data_30633 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; N-terminal domain of dynein intermediate chain from Chaetomium thermophilum ; _BMRB_accession_number 30633 _BMRB_flat_file_name bmr30633.str _Entry_type original _Submission_date 2019-07-10 _Accession_date 2019-07-10 _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 Loening N. M. . 2 Barbar E. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 527 "13C chemical shifts" 390 "15N chemical shifts" 94 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-08-12 original BMRB . stop_ _Original_release_date 2019-07-12 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Interplay of disorder and sequence specificity in the formation of stable dynein/dynactin complexes ; _Citation_status 'in press' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Loening Nikolaus M. . 2 Saravanan Sanjana . . 3 Jespersen Nathan E. . 4 Jara Kayla . . 5 Barbar Elisar . . stop_ _Journal_abbreviation 'Biophy. J.' _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Dynein intermediate chain protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 10013.260 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 92 _Mol_residue_sequence ; GAHMMQARREELLAKKARLA EIKRQRELRAQQAAGRSITP SELVSPTPSRANSRREIESL IDSILSSSAGANSPRRGSRP NSVISTGELSTD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 GLY 2 -2 ALA 3 -1 HIS 4 0 MET 5 1 MET 6 2 GLN 7 3 ALA 8 4 ARG 9 5 ARG 10 6 GLU 11 7 GLU 12 8 LEU 13 9 LEU 14 10 ALA 15 11 LYS 16 12 LYS 17 13 ALA 18 14 ARG 19 15 LEU 20 16 ALA 21 17 GLU 22 18 ILE 23 19 LYS 24 20 ARG 25 21 GLN 26 22 ARG 27 23 GLU 28 24 LEU 29 25 ARG 30 26 ALA 31 27 GLN 32 28 GLN 33 29 ALA 34 30 ALA 35 31 GLY 36 32 ARG 37 33 SER 38 34 ILE 39 35 THR 40 36 PRO 41 37 SER 42 38 GLU 43 39 LEU 44 40 VAL 45 41 SER 46 42 PRO 47 43 THR 48 44 PRO 49 45 SER 50 46 ARG 51 47 ALA 52 48 ASN 53 49 SER 54 50 ARG 55 51 ARG 56 52 GLU 57 53 ILE 58 54 GLU 59 55 SER 60 56 LEU 61 57 ILE 62 58 ASP 63 59 SER 64 60 ILE 65 61 LEU 66 62 SER 67 63 SER 68 64 SER 69 65 ALA 70 66 GLY 71 67 ALA 72 68 ASN 73 69 SER 74 70 PRO 75 71 ARG 76 72 ARG 77 73 GLY 78 74 SER 79 75 ARG 80 76 PRO 81 77 ASN 82 78 SER 83 79 VAL 84 80 ILE 85 81 SER 86 82 THR 87 83 GLY 88 84 GLU 89 85 LEU 90 86 SER 91 87 THR 92 88 ASP 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 _Strain _Gene_mnemonic $entity_1 'Chaetomium thermophilum' 759272 Eukaryota Fungi Chaetomium thermophilum 'DSM 1495 / CBS 144.50 / IMI 039719' CTHT_0056990 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'recombinant technology' . . . . plasmid pET-24 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '200 uM [U-99% 13C; U-99% 15N] CT-IC 1-88, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 200 uM '[U-99% 13C; U-99% 15N]' NaCl 50 mM 'natural abundance' phosphate 50 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' DSS 0.2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name ARIA _Version . loop_ _Vendor _Address _Electronic_address "Linge, O'Donoghue and Nilges" . