 129 ALA N N 123.054 0.112 1 994 130 130 LEU H H 7.564 0.023 1 995 130 130 LEU HA H 3.984 0.022 1 996 130 130 LEU HD1 H 0.359 0.025 1 997 130 130 LEU C C 177.426 0.000 1 998 130 130 LEU CA C 57.653 0.063 1 999 130 130 LEU CB C 40.935 0.000 1 1000 130 130 LEU N N 121.009 0.061 1 1001 131 131 ASP H H 8.426 0.018 1 1002 131 131 ASP HA H 4.144 0.013 1 1003 131 131 ASP HB2 H 2.148 0.013 2 1004 131 131 ASP HB3 H 1.844 0.016 2 1005 131 131 ASP C C 177.697 0.000 1 1006 131 131 ASP CA C 59.192 0.029 1 1007 131 131 ASP CB C 44.040 0.000 1 1008 131 131 ASP N N 120.652 0.101 1 1009 132 132 GLY H H 8.349 0.020 1 1010 132 132 GLY HA2 H 3.827 0.017 2 1011 132 132 GLY HA3 H 3.649 0.015 2 1012 132 132 GLY C C 176.694 0.000 1 1013 132 132 GLY CA C 46.864 0.067 1 1014 132 132 GLY N N 102.718 0.056 1 1015 133 133 HIS H H 7.856 0.016 1 1016 133 133 HIS HA H 4.125 0.004 1 1017 133 133 HIS HB2 H 3.064 0.018 2 1018 133 133 HIS HB3 H 3.389 0.018 2 1019 133 133 HIS C C 177.935 0.000 1 1020 133 133 HIS CA C 60.850 0.051 1 1021 133 133 HIS CB C 31.196 0.000 1 1022 133 133 HIS N N 122.295 0.062 1 1023 134 134 LEU H H 8.257 0.025 1 1024 134 134 LEU HA H 4.213 0.013 1 1025 134 134 LEU HB2 H 1.485 0.028 2 1026 134 134 LEU HB3 H 1.220 0.026 2 1027 134 134 LEU HD1 H 0.962 0.022 2 1028 134 134 LEU HD2 H 0.374 0.018 2 1029 134 134 LEU C C 178.328 0.000 1 1030 134 134 LEU CA C 56.394 0.020 1 1031 134 134 LEU CB C 43.012 0.000 1 1032 134 134 LEU N N 119.514 0.068 1 1033 135 135 LYS H H 7.679 0.023 1 1034 135 135 LYS HA H 2.763 0.018 1 1035 135 135 LYS HB2 H 1.654 0.026 1 1036 135 135 LYS HG2 H 1.071 0.018 1 1037 135 135 LYS HE2 H 2.908 0.010 1 1038 135 135 LYS HZ H 6.849 0.005 1 1039 135 135 LYS C C 176.746 0.000 1 1040 135 135 LYS CA C 59.281 0.025 1 1041 135 135 LYS CB C 32.223 0.000 1 1042 135 135 LYS N N 119.999 0.051 1 1043 136 136 VAL H H 6.428 0.019 1 1044 136 136 VAL HA H 3.730 0.009 1 1045 136 136 VAL HB H 1.497 0.009 1 1046 136 136 VAL HG1 H 0.638 0.007 2 1047 136 136 VAL HG2 H 0.246 0.006 2 1048 136 136 VAL C C 176.418 0.000 1 1049 136 136 VAL CA C 62.940 0.078 1 1050 136 136 VAL CB C 33.427 0.000 1 1051 136 136 VAL N N 112.493 0.059 1 1052 137 137 HIS H H 8.040 0.019 1 1053 137 137 HIS HA H 4.490 0.010 1 1054 137 137 HIS HB2 H 1.788 0.012 2 1055 137 137 HIS HB3 H 2.846 0.002 2 1056 137 137 HIS HE1 H 8.167 0.000 1 1057 137 137 HIS HE2 H 7.054 0.008 1 1058 137 137 HIS C C 172.863 0.000 1 1059 137 137 HIS CA C 55.224 0.032 1 1060 137 137 HIS CB C 29.640 0.000 1 1061 137 137 HIS N N 117.159 0.091 1 1062 138 138 GLY H H 7.314 0.013 1 1063 138 138 GLY HA2 H 5.125 0.010 2 1064 138 138 GLY HA3 H 3.641 0.021 2 1065 138 138 GLY CA C 44.931 0.000 1 1066 138 138 GLY N N 104.231 0.038 1 1067 139 139 PRO HA H 4.655 0.021 1 1068 139 139 PRO HB2 H 1.951 0.027 1 1069 139 139 PRO HD2 H 3.824 0.024 2 1070 139 139 PRO HD3 H 3.326 0.009 2 1071 139 139 PRO C C 175.688 0.000 1 1072 139 139 PRO CA C 64.247 0.179 1 1073 139 139 PRO CB C 34.522 0.000 1 1074 140 140 PHE H H 8.326 0.017 1 1075 140 140 PHE HA H 5.063 0.020 1 1076 140 140 PHE HB2 H 3.005 0.000 2 1077 140 140 PHE HB3 H 2.889 0.024 2 1078 140 140 PHE HD1 H 