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name 'CcpNmr Analysis' _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE III' _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-13C_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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' 100 . mM pH 6.5 . pH pressure 1 . atm temperature 288 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 internal indirect . . . 0.2514 DSS H 1 'methyl protons' ppm 0 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0 internal indirect . . . 0.1013 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 1H-13C NOESY' '3D 1H-15N NOESY' '3D HNCO' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 1 GLY HA2 H 3.848 0.005 1 2 -3 1 GLY HA3 H 3.848 0.005 1 3 -3 1 GLY CA C 43.138 . 1 4 -2 2 ALA H H 8.733 0.008 1 5 -2 2 ALA HA H 4.300 0.002 1 6 -2 2 ALA HB H 1.344 0.005 1 7 -2 2 ALA C C 177.789 . 1 8 -2 2 ALA CA C 52.536 0.068 1 9 -2 2 ALA CB C 19.251 0.069 1 10 -2 2 ALA N N 123.871 0.01 1 11 -1 3 HIS H H 8.695 0.008 1 12 -1 3 HIS HA H 4.646 0.005 1 13 -1 3 HIS HB2 H 3.163 0.009 2 14 -1 3 HIS HB3 H 3.220 0.011 2 15 -1 3 HIS HD2 H 7.193 . 1 16 -1 3 HIS HE1 H 8.272 . 1 17 -1 3 HIS C C 175.279 0.0 1 18 -1 3 HIS CA C 56.037 0.064 1 19 -1 3 HIS CB C 29.556 0.072 1 20 -1 3 HIS CD2 C 119.763 . 1 21 -1 3 HIS CE1 C 137.172 . 1 22 -1 3 HIS N N 119.048 0.054 1 23 0 4 MET H H 8.530 0.009 1 24 0 4 MET HA H 4.420 0.01 1 25 0 4 MET HB2 H 2.103 0.009 2 26 0 4 MET HB3 H 2.078 0.008 2 27 0 4 MET HG2 H 2.513 0.001 2 28 0 4 MET HG3 H 2.581 0.004 2 29 0 4 MET HE H 2.114 . 1 30 0 4 MET C C 176.538 0.004 1 31 0 4 MET CA C 56.037 0.008 1 32 0 4 MET CB C 32.711 0.017 1 33 0 4 MET CG C 31.689 0.017 1 34 0 4 MET CE C 16.908 . 1 35 0 4 MET N N 122.285 0.051 1 36 1 5 MET H H 8.596 0.003 1 37 1 5 MET HA H 4.423 0.007 1 38 1 5 MET HB2 H 2.078 0.008 2 39 1 5 MET HB3 H 2.101 0.008 2 40 1 5 MET HG2 H 2.587 0.003 2 41 1 5 MET HG3 H 2.660 0.003 2 42 1 5 MET HE H 2.102 . 1 43 1 5 MET C C 176.929 0.002 1 44 1 5 MET CA C 56.155 0.027 1 45 1 5 MET CB C 32.401 0.067 1 46 1 5 MET CG C 32.070 0.093 1 47 1 5 MET CE C 16.800 . 1 48 1 5 MET N N 121.831 0.038 1 49 2 6 GLN H H 8.518 0.005 1 50 2 6 GLN HA H 4.221 0.01 1 51 2 6 GLN HB2 H 2.083 0.006 1 52 2 6 GLN HB3 H 2.081 0.005 1 53 2 6 GLN HG2 H 2.406 0.002 1 54 2 6 GLN HG3 H 2.406 0.002 1 55 2 6 GLN HE21 H 6.928 0.003 1 56 2 6 GLN HE22 H 7.728 0.003 1 57 2 6 GLN C C 176.373 0.009 1 58 2 6 GLN CA C 56.977 0.035 1 59 2 6 GLN CB C 28.907 0.009 1 60 2 6 GLN CG C 33.501 0.006 1 61 2 6 GLN CD C 180.261 . 1 62 2 6 GLN N N 122.290 0.043 1 63 2 6 GLN NE2 N 113.287 0.019 1 64 3 7 ALA H H 8.426 0.003 1 65 3 7 ALA HA H 4.260 0.012 1 66 3 7 ALA HB H 1.434 0.01 1 67 3 7 ALA C C 178.817 0.007 1 68 3 7 ALA CA C 53.540 0.028 1 69 3 7 ALA CB C 18.729 0.059 1 70 3 7 ALA N N 124.483 0.04 1 71 4 8 ARG H H 8.277 0.003 1 72 4 8 ARG HA H 4.265 0.018 1 73 4 8 ARG HB2 H 1.961 0.002 2 74 4 8 ARG HB3 H 1.880 0.001 2 75 4 8 ARG HG2 H 1.707 0.016 1 76 4 8 ARG HG3 H 1.707 0.016 1 77 4 8 ARG HD2 H 3.267 0.003 1 78 4 8 ARG HD3 H 3.267 0.003 1 79 4 8 ARG C C 177.631 0.003 1 80 4 8 ARG CA C 57.171 0.044 1 81 4 8 ARG CB C 30.289 0.059 1 82 4 8 ARG CG C 27.240 . 1 83 4 8 ARG CD C 43.195 . 1 84 4 8 ARG N N 119.805 0.031 1 85 5 9 ARG H H 8.351 0.005 1 86 5 9 ARG HA H 4.130 0.008 1 87 5 9 ARG HB2 H 1.910 0.006 1 88 5 9 ARG HB3 H 1.910 0.006 1 89 5 9 ARG HG2 H 1.692 0.002 1 90 5 9 ARG HG3 H 1.692 0.002 1 91 5 9 ARG HD2 H 3.232 0.01 1 92 5 9 ARG HD3 H 3.232 0.01 1 93 5 9 ARG C C 177.937 0.01 1 94 5 9 ARG CA C 58.582 0.025 1 95 5 9 ARG CB C 30.144 0.004 1 96 5 9 ARG CG C 27.115 . 1 97 5 9 ARG CD C 43.173 . 1 98 5 9 ARG N N 121.968 0.038 1 99 6 10 GLU H H 8.646 0.004 1 100 6 10 GLU HA H 4.089 0.008 1 101 6 10 GLU HB2 H 2.077 0.012 1 102 6 10 GLU HB3 H 2.077 0.012 1 103 6 10 GLU HG2 H 2.383 0.004 1 104 6 10 GLU HG3 H 2.383 0.004 1 105 6 10 GLU C C 178.609 0.005 1 106 6 10 GLU CA C 58.801 0.053 1 107 6 10 GLU CB C 29.386 0.059 1 108 6 10 GLU CG C 36.317 . 1 109 6 10 GLU N N 119.948 0.051 1 110 7 11 GLU H H 8.258 0.003 1 111 7 11 GLU HA H 4.214 0.009 1 112 7 11 GLU HB2 H 2.155 0.006 1 113 7 11 GLU HB3 H 2.155 0.006 1 114 7 11 GLU HG2 H 2.397 0.009 1 115 7 11 GLU HG3 H 2.397 0.009 1 116 7 11 GLU C C 178.535 0.008 1 117 7 11 GLU CA C 58.409 0.033 1 118 7 11 GLU CB C 29.634 0.026 1 119 7 11 GLU CG C 36.352 . 1 120 7 11 GLU N N 122.010 0.055 1 121 8 12 LEU H H 8.140 0.004 1 122 8 12 LEU HA H 4.171 0.011 1 123 8 12 LEU HB2 H 1.677 0.012 2 124 8 12 LEU HB3 H 1.846 0.018 2 125 8 12 LEU HG H 1.720 0.013 1 126 8 12 LEU HD1 H 0.912 0.008 2 127 8 12 LEU HD2 H 0.921 0.01 2 128 8 12 LEU C C 179.602 0.005 1 129 8 12 LEU CA C 57.714 0.072 1 130 8 12 LEU CB C 41.633 0.044 1 131 8 12 LEU CG C 27.241 . 1 132 8 12 LEU CD1 C 23.263 . 2 133 8 12 LEU CD2 C 24.736 . 2 134 8 12 LEU N N 121.805 0.028 1 135 9 13 LEU H H 8.211 0.003 1 136 9 13 LEU HA H 4.115 0.006 1 137 9 13 LEU HB2 H 1.583 0.007 2 138 9 13 LEU HB3 H 1.858 0.008 2 139 9 13 LEU HG H 1.830 0.008 1 140 9 13 LEU HD1 H 0.914 0.009 2 141 9 13 LEU HD2 H 0.921 0.01 2 142 9 13 LEU C C 179.559 0.007 1 143 9 13 LEU CA C 57.580 0.03 1 144 9 13 LEU CB C 41.510 0.065 1 145 9 13 LEU CG C 27.256 0.05 1 146 9 13 LEU CD1 C 23.444 0.058 2 147 9 13 LEU CD2 C 24.790 . 2 148 9 13 LEU N N 120.426 0.034 1 149 10 14 ALA H H 8.038 0.004 1 150 10 14 ALA HA H 4.255 0.008 1 151 10 14 ALA HB H 1.536 0.005 1 152 10 14 ALA C C 180.195 0.007 1 153 10 14 ALA CA C 54.613 0.042 1 154 10 14 ALA CB C 18.067 0.084 1 155 10 14 ALA N N 123.218 0.033 1 156 11 15 LYS H H 8.153 0.004 1 157 11 15 LYS HA H 4.077 0.01 1 158 11 15 LYS HB2 H 1.974 0.004 1 159 11 15 LYS HB3 H 1.974 0.004 1 160 11 15 LYS HG2 H 1.450 0.005 2 161 11 15 LYS HG3 H 1.617 0.007 2 162 11 15 LYS HD2 H 1.701 0.008 1 163 11 15 LYS HD3 H 1.701 0.008 1 164 11 15 LYS HE2 H 2.988 0.002 1 165 11 15 LYS HE3 H 2.988 0.002 1 166 11 15 LYS C C 178.651 0.002 1 167 11 15 LYS CA C 59.395 0.024 1 168 11 15 LYS CB C 32.422 0.061 1 169 11 15 LYS CG C 25.132 0.033 1 170 11 15 LYS CD C 29.627 . 1 171 11 15 LYS CE C 41.819 . 