6.792 0.016 1 1079 140 140 PHE HD2 H 6.792 0.016 1 1080 140 140 PHE HE1 H 7.019 0.023 1 1081 140 140 PHE HE2 H 7.019 0.023 1 1082 140 140 PHE C C 176.165 0.000 1 1083 140 140 PHE CA C 56.863 0.191 1 1084 140 140 PHE CB C 38.670 0.000 1 1085 140 140 PHE N N 117.517 0.113 1 1086 141 141 ILE H H 9.250 0.018 1 1087 141 141 ILE HA H 5.563 0.000 1 1088 141 141 ILE HG12 H 0.908 0.019 1 1089 141 141 ILE C C 176.113 0.000 1 1090 141 141 ILE CA C 66.078 0.032 1 1091 141 141 ILE CB C 35.729 0.000 1 1092 141 141 ILE N N 119.485 0.054 1 1093 142 142 ALA H H 9.176 0.022 1 1094 142 142 ALA HA H 4.269 0.019 1 1095 142 142 ALA HB H 1.265 0.021 1 1096 142 142 ALA C C 177.145 0.000 1 1097 142 142 ALA CA C 49.064 0.029 1 1098 142 142 ALA CB C 19.320 0.000 1 1099 142 142 ALA N N 117.432 0.191 1 1100 143 143 GLY H H 7.535 0.020 1 1101 143 143 GLY HA2 H 3.735 0.018 2 1102 143 143 GLY HA3 H 4.335 0.021 2 1103 143 143 GLY C C 173.768 0.000 1 1104 143 143 GLY CA C 45.621 0.106 1 1105 143 143 GLY N N 111.518 0.090 1 1106 144 144 GLU H H 8.597 0.013 1 1107 144 144 GLU HA H 3.996 0.011 1 1108 144 144 GLU HB2 H 2.072 0.021 2 1109 144 144 GLU HB3 H 2.292 0.018 2 1110 144 144 GLU C C 176.140 0.000 1 1111 144 144 GLU CA C 58.355 0.048 1 1112 144 144 GLU CB C 30.601 0.000 1 1113 144 144 GLU N N 121.721 0.076 1 1114 145 145 LYS H H 7.804 0.012 1 1115 145 145 LYS HA H 4.564 0.008 1 1116 145 145 LYS HB2 H 1.563 0.002 1 1117 145 145 LYS HG2 H 1.303 0.005 2 1118 145 145 LYS HG3 H 1.674 0.004 2 1119 145 145 LYS HD2 H 1.456 0.012 2 1120 145 145 LYS HD3 H 1.126 0.018 2 1121 145 145 LYS HE2 H 3.179 0.010 2 1122 145 145 LYS HE3 H 2.747 0.008 2 1123 145 145 LYS C C 174.738 0.000 1 1124 145 145 LYS CA C 53.925 0.055 1 1125 145 145 LYS CB C 34.238 0.000 1 1126 145 145 LYS N N 116.857 0.135 1 1127 146 146 ILE H H 7.642 0.017 1 1128 146 146 ILE HA H 3.373 0.014 1 1129 146 146 ILE HB H 2.369 0.000 1 1130 146 146 ILE HG12 H 0.466 0.006 2 1131 146 146 ILE HG13 H 0.619 0.021 2 1132 146 146 ILE HG2 H 0.326 0.008 1 1133 146 146 ILE HD1 H 0.195 0.017 1 1134 146 146 ILE C C 173.792 0.000 1 1135 146 146 ILE CA C 60.869 0.044 1 1136 146 146 ILE CB C 38.255 0.000 1 1137 146 146 ILE N N 124.311 0.140 1 1138 147 147 THR H H 9.269 0.021 1 1139 147 147 THR HA H 4.527 0.009 1 1140 147 147 THR HB H 4.404 0.018 1 1141 147 147 THR C C 174.412 0.000 1 1142 147 147 THR CA C 60.360 0.065 1 1143 147 147 THR N N 115.527 0.108 1 1144 148 148 ALA H H 9.437 0.021 1 1145 148 148 ALA HA H 5.150 0.002 1 1146 148 148 ALA C C 178.112 0.000 1 1147 148 148 ALA CA C 55.486 0.105 1 1148 148 148 ALA CB C 18.679 0.000 1 1149 148 148 ALA N N 122.973 0.027 1 1150 149 149 VAL H H 8.323 0.018 1 1151 149 149 VAL HA H 4.539 0.008 1 1152 149 149 VAL HB H 2.480 0.027 1 1153 149 149 VAL HG1 H 0.883 0.026 2 1154 149 149 VAL HG2 H 0.932 0.000 2 1155 149 149 VAL C C 176.894 0.000 1 1156 149 149 VAL CA C 65.622 0.024 1 1157 149 149 VAL CB C 31.234 0.000 1 1158 149 149 VAL N N 118.259 0.092 1 1159 150 150 ASP H H 7.439 0.020 1 1160 150 150 ASP HA H 4.679 0.018 1 1161 150 150 ASP HB2 H 2.773 0.023 2 1162 150 150 ASP HB3 H 2.638 0.000 2 1163 150 150 ASP C C 177.676 0.000 1 1164 150 150 ASP CA C 57.495 0.103 1 1165 150 150 ASP N N 120.174 0.086 1 1166 151 151 LEU H H 7.155 0.028 1 1167 151 151 LEU HA H 4.034 0.021 1 1168 151 151 LEU HB2 H 2.010 0.017 2 1169 151 151 LEU HB3 H 1.842 0.014 2 1170 151 151 LEU C C 176.209 0.000 1 1171 151 151 LEU CA C 56.065 0.034 1 1172 151 151 LEU CB C 38.974 0.000 1 1173 151 151 LEU N N 114.948 0.111 1 1174 152 152 SER H H 7.483 0.019 1 1175 152 152 SER HA H 4.075 0.015 1 1176 152 152 SER HB2 H 3.911 0.032 2 1177 152 152 SER HB3 H 3.445 0.000 2 1178 152 152 SER C C 177.938 0.000 1 1179 152 152 SER CA C 59.097 0.082 1 1180 152 152 SER CB C 63.736 0.000 1 1181 152 152 SER N N 108.625 0.109 1 1182 153 153 LEU H H 8.230 0.028 1 1183 153 153 LEU HA H 3.650 0.022 1 1184 153 153 LEU HB2 H 1.672 0.019 1 1185 153 153 LEU HD1 H 1.180 0.033 1 1186 153 153 LEU C C 179.297 0.000 1 1187 153 153 LEU CA C 57.196 0.050 1 1188 153 153 LEU CB C 42.440 0.000 1 1189 153 153 LEU N N 119.508 0.105 1 1190 154 154 ALA H H 8.794 0.016 1 1191 154 154 ALA HA H 4.195 0.011 1 1192 154 154 ALA CA C 57.740 0.000 1 1193 154 154 ALA N N 120.719 0.043 1 1194 155 155 PRO HA H 4.404 0.013 1 1195 155 155 PRO HB2 H 2.242 0.024 2 1196 155 155 PRO HB3 H 2.463 0.026 2 1197 155 155 PRO C C 178.910 0.000 1 1198 155 155 PRO CA C 66.174 0.040 1 1199 155 155 PRO CB C 33.708 0.000 1 1200 156 156 LYS H H 6.614 0.026 1 1201 156 156 LYS HA H 3.796 0.016 1 1202 156 156 LYS HB2 H 1.398 0.021 2 1203 156 156 LYS HB3 H 2.126 0.023 2 1204 156 156 LYS HG2 H 1.800 0.015 1 1205 156 156 LYS C C 178.308 0.000 1 1206 156 156 LYS CA C 60.006 0.031 1 1207 156 156 LYS CB C 33.227 0.000 1 1208 156 156 LYS N N 113.941 0.074 1 1209 157 157 LEU H H 8.666 0.024 1 1210 157 157 LEU HA H 4.158 0.019 1 1211 157 157 LEU HB2 H 1.867 0.010 2 1212 157 157 LEU HB3 H 1.506 0.013 2 1213 157 157 LEU HG H 0.867 0.032 1 1214 157 157 LEU C C 177.812 0.000 1 1215 157 157 LEU CA C 57.313 0.046 1 1216 157 157 LEU CB C 41.238 0.000 1 1217 157 157 LEU N N 118.447 0.076 1 1218 158 158 TYR H H 8.222 0.019 1 1219 158 158 TYR HA H 4.526 0.011 1 1220 158 158 TYR HB2 H 3.308 0.012 2 1221 158 158 TYR HB3 H 3.108 0.008 2 1222 158 158 TYR HD1 H 7.057 0.034 1 1223 158 158 TYR HD2 H 7.057 0.034 1 1224 158 158 TYR HE1 H 6.045 0.003 1 1225 158 158 TYR HE2 H 6.045 0.003 1 1226 158 158 TYR C C 176.573 0.000 1 1227 158 158 TYR CA C 60.699 0.013 1 1228 158 158 TYR CB C 38.360 0.000 1 1229 158 158 TYR N N 120.992 0.058 1 1230 159 159 HIS H H 7.894 0.019 1 1231 159 159 HIS HA H 4.961 0.002 1 1232 159 159 HIS HB2 H 2.360 0.020 2 1233 159 159 HIS HB3 H 3.188 0.016 2 1234 159 159 HIS HD1 H 3.310 0.000 1 1235 159 159 HIS HD2 H 6.654 0.016 1 1236 159 159 HIS HE1 H 7.671 0.000 1 1237 159 159 HIS C C 176.233 0.000 1 1238 159 159 HIS CA C 62.362 0.095 1 1239 159 159 HIS CB C 33.064 0.000 1 1240 159 159 HIS N N 117.511 0.075 1 1241 160 160 LEU H H 7.473 0.025 1 1242 160 160 LEU HA H 3.924 0.014 1 1243 160 160 LEU HB2 H 1.276 0.000 2 1244 160 160 LEU HB3 H 1.097 0.000 2 1245 160 160 LEU HD1 H 1.035 0.018 1 1246 160 160 LEU C C 181.631 0.000 1 1247 160 160 LEU CA C 58.364 0.243 1 1248 160 160 LEU CB C 42.742 0.000 1 1249 