1 172 11 15 LYS N N 120.563 0.034 1 173 12 16 LYS H H 8.130 0.004 1 174 12 16 LYS HA H 4.026 0.01 1 175 12 16 LYS HB2 H 1.955 0.004 1 176 12 16 LYS HB3 H 1.955 0.004 1 177 12 16 LYS HG2 H 1.444 0.008 2 178 12 16 LYS HG3 H 1.649 0.005 2 179 12 16 LYS HD2 H 1.716 0.001 1 180 12 16 LYS HD3 H 1.716 0.001 1 181 12 16 LYS HE2 H 2.997 0.005 1 182 12 16 LYS HE3 H 2.997 0.005 1 183 12 16 LYS C C 179.215 0.017 1 184 12 16 LYS CA C 59.509 0.05 1 185 12 16 LYS CB C 32.499 0.039 1 186 12 16 LYS CG C 25.195 0.043 1 187 12 16 LYS CD C 29.470 . 1 188 12 16 LYS CE C 41.888 . 1 189 12 16 LYS N N 119.547 0.038 1 190 13 17 ALA H H 8.140 0.003 1 191 13 17 ALA HA H 4.254 0.016 1 192 13 17 ALA HB H 1.542 0.006 1 193 13 17 ALA C C 180.316 0.012 1 194 13 17 ALA CA C 54.692 0.064 1 195 13 17 ALA CB C 17.987 0.073 1 196 13 17 ALA N N 122.810 0.033 1 197 14 18 ARG H H 8.160 0.004 1 198 14 18 ARG HA H 4.209 0.011 1 199 14 18 ARG HB2 H 2.003 0.006 1 200 14 18 ARG HB3 H 2.003 0.006 1 201 14 18 ARG HG2 H 1.770 0.01 2 202 14 18 ARG HG3 H 1.694 0.006 2 203 14 18 ARG HD2 H 3.205 0.018 2 204 14 18 ARG HD3 H 3.324 0.004 2 205 14 18 ARG C C 178.875 0.007 1 206 14 18 ARG CA C 58.836 0.022 1 207 14 18 ARG CB C 29.929 0.02 1 208 14 18 ARG CG C 27.060 0.037 1 209 14 18 ARG CD C 43.089 0.015 1 210 14 18 ARG N N 120.597 0.028 1 211 15 19 LEU H H 8.178 0.004 1 212 15 19 LEU HA H 4.113 0.009 1 213 15 19 LEU HB2 H 1.602 0.01 2 214 15 19 LEU HB3 H 1.868 0.008 2 215 15 19 LEU HG H 1.847 0.008 1 216 15 19 LEU HD1 H 0.913 0.009 2 217 15 19 LEU HD2 H 0.933 0.007 2 218 15 19 LEU C C 179.620 0.004 1 219 15 19 LEU CA C 57.800 0.022 1 220 15 19 LEU CB C 41.392 0.013 1 221 15 19 LEU CG C 26.838 0.044 1 222 15 19 LEU CD1 C 23.398 0.083 2 223 15 19 LEU CD2 C 24.870 0.048 2 224 15 19 LEU N N 119.880 0.041 1 225 16 20 ALA H H 8.075 0.004 1 226 16 20 ALA HA H 4.206 0.009 1 227 16 20 ALA HB H 1.547 0.005 1 228 16 20 ALA C C 180.197 0.014 1 229 16 20 ALA CA C 54.814 0.025 1 230 16 20 ALA CB C 17.908 0.052 1 231 16 20 ALA N N 122.177 0.036 1 232 17 21 GLU H H 7.944 0.004 1 233 17 21 GLU HA H 4.346 0.007 1 234 17 21 GLU HB2 H 2.171 0.008 1 235 17 21 GLU HB3 H 2.171 0.008 1 236 17 21 GLU HG2 H 2.351 0.003 2 237 17 21 GLU HG3 H 2.405 0.005 2 238 17 21 GLU C C 178.381 0.005 1 239 17 21 GLU CA C 58.449 0.028 1 240 17 21 GLU CB C 29.092 0.01 1 241 17 21 GLU CG C 35.104 0.041 1 242 17 21 GLU N N 121.159 0.028 1 243 18 22 ILE H H 8.072 0.003 1 244 18 22 ILE HA H 3.756 0.012 1 245 18 22 ILE HB H 1.931 0.006 1 246 18 22 ILE HG12 H 1.774 0.008 2 247 18 22 ILE HG13 H 1.180 0.009 2 248 18 22 ILE HG2 H 0.947 0.013 1 249 18 22 ILE HD1 H 0.894 0.007 1 250 18 22 ILE C C 178.748 0.005 1 251 18 22 ILE CA C 64.847 0.053 1 252 18 22 ILE CB C 38.245 0.021 1 253 18 22 ILE CG1 C 28.978 0.047 1 254 18 22 ILE CG2 C 16.884 0.065 1 255 18 22 ILE CD1 C 13.277 0.075 1 256 18 22 ILE N N 121.472 0.03 1 257 19 23 LYS H H 7.927 0.003 1 258 19 23 LYS HA H 4.009 0.007 1 259 19 23 LYS HB2 H 1.950 0.013 2 260 19 23 LYS HB3 H 1.927 0.008 2 261 19 23 LYS HG2 H 1.354 0.005 2 262 19 23 LYS HG3 H 1.516 0.004 2 263 19 23 LYS HD2 H 1.699 0.005 1 264 19 23 LYS HD3 H 1.699 0.005 1 265 19 23 LYS HE2 H 2.992 0.007 1 266 19 23 LYS HE3 H 2.992 0.007 1 267 19 23 LYS C C 178.143 0.006 1 268 19 23 LYS CA C 59.696 0.026 1 269 19 23 LYS CB C 32.602 0.008 1 270 19 23 LYS CG C 24.884 0.037 1 271 19 23 LYS CD C 29.499 . 1 272 19 23 LYS CE C 41.913 . 1 273 19 23 LYS N N 121.132 0.035 1 274 20 24 ARG H H 8.119 0.003 1 275 20 24 ARG HA H 4.136 0.007 1 276 20 24 ARG HB2 H 1.975 0.009 1 277 20 24 ARG HB3 H 1.975 0.009 1 278 20 24 ARG HG2 H 1.751 0.007 2 279 20 24 ARG HG3 H 1.556 0.012 2 280 20 24 ARG HD2 H 3.169 0.01 2 281 20 24 ARG HD3 H 3.363 0.003 2 282 20 24 ARG HE H 7.887 0.004 1 283 20 24 ARG C C 179.087 0.014 1 284 20 24 ARG CA C 59.058 0.028 1 285 20 24 ARG CB C 30.433 0.018 1 286 20 24 ARG CG C 27.460 0.019 1 287 20 24 ARG CD C 43.029 0.02 1 288 20 24 ARG N N 120.045 0.04 1 289 20 24 ARG NE N 84.245 0.034 1 290 21 25 GLN H H 8.397 0.003 1 291 21 25 GLN HA H 4.038 0.008 1 292 21 25 GLN HB2 H 2.194 0.01 1 293 21 25 GLN HB3 H 2.194 0.01 1 294 21 25 GLN HG2 H 2.587 0.002 2 295 21 25 GLN HG3 H 2.473 0.006 2 296 21 25 GLN HE21 H 6.874 0.003 1 297 21 25 GLN HE22 H 7.788 0.002 1 298 21 25 GLN C C 178.683 0.002 1 299 21 25 GLN CA C 58.729 0.025 1 300 21 25 GLN CB C 28.147 0.013 1 301 21 25 GLN CG C 33.740 0.065 1 302 21 25 GLN CD C 179.870 . 1 303 21 25 GLN N N 118.079 0.035 1 304 21 25 GLN NE2 N 113.096 0.029 1 305 22 26 ARG H H 8.224 0.004 1 306 22 26 ARG HA H 4.038 0.01 1 307 22 26 ARG HB2 H 2.002 0.007 1 308 22 26 ARG HB3 H 2.002 0.007 1 309 22 26 ARG HG2 H 1.636 0.003 1 310 22 26 ARG HG3 H 1.636 0.003 1 311 22 26 ARG HD2 H 3.223 0.01 1 312 22 26 ARG HD3 H 3.223 0.01 1 313 22 26 ARG C C 179.197 0.006 1 314 22 26 ARG CA C 59.322 0.044 1 315 22 26 ARG CB C 30.039 0.004 1 316 22 26 ARG CG C 27.069 . 1 317 22 26 ARG CD C 43.195 . 1 318 22 26 ARG N N 120.587 0.032 1 319 23 27 GLU H H 8.236 0.003 1 320 23 27 GLU HA H 4.131 0.006 1 321 23 27 GLU HB2 H 2.193 0.009 2 322 23 27 GLU HB3 H 2.094 0.01 2 323 23 27 GLU HG2 H 2.284 0.009 2 324 23 27 GLU HG3 H 2.501 0.003 2 325 23 27 GLU C C 178.850 0.01 1 326 23 27 GLU CA C 58.785 0.02 1 327 23 27 GLU CB C 29.292 0.013 1 328 23 27 GLU CG C 36.448 0.004 1 329 23 27 GLU N N 120.730 0.041 1 330 24 28 LEU H H 8.180 0.005 1 331 24 28 LEU HA H 4.178 0.009 1 332 24 28 LEU HB2 H 1.656 0.019 2 333 24 28 LEU HB3 H 1.825 0.013 2 334 24 28 LEU HG H 1.725 0.002 1 335 24 28 LEU HD1 H 0.911 0.009 2 336 24 28 LEU HD2 H 0.920 0.01 2 337 24 28 LEU C C 179.364 0.005 1 338 24 28 LEU CA C 57.567 0.098 1 339 24 28 LEU CB C 41.929 0.028 1 340 24 28 LEU CG C 27.085 . 1 341 24 28 LEU CD1 C 23.200 . 2 342 24 28 LEU CD2 C 24.881 0.01 2 343 24 28 LEU N N 121.419 0.043 1 344 25 29 ARG H H 8.048 0.002 1 345 25 29 ARG HA H 4.155 0.011 1 346 25 29 ARG HB2 H 1.932 0.018 1 347 25 29 ARG HB3 H 1.932 0.018 1 348 25 29 ARG HG2 H 1.696 0.017 1 349 25 29 ARG HG3 H 1.696 0.017 1 350 25 29 ARG HD2 H 3.238 0.004 1 351 25 29 ARG HD3 H 3.238 0.004 1 352 25 29 ARG C C 178.441 0.002 1 353 25 29 ARG CA C 58.401 0.033 1 354 25 29 ARG CB C 30.087 0.062 1 355 25 29 ARG CG C 26.953 0.074 1 356 25 29 ARG CD C 43.079 . 