160 160 LEU N N 118.595 0.113 1 1250 161 161 GLU H H 8.316 0.023 1 1251 161 161 GLU HA H 3.939 0.013 1 1252 161 161 GLU HB2 H 2.501 0.010 2 1253 161 161 GLU HB3 H 2.080 0.023 2 1254 161 161 GLU HG2 H 1.645 0.023 2 1255 161 161 GLU HG3 H 2.215 0.004 2 1256 161 161 GLU C C 180.563 0.000 1 1257 161 161 GLU CA C 59.923 0.018 1 1258 161 161 GLU CB C 29.495 0.000 1 1259 161 161 GLU N N 118.293 0.185 1 1260 162 162 VAL H H 8.397 0.018 1 1261 162 162 VAL HA H 3.513 0.022 1 1262 162 162 VAL HB H 2.693 0.022 1 1263 162 162 VAL HG1 H 0.635 0.005 1 1264 162 162 VAL C C 179.398 0.000 1 1265 162 162 VAL CA C 65.808 0.061 1 1266 162 162 VAL CB C 32.958 0.000 1 1267 162 162 VAL N N 119.129 0.132 1 1268 163 163 ALA H H 9.277 0.014 1 1269 163 163 ALA HA H 4.206 0.028 1 1270 163 163 ALA HB H 1.329 0.019 1 1271 163 163 ALA C C 180.515 0.000 1 1272 163 163 ALA CA C 55.827 0.049 1 1273 163 163 ALA CB C 17.682 0.000 1 1274 163 163 ALA N N 120.742 0.018 1 1275 164 164 LEU H H 8.525 0.016 1 1276 164 164 LEU HA H 4.109 0.014 1 1277 164 164 LEU HB2 H 1.173 0.007 2 1278 164 164 LEU HB3 H 1.802 0.014 2 1279 164 164 LEU HG H 1.732 0.037 1 1280 164 164 LEU HD1 H 0.334 0.008 1 1281 164 164 LEU C C 181.204 0.000 1 1282 164 164 LEU CA C 58.640 0.100 1 1283 164 164 LEU CB C 39.383 0.000 1 1284 164 164 LEU N N 115.458 0.061 1 1285 165 165 GLY H H 7.708 0.015 1 1286 165 165 GLY HA2 H 3.898 0.006 2 1287 165 165 GLY HA3 H 3.645 0.017 2 1288 165 165 GLY C C 174.685 0.000 1 1289 165 165 GLY CA C 47.944 0.071 1 1290 165 165 GLY N N 107.554 0.040 1 1291 166 166 HIS H H 7.736 0.028 1 1292 166 166 HIS HB2 H 3.347 0.014 2 1293 166 166 HIS HB3 H 3.744 0.025 2 1294 166 166 HIS C C 176.322 0.000 1 1295 166 166 HIS CA C 59.279 0.019 1 1296 166 166 HIS CB C 30.116 0.000 1 1297 166 166 HIS N N 117.417 0.111 1 1298 167 167 PHE H H 8.760 0.013 1 1299 167 167 PHE HA H 4.102 0.007 1 1300 167 167 PHE HB2 H 2.700 0.017 2 1301 167 167 PHE HB3 H 3.711 0.011 2 1302 167 167 PHE HD1 H 7.876 0.013 1 1303 167 167 PHE HD2 H 7.876 0.013 1 1304 167 167 PHE HE1 H 7.336 0.027 1 1305 167 167 PHE HE2 H 7.336 0.027 1 1306 167 167 PHE HZ H 7.183 0.000 1 1307 167 167 PHE C C 176.903 0.000 1 1308 167 167 PHE CA C 61.180 0.052 1 1309 167 167 PHE CB C 38.985 0.000 1 1310 167 167 PHE N N 112.250 0.028 1 1311 168 168 LYS H H 7.000 0.028 1 1312 168 168 LYS HA H 4.519 0.007 1 1313 168 168 LYS HB2 H 1.973 0.011 2 1314 168 168 LYS HB3 H 1.672 0.013 2 1315 168 168 LYS HG2 H 0.487 0.026 2 1316 168 168 LYS HG3 H 1.411 0.000 2 1317 168 168 LYS HD2 H 1.556 0.027 1 1318 168 168 LYS HE2 H 3.230 0.000 2 1319 168 168 LYS HE3 H 2.806 0.024 2 1320 168 168 LYS HZ H 7.858 0.000 1 1321 168 168 LYS C C 174.898 0.000 1 1322 168 168 LYS CA C 54.591 0.020 1 1323 168 168 LYS CB C 33.979 0.000 1 1324 168 168 LYS N N 113.086 0.253 1 1325 169 169 ASN H H 7.102 0.022 1 1326 169 169 ASN HA H 4.655 0.006 1 1327 169 169 ASN HB2 H 3.002 0.012 2 1328 169 169 ASN HB3 H 2.561 0.017 2 1329 169 169 ASN HD21 H 6.664 0.013 1 1330 169 169 ASN HD22 H 7.453 0.008 1 1331 169 169 ASN C C 173.795 0.000 1 1332 169 169 ASN CA C 54.057 0.125 1 1333 169 169 ASN CB C 37.434 0.000 1 1334 169 169 