1 357 25 29 ARG N N 119.238 0.035 1 358 26 30 ALA H H 7.960 0.002 1 359 26 30 ALA HA H 4.254 0.005 1 360 26 30 ALA HB H 1.514 0.006 1 361 26 30 ALA C C 179.639 0.001 1 362 26 30 ALA CA C 54.196 0.042 1 363 26 30 ALA CB C 18.301 0.016 1 364 26 30 ALA N N 122.528 0.034 1 365 27 31 GLN H H 8.098 0.002 1 366 27 31 GLN HA H 4.200 0.007 1 367 27 31 GLN HB2 H 2.187 0.005 1 368 27 31 GLN HB3 H 2.187 0.005 1 369 27 31 GLN HG2 H 2.424 0.005 2 370 27 31 GLN HG3 H 2.540 0.001 2 371 27 31 GLN HE21 H 6.874 0.002 1 372 27 31 GLN HE22 H 7.566 0.001 1 373 27 31 GLN C C 177.760 0.009 1 374 27 31 GLN CA C 57.487 0.043 1 375 27 31 GLN CB C 28.739 0.019 1 376 27 31 GLN CG C 33.862 0.005 1 377 27 31 GLN CD C 180.127 . 1 378 27 31 GLN N N 118.663 0.033 1 379 27 31 GLN NE2 N 112.510 0.024 1 380 28 32 GLN H H 8.193 0.003 1 381 28 32 GLN HA H 4.224 0.007 1 382 28 32 GLN HB2 H 2.137 0.008 1 383 28 32 GLN HB3 H 2.137 0.008 1 384 28 32 GLN HG2 H 2.530 0.0 2 385 28 32 GLN HG3 H 2.439 0.008 2 386 28 32 GLN HE21 H 6.901 0.003 1 387 28 32 GLN HE22 H 7.577 0.003 1 388 28 32 GLN C C 177.250 0.002 1 389 28 32 GLN CA C 57.075 0.019 1 390 28 32 GLN CB C 28.775 0.03 1 391 28 32 GLN CG C 33.811 0.047 1 392 28 32 GLN CD C 180.127 . 1 393 28 32 GLN N N 119.828 0.033 1 394 28 32 GLN NE2 N 112.572 0.022 1 395 29 33 ALA H H 8.127 0.003 1 396 29 33 ALA HA H 4.257 0.013 1 397 29 33 ALA HB H 1.463 0.004 1 398 29 33 ALA C C 178.197 0.007 1 399 29 33 ALA CA C 53.368 0.071 1 400 29 33 ALA CB C 18.723 0.087 1 401 29 33 ALA N N 123.416 0.04 1 402 30 34 ALA H H 8.005 0.005 1 403 30 34 ALA HA H 4.292 0.012 1 404 30 34 ALA HB H 1.462 0.005 1 405 30 34 ALA C C 178.552 0.001 1 406 30 34 ALA CA C 53.003 0.058 1 407 30 34 ALA CB C 18.839 0.01 1 408 30 34 ALA N N 121.783 0.046 1 409 31 35 GLY H H 8.209 0.007 1 410 31 35 GLY HA2 H 3.974 0.005 1 411 31 35 GLY HA3 H 3.974 0.005 1 412 31 35 GLY C C 174.248 0.003 1 413 31 35 GLY CA C 45.428 0.051 1 414 31 35 GLY N N 107.308 0.038 1 415 32 36 ARG H H 8.025 0.007 1 416 32 36 ARG HA H 4.412 0.005 1 417 32 36 ARG HB2 H 1.888 0.007 2 418 32 36 ARG HB3 H 1.792 0.007 2 419 32 36 ARG HG2 H 1.656 0.006 1 420 32 36 ARG HG3 H 1.656 0.006 1 421 32 36 ARG HD2 H 3.208 0.005 1 422 32 36 ARG HD3 H 3.208 0.005 1 423 32 36 ARG C C 176.243 0.001 1 424 32 36 ARG CA C 55.934 0.013 1 425 32 36 ARG CB C 30.940 0.009 1 426 32 36 ARG CG C 26.953 . 1 427 32 36 ARG CD C 43.184 . 1 428 32 36 ARG N N 120.183 0.026 1 429 33 37 SER H H 8.417 0.004 1 430 33 37 SER HA H 4.488 0.005 1 431 33 37 SER HB2 H 3.858 0.006 1 432 33 37 SER HB3 H 3.858 0.006 1 433 33 37 SER C C 174.303 0.003 1 434 33 37 SER CA C 58.230 0.028 1 435 33 37 SER CB C 63.659 0.013 1 436 33 37 SER N N 117.395 0.039 1 437 34 38 ILE H H 8.298 0.006 1 438 34 38 ILE HA H 4.274 0.007 1 439 34 38 ILE HB H 1.877 0.005 1 440 34 38 ILE HG12 H 1.192 0.002 2 441 34 38 ILE HG13 H 1.453 0.004 2 442 34 38 ILE HG2 H 0.893 0.006 1 443 34 38 ILE HD1 H 0.856 0.003 1 444 34 38 ILE C C 176.246 0.001 1 445 34 38 ILE CA C 60.863 0.02 1 446 34 38 ILE CB C 38.835 0.075 1 447 34 38 ILE CG1 C 27.085 0.004 1 448 34 38 ILE CG2 C 17.309 0.038 1 449 34 38 ILE CD1 C 12.888 0.077 1 450 34 38 ILE N N 122.947 0.04 1 451 35 39 THR H H 8.417 0.005 1 452 35 39 THR HA H 4.606 0.001 1 453 35 39 THR HB H 4.148 0.007 1 454 35 39 THR HG2 H 1.256 0.002 1 455 35 39 THR C C 172.856 . 