ASN N N 117.959 0.074 1 1335 169 169 ASN ND2 N 111.845 0.183 1 1336 170 170 TRP H H 7.586 0.022 1 1337 170 170 TRP HA H 5.407 0.000 1 1338 170 170 TRP HD1 H 7.439 0.022 1 1339 170 170 TRP HE1 H 10.904 0.013 1 1340 170 170 TRP HE3 H 6.177 0.006 1 1341 170 170 TRP HZ2 H 6.998 0.024 1 1342 170 170 TRP HZ3 H 6.545 0.005 1 1343 170 170 TRP HH2 H 6.747 0.026 1 1344 170 170 TRP CA C 56.113 0.000 1 1345 170 170 TRP N N 121.790 0.119 1 1346 170 170 TRP NE1 N 131.757 0.027 1 1347 171 171 PRO HA H 4.836 0.000 1 1348 172 172 ILE H H 7.789 0.028 1 1349 172 172 ILE HA H 4.198 0.019 1 1350 172 172 ILE HB H 1.465 0.017 1 1351 172 172 ILE HG2 H 0.251 0.018 1 1352 172 172 ILE HD1 H 0.194 0.026 1 1353 172 172 ILE N N 119.720 0.196 1 1354 173 173 PRO HA H 4.047 0.007 1 1355 173 173 PRO HB2 H 2.218 0.020 2 1356 173 173 PRO HB3 H 2.059 0.005 2 1357 173 173 PRO HG2 H 1.722 0.022 1 1358 173 173 PRO HD2 H 3.201 0.029 2 1359 173 173 PRO HD3 H 3.421 0.029 2 1360 173 173 PRO C C 176.498 0.000 1 1361 173 173 PRO CA C 63.599 0.001 1 1362 173 173 PRO CB C 32.556 0.000 1 1363 174 174 ASP H H 7.762 0.021 1 1364 174 174 ASP HA H 3.941 0.012 1 1365 174 174 ASP HB2 H 2.421 0.007 2 1366 174 174 ASP HB3 H 3.001 0.000 2 1367 174 174 ASP C C 175.920 0.000 1 1368 174 174 ASP CA C 55.465 0.050 1 1369 174 174 ASP CB C 40.391 0.000 1 1370 174 174 ASP N N 119.281 0.147 1 1371 175 175 ASN H H 7.679 0.017 1 1372 175 175 ASN HA H 4.434 0.016 1 1373 175 175 ASN HB2 H 2.910 0.009 2 1374 175 175 ASN HB3 H 2.555 0.025 2 1375 175 175 ASN HD21 H 7.503 0.018 1 1376 175 175 ASN HD22 H 6.466 0.012 1 1377 175 175 ASN C C 176.651 0.000 1 1378 175 175 ASN CA C 53.285 0.063 1 1379 175 175 ASN CB C 36.894 0.000 1 1380 175 175 ASN N N 112.280 0.019 1 1381 175 175 ASN ND2 N 111.204 0.225 1 1382 176 176 LEU H H 7.607 0.017 1 1383 176 176 LEU HA H 4.540 0.009 1 1384 176 176 LEU HB2 H 1.834 0.011 2 1385 176 176 LEU HB3 H 1.505 0.021 2 1386 176 176 LEU HG H 0.779 0.011 1 1387 176 176 LEU HD1 H 1.371 0.010 2 1388 176 176 LEU HD2 H 1.225 0.020 2 1389 176 176 LEU C C 176.867 0.000 1 1390 176 176 LEU CA C 52.495 0.030 1 1391 176 176 LEU CB C 38.112 0.000 1 1392 176 176 LEU N N 125.607 0.055 1 1393 177 177 THR H H 7.488 0.019 1 1394 177 177 THR HA H 3.445 0.011 1 1395 177 177 THR HB H 4.651 0.012 1 1396 177 177 THR HG2 H 1.023 0.024 1 1397 177 177 THR C C 176.685 0.000 1 1398 177 177 THR CA C 65.191 0.071 1 1399 177 177 THR CB C 68.505 0.000 1 1400 177 177 THR N N 110.739 0.118 1 1401 178 178 HIS H H 9.053 0.018 1 1402 178 178 HIS HA H 4.171 0.016 1 1403 178 178 HIS HB2 H 3.203 0.013 1 1404 178 178 HIS C C 178.859 0.000 1 1405 178 178 HIS CA C 59.568 0.068 1 1406 178 178 HIS CB C 28.247 0.000 1 1407 178 178 HIS N N 122.244 0.075 1 1408 179 179 VAL H H 8.326 0.016 1 1409 179 179 VAL HA H 3.423 0.024 1 1410 179 179 VAL C C 176.945 0.000 1 1411 179 179 VAL CA C 66.972 0.084 1 1412 179 179 VAL CB C 31.530 0.000 1 1413 179 179 VAL N N 123.441 0.066 1 1414 180 180 LEU H H 8.101 0.023 1 1415 180 180 LEU HA H 3.832 0.019 1 1416 180 180 LEU HD1 H 0.638 0.009 1 1417 180 180 LEU C C 179.703 0.000 1 1418 180 180 LEU CA C 58.392 0.085 1 1419 180 180 