1 456 35 39 THR CA C 59.904 0.027 1 457 35 39 THR CB C 69.501 0.066 1 458 35 39 THR CG2 C 21.396 0.027 1 459 35 39 THR N N 121.868 0.041 1 460 36 40 PRO HA H 4.403 0.006 1 461 36 40 PRO HB2 H 1.950 0.013 2 462 36 40 PRO HB3 H 2.355 0.009 2 463 36 40 PRO HG2 H 2.012 0.003 2 464 36 40 PRO HG3 H 2.089 0.001 2 465 36 40 PRO HD2 H 3.920 0.01 2 466 36 40 PRO HD3 H 3.750 0.011 2 467 36 40 PRO C C 177.279 0.0 1 468 36 40 PRO CA C 63.625 0.013 1 469 36 40 PRO CB C 32.141 0.027 1 470 36 40 PRO CG C 27.369 0.029 1 471 36 40 PRO CD C 50.993 0.075 1 472 37 41 SER H H 8.436 0.006 1 473 37 41 SER HA H 4.360 0.004 1 474 37 41 SER HB2 H 3.877 0.006 1 475 37 41 SER HB3 H 3.877 0.006 1 476 37 41 SER C C 174.839 0.003 1 477 37 41 SER CA C 58.988 0.024 1 478 37 41 SER CB C 63.515 0.042 1 479 37 41 SER N N 115.908 0.035 1 480 38 42 GLU H H 8.472 0.003 1 481 38 42 GLU HA H 4.287 0.006 1 482 38 42 GLU HB2 H 1.980 0.013 2 483 38 42 GLU HB3 H 2.048 0.007 2 484 38 42 GLU HG2 H 2.256 0.007 1 485 38 42 GLU HG3 H 2.256 0.007 1 486 38 42 GLU C C 176.308 0.004 1 487 38 42 GLU CA C 56.679 0.026 1 488 38 42 GLU CB C 30.152 0.006 1 489 38 42 GLU CG C 36.276 . 1 490 38 42 GLU N N 122.567 0.033 1 491 39 43 LEU H H 8.173 0.005 1 492 39 43 LEU HA H 4.342 0.011 1 493 39 43 LEU HB2 H 1.607 0.01 1 494 39 43 LEU HB3 H 1.607 0.01 1 495 39 43 LEU HG H 1.619 0.001 1 496 39 43 LEU HD1 H 0.866 0.002 2 497 39 43 LEU HD2 H 0.921 0.003 2 498 39 43 LEU C C 177.123 0.004 1 499 39 43 LEU CA C 55.224 0.013 1 500 39 43 LEU CB C 42.217 0.023 1 501 39 43 LEU CG C 27.001 . 1 502 39 43 LEU CD1 C 23.336 0.065 2 503 39 43 LEU CD2 C 24.865 . 2 504 39 43 LEU N N 122.628 0.064 1 505 40 44 VAL H H 8.045 0.006 1 506 40 44 VAL HA H 4.133 0.007 1 507 40 44 VAL HB H 2.057 0.007 1 508 40 44 VAL HG1 H 0.911 0.005 2 509 40 44 VAL HG2 H 0.930 0.011 2 510 40 44 VAL C C 175.914 0.009 1 511 40 44 VAL CA C 62.036 0.02 1 512 40 44 VAL CB C 32.799 0.006 1 513 40 44 VAL CG1 C 20.939 0.061 2 514 40 44 VAL CG2 C 20.615 0.074 2 515 40 44 VAL N N 121.330 0.062 1 516 41 45 SER H H 8.479 0.008 1 517 41 45 SER HA H 4.757 0.007 1 518 41 45 SER HB2 H 3.883 . 1 519 41 45 SER HB3 H 3.883 . 1 520 41 45 SER C C 172.547 . 1 521 41 45 SER CA C 56.092 0.01 1 522 41 45 SER CB C 63.318 0.005 1 523 41 45 SER N N 121.548 0.088 1 524 42 46 PRO HA H 4.521 0.008 1 525 42 46 PRO HB2 H 2.301 0.008 2 526 42 46 PRO HB3 H 1.920 0.005 2 527 42 46 PRO HG2 H 2.019 0.007 1 528 42 46 PRO HG3 H 2.019 0.007 1 529 42 46 PRO HD2 H 3.753 0.005 2 530 42 46 PRO HD3 H 3.832 0.01 2 531 42 46 PRO C C 176.841 0.01 1 532 42 46 PRO CA C 63.061 0.049 1 533 42 46 PRO CB C 32.111 0.011 1 534 42 46 PRO CG C 27.239 . 1 535 42 46 PRO CD C 50.719 0.069 1 536 43 47 THR H H 8.394 0.008 1 537 43 47 THR HA H 4.566 0.004 1 538 43 47 THR HB H 4.156 0.002 1 539 43 47 THR HG2 H 1.256 0.003 1 540 43 47 THR C C 172.979 . 