LEU CB C 40.831 0.000 1 1420 180 180 LEU N N 118.738 0.120 1 1421 181 181 ASN H H 7.792 0.015 1 1422 181 181 ASN HA H 4.211 0.018 1 1423 181 181 ASN HB2 H 2.695 0.025 2 1424 181 181 ASN HB3 H 2.625 0.024 2 1425 181 181 ASN HD21 H 6.658 0.017 1 1426 181 181 ASN HD22 H 7.471 0.026 1 1427 181 181 ASN C C 176.060 0.000 1 1428 181 181 ASN CA C 56.132 0.023 1 1429 181 181 ASN CB C 38.629 0.000 1 1430 181 181 ASN N N 118.392 0.077 1 1431 181 181 ASN ND2 N 113.110 0.217 1 1432 182 182 TYR H H 7.791 0.035 1 1433 182 182 TYR HA H 4.108 0.021 1 1434 182 182 TYR HB2 H 3.141 0.005 2 1435 182 182 TYR HB3 H 2.849 0.020 2 1436 182 182 TYR HD1 H 6.932 0.031 1 1437 182 182 TYR HD2 H 6.932 0.031 1 1438 182 182 TYR C C 176.505 0.000 1 1439 182 182 TYR CA C 60.637 0.023 1 1440 182 182 TYR CB C 40.559 0.000 1 1441 182 182 TYR N N 123.053 0.161 1 1442 183 183 ILE H H 8.047 0.019 1 1443 183 183 ILE HA H 4.360 0.008 1 1444 183 183 ILE HB H 2.742 0.023 1 1445 183 183 ILE HG12 H 1.150 0.028 1 1446 183 183 ILE HG2 H 0.787 0.021 1 1447 183 183 ILE HD1 H 0.084 0.005 1 1448 183 183 ILE C C 178.560 0.000 1 1449 183 183 ILE CA C 65.564 0.015 1 1450 183 183 ILE CB C 37.001 0.000 1 1451 183 183 ILE N N 115.660 0.051 1 1452 184 184 LYS H H 7.138 0.028 1 1453 184 184 LYS HA H 3.193 0.017 1 1454 184 184 LYS HB2 H 1.678 0.030 2 1455 184 184 LYS HB3 H 1.317 0.019 2 1456 184 184 LYS C C 179.627 0.000 1 1457 184 184 LYS CA C 59.318 0.036 1 1458 184 184 LYS CB C 31.946 0.000 1 1459 184 184 LYS N N 118.817 0.055 1 1460 185 185 LEU H H 7.714 0.027 1 1461 185 185 LEU HA H 4.546 0.023 1 1462 185 185 LEU HB2 H 0.362 0.022 2 1463 185 185 LEU HB3 H 1.713 0.030 2 1464 185 185 LEU HG H 1.027 0.023 1 1465 185 185 LEU C C 179.984 0.000 1 1466 185 185 LEU CA C 57.394 0.036 1 1467 185 185 LEU CB C 42.484 0.000 1 1468 185 185 LEU N N 119.945 0.074 1 1469 186 186 LEU H H 8.136 0.022 1 1470 186 186 LEU HA H 3.676 0.012 1 1471 186 186 LEU HB2 H 2.513 0.004 2 1472 186 186 LEU HB3 H 1.521 0.018 2 1473 186 186 LEU HD1 H 0.492 0.030 1 1474 186 186 LEU C C 173.819 0.000 1 1475 186 186 LEU CA C 57.337 0.061 1 1476 186 186 LEU CB C 42.114 0.000 1 1477 186 186 LEU N N 119.830 0.111 1 1478 187 187 PHE H H 8.383 0.025 1 1479 187 187 PHE HA H 3.792 0.023 1 1480 187 187 PHE HB2 H 2.873 0.011 1 1481 187 187 PHE HD1 H 6.198 0.019 1 1482 187 187 PHE HD2 H 6.198 0.019 1 1483 187 187 PHE C C 176.955 0.000 1 1484 187 187 PHE CA C 55.108 0.024 1 1485 187 187 PHE CB C 35.306 0.000 1 1486 187 187 PHE N N 114.822 0.105 1 1487 188 188 SER H H 7.224 0.017 1 1488 188 188 SER HA H 4.315 0.008 1 1489 188 188 SER HB2 H 3.932 0.027 1 1490 188 188 SER C C 174.521 0.000 1 1491 188 188 SER CA C 58.577 0.077 1 1492 188 188 SER CB C 64.097 0.000 1 1493 188 188 SER N N 110.000 0.037 1 1494 189 189 ARG H H 7.250 0.016 1 1495 189 189 ARG HA H 4.161 0.007 1 1496 189 189 ARG HB2 H 2.170 0.018 2 1497 189 189 ARG HB3 H 2.715 0.018 2 1498 189 189 ARG C C 174.047 0.000 1 1499 189 189 ARG CA C 57.181 0.023 1 1500 189 189 ARG CB C 31.192 0.000 1 1501 189 189 ARG N N 122.611 0.051 1 1502 190 190 GLU H H 9.003 0.019 1 1503 190 190 GLU HA H 3.858 0.021 1 1504 190 190 GLU HB2 H 2.277 0.014 2 1505 190 190 GLU HB3 H 1.925 0.019 2 1506 190 190 GLU C C 178.013 0.000 1 1507 190 190 GLU CA C 59.803 0.037 1 1508 190 190 GLU CB C 29.301 0.000 1 1509 190 190 GLU N N 125.134 0.107 1 1510 191 191 SER H H 8.447 0.012 1 1511 191 191 SER HA H 3.728 0.014 1 1512 191 191 SER C C 175.915 0.000 1 1513 191 191 SER CA C 60.694 0.040 1 1514 191 191 SER N N 112.425 0.036 1 1515 192 192 PHE H H 6.843 0.023 1 1516 192 192 PHE HA H 3.455 0.025 1 1517 192 192 PHE HB2 H 3.310 0.016 1 1518 192 192 PHE C C 176.537 0.000 1 1519 192 192 PHE CA C 62.399 0.037 1 1520 192 192 PHE CB C 40.570 0.000 1 1521 192 192 PHE N N 126.030 0.033 1 1522 193 193 LYS H H 8.176 0.017 1 1523 193 193 LYS HA H 3.584 0.017 1 1524 193 193 LYS HB2 H 1.731 0.023 2 1525 193 193 LYS HB3 H 1.556 0.018 2 1526 193 193 LYS HG2 H 1.377 0.012 1 1527 193 193 LYS C C 179.194 0.000 1 1528 193 193 LYS CA C 60.325 0.048 1 1529 193 193 LYS CB C 32.268 0.000 1 1530 193 193 LYS N N 118.657 0.093 1 1531 194 194 LYS H H 7.980 0.016 1 1532 194 194 LYS HA H 3.999 0.019 1 1533 194 194 LYS HB2 H 1.681 0.011 2 1534 194 194 LYS HB3 H 1.293 0.013 2 1535 194 194 LYS HG2 H 1.442 0.016 1 1536 194 194 LYS C C 177.508 0.000 1 1537 194 194 LYS CA C 58.029 0.016 1 1538 194 194 LYS CB C 33.705 0.000 1 1539 194 194 LYS N N 113.957 0.053 1 1540 195 195 THR H H 6.915 0.019 1 1541 195 195 THR HA H 4.135 0.012 1 1542 195 195 THR HB H 4.054 0.024 1 1543 195 195 THR C C 172.172 0.000 1 1544 195 195 THR CA C 60.781 0.095 1 1545 195 195 THR HG2 H 0.805 0.020 1 1546 195 195 THR CB C 70.416 0.000 1 1547 195 195 THR N N 105.020 0.054 1 1548 196 196 ARG H H 6.840 0.018 1 1549 196 196 ARG HA H 3.633 0.018 1 1550 196 196 ARG HG2 H 0.988 0.027 1 1551 196 196 ARG C C 174.829 0.000 1 1552 196 196 ARG CA C 54.929 0.011 1 1553 196 196 ARG CB C 29.579 0.000 1 1554 196 196 ARG N N 120.967 0.029 1 1555 197 197 ALA H H 8.141 0.023 1 1556 197 197 ALA HA H 3.620 0.002 1 1557 197 197 ALA HB H 1.213 0.025 1 1558 197 197 ALA C C 176.655 0.000 1 1559 197 197 ALA CA C 49.903 0.019 1 1560 197 197 ALA CB C 19.320 0.000 1 1561 197 197 ALA N N 125.988 0.063 1 1562 198 198 ALA H H 9.117 0.010 1 1563 198 198 ALA HA H 4.036 0.016 1 1564 198 198 ALA HB H 1.310 0.027 1 1565 198 198 ALA C C 178.829 0.000 1 1566 198 198 ALA CA C 52.408 0.015 1 1567 198 198 ALA CB C 18.181 0.000 1 1568 198 198 ALA N N 125.248 0.043 1 1569 199 199 GLU H H 9.882 0.021 1 1570 199 199 GLU HA H 4.177 0.023 1 1571 199 199 GLU HB2 H 2.373 0.009 2 1572 199 199 GLU HB3 H 1.819 0.019 2 1573 199 199 GLU C C 178.385 0.000 1 1574 199 199 GLU CA C 62.031 0.038 1 1575 199 199 GLU CB C 28.399 0.000 1 1576 199 199 GLU N N 125.038 0.029 1 1577 200 200 GLU H H 9.287 0.016 1 1578 200 200 GLU HA H 3.769 0.014 1 1579 200 200 GLU HB2 H 2.714 0.015 2 1580 200 200 GLU HB3 H 1.614 0.016 2 1581 200 200 GLU C C 178.560 0.000 1 1582 200 200 GLU CA C 58.987 0.021 1 1583 200 200 GLU CB C 28.130 0.000 1 1584 200 200 GLU N N 114.747 0.059 1 1585 201 201 HIS H H 7.402 0.017 1 1586 201 201 HIS HA H 4.659 0.013 1 1587 201 201 HIS HB2 H 3.182 0.020 1 1588 201 201 HIS C C 178.727 0.000 1 1589 201 201 HIS CA C 57.886 0.017 1 1590 201 201 HIS CB C 30.554 0.000 1 1591 201 201 HIS N N 121.036 0.083 1 1592 202 202 VAL H H 7.602 0.024 1 1593 202 202 VAL HA H 3.822 0.027 1 1594 202 202 VAL HB H 2.181 0.022 1 1595 202 202 VAL HG1 H 0.295 0.023 1 1596 202 202 VAL CA C 66.065 0.086 1 1597 202 202 VAL CB C 31.630 0.000 1 1598 202 202 VAL N N 124.600 0.121 1 1599 203 203 ILE H H 8.037 0.016 1 1600 203 203 ILE HA H 4.718 0.009 1 1601 203 203 ILE HB H 2.649 0.009 1 1602 203 203 ILE HG12 H 1.473 0.030 1 1603 203 203 ILE HD1 H 0.165 0.015 1 1604 203 203 ILE C C 178.344 0.000 1 1605 203 203 ILE CA C 66.169 0.056 1 1606 203 203 ILE CB C 32.556 0.000 1 1607 203 203 ILE N N 118.818 0.111 1 1608 204 204 ALA H H 7.783 0.025 1 1609 204 204 ALA HA H 3.949 0.006 1 1610 204 204 ALA HB H 1.978 0.000 1 1611 204 204 ALA C C 180.157 0.000 1 1612 204 204 ALA CA C 54.811 0.049 1 1613 204 204 ALA CB C 18.505 0.000 1 1614 204 204 ALA N N 119.499 0.187 1 1615 205 205 GLY H H 7.631 0.018 1 1616 205 205 GLY HA2 H 3.921 0.023 2 1617 205 205 GLY HA3 H 3.893 0.009 2 1618 205 205 GLY C C 176.036 0.000 1 1619 205 205 GLY CA C 46.224 0.017 1 1620 205 205 GLY N N 103.052 0.055 1 1621 206 206 TRP H H 7.606 0.026 1 1622 206 206 TRP HA H 4.512 0.010 1 1623 206 206 TRP HD1 H 7.520 0.016 1 1624 206 206 TRP HE3 H 7.183 0.007 1 1625 206 206 TRP HZ2 H 6.697 0.015 1 1626 206 206 TRP CA C 58.953 0.000 1 1627 206 206 TRP N N 118.700 0.131 1 1628 208 208 PRO C C 175.934 0.000 1 1629 208 208 PRO CA C 64.682 0.000 1 1630 208 208 PRO CB C 32.811 0.000 1 1631 209 209 LYS H H 7.627 0.013 1 1632 209 209 LYS HA H 4.519 0.010 1 1633 209 209 LYS HB2 H 1.760 0.020 2 1634 209 209 LYS HB3 H 2.085 0.015 2 1635 209 209 LYS HG2 H 1.851 0.018 2 1636 209 209 LYS HG3 H 1.036 0.000 2 1637 209 209 LYS HD2 H 1.481 0.000 1 1638 209 209 LYS HZ H 7.016 0.023 1 1639 209 209 LYS N N 115.918 0.100 1 1640 209 209 LYS NZ N 113.117 0.232 1 1641 210 210 VAL HA H 3.551 0.004 1 1642 210 210 VAL C C 179.017 0.000 1 1643 211 211 ASN H H 8.301 0.026 1 1644 211 211 ASN HB2 H 2.939 0.024 1 1645 211 211 ASN HD21 H 7.455 0.012 1 1646 211 211 ASN HD22 H 6.806 0.016 1 1647 211 211 ASN C C 174.428 0.000 1 1648 211 211 ASN CA C 52.521 0.000 1 1649 211 211 ASN CB C 38.698 0.000 1 1650 211 211 ASN N N 115.675 0.071 1 1651 211 211 ASN ND2 N 113.136 0.229 1 1652 212 212 ALA H H 7.740 0.021 1 1653 212 212 ALA HA H 4.124 0.014 1 1654 212 212 ALA HB H 1.209 0.009 1 1655 212 212 ALA C C 177.419 0.000 1 1656 212 212 ALA CA C 52.722 0.000 1 1657 212 212 ALA CB C 19.069 0.000 1 1658 212 212 ALA N N 123.284 0.061 1 1659 213 213 HIS H H 8.333 0.005 1 1660 213 213 HIS HA H 4.502 0.007 1 1661 213 213 HIS HB2 H 2.964 0.000 2 1662 213 213 HIS HB3 H 3.025 0.000 2 1663 213 213 HIS HD1 H 4.698 0.010 1 1664 213 213 HIS N N 117.683 0.049 1 1665 214 214 HIS HA H 4.676 0.017 1 1666 215 215 HIS H H 8.176 0.012 1 1667 215 215 HIS HA H 4.356 0.022 1 1668 215 215 HIS HB2 H 3.000 0.019 2 1669 215 215 HIS HB3 H 3.133 0.000 2 1670 215 215 HIS N N 125.321 0.005 1 1671 217 217 HIS H H 6.957 0.005 1 1672 217 217 HIS HA H 3.691 1.017 1 1673 217 217 HIS HB2 H 2.663 0.024 1 1674 217 217 HIS N N 117.038 0.013 1 stop_ save_