1 541 43 47 THR CA C 59.908 0.046 1 542 43 47 THR CB C 69.668 0.003 1 543 43 47 THR CG2 C 21.411 0.074 1 544 43 47 THR N N 117.598 0.041 1 545 44 48 PRO HA H 4.444 0.007 1 546 44 48 PRO HB2 H 1.915 0.01 2 547 44 48 PRO HB3 H 2.329 0.006 2 548 44 48 PRO HG2 H 2.068 0.008 1 549 44 48 PRO HG3 H 2.068 0.008 1 550 44 48 PRO HD2 H 3.712 0.005 2 551 44 48 PRO HD3 H 3.876 0.005 2 552 44 48 PRO C C 176.975 0.005 1 553 44 48 PRO CA C 63.282 0.066 1 554 44 48 PRO CB C 32.145 0.025 1 555 44 48 PRO CG C 27.331 . 1 556 44 48 PRO CD C 50.989 0.047 1 557 45 49 SER H H 8.528 0.007 1 558 45 49 SER HA H 4.416 0.008 1 559 45 49 SER HB2 H 3.881 0.006 1 560 45 49 SER HB3 H 3.881 0.006 1 561 45 49 SER C C 174.819 0.015 1 562 45 49 SER CA C 58.406 0.038 1 563 45 49 SER CB C 63.814 0.005 1 564 45 49 SER N N 116.607 0.065 1 565 46 50 ARG H H 8.497 0.005 1 566 46 50 ARG HA H 4.346 0.009 1 567 46 50 ARG HB2 H 1.775 0.01 2 568 46 50 ARG HB3 H 1.895 0.008 2 569 46 50 ARG HG2 H 1.678 0.004 1 570 46 50 ARG HG3 H 1.678 0.004 1 571 46 50 ARG HD2 H 3.207 0.006 1 572 46 50 ARG HD3 H 3.207 0.006 1 573 46 50 ARG C C 176.294 0.002 1 574 46 50 ARG CA C 56.125 0.042 1 575 46 50 ARG CB C 30.626 0.009 1 576 46 50 ARG CG C 27.238 0.106 1 577 46 50 ARG CD C 43.240 . 1 578 46 50 ARG N N 123.526 0.029 1 579 47 51 ALA H H 8.406 0.004 1 580 47 51 ALA HA H 4.265 0.006 1 581 47 51 ALA HB H 1.380 0.005 1 582 47 51 ALA C C 177.746 0.009 1 583 47 51 ALA CA C 52.892 0.013 1 584 47 51 ALA CB C 18.986 0.078 1 585 47 51 ALA N N 124.981 0.058 1 586 48 52 ASN H H 8.466 0.003 1 587 48 52 ASN HA H 4.708 0.007 1 588 48 52 ASN HB2 H 2.786 0.013 2 589 48 52 ASN HB3 H 2.864 0.005 2 590 48 52 ASN HD21 H 6.999 0.002 1 591 48 52 ASN HD22 H 7.703 0.002 1 592 48 52 ASN C C 175.444 0.002 1 593 48 52 ASN CA C 53.367 0.036 1 594 48 52 ASN CB C 38.757 0.047 1 595 48 52 ASN CG C 176.996 . 1 596 48 52 ASN N N 117.842 0.032 1 597 48 52 ASN ND2 N 113.655 0.024 1 598 49 53 SER H H 8.289 0.003 1 599 49 53 SER HA H 4.439 0.007 1 600 49 53 SER HB2 H 3.876 0.006 2 601 49 53 SER HB3 H 3.950 0.011 2 602 49 53 SER C C 174.595 0.013 1 603 49 53 SER CA C 58.678 0.027 1 604 49 53 SER CB C 63.830 0.013 1 605 49 53 SER N N 116.404 0.039 1 606 50 54 ARG H H 8.439 0.003 1 607 50 54 ARG HA H 4.293 0.007 1 608 50 54 ARG HB2 H 1.867 0.015 2 609 50 54 ARG HB3 H 1.785 0.011 2 610 50 54 ARG HG2 H 1.651 0.01 1 611 50 54 ARG HG3 H 1.651 0.01 1 612 50 54 ARG HD2 H 3.219 0.003 1 613 50 54 ARG HD3 H 3.219 0.003 1 614 50 54 ARG C C 176.506 0.006 1 615 50 54 ARG CA C 56.690 0.052 1 616 50 54 ARG CB C 30.390 0.01 1 617 50 54 ARG CG C 26.887 . 1 618 50 54 ARG CD C 43.187 . 1 619 50 54 ARG N N 122.878 0.042 1 620 51 55 ARG H H 8.380 0.003 1 621 51 55 ARG HA H 4.263 0.009 1 622 51 55 ARG HB2 H 1.857 0.008 2 623 51 55 ARG HB3 H 1.782 0.01 2 624 51 55 ARG HG2 H 1.650 0.002 1 625 51 55 ARG HG3 H 1.650 0.002 1 626 51 55 ARG HD2 H 3.206 0.01 1 627 51 55 ARG HD3 H 3.206 0.01 1 628 51 55 ARG C C 176.838 0.029 1 629 51 55 ARG CA C 56.760 0.032 1 630 51 55 ARG CB C 30.553 0.074 1 631 51 55 ARG CG C 26.982 . 1 632 51 55 ARG CD C 43.053 . 1 633 51 55 ARG N N 121.932 0.037 1 634 52 56 GLU H H 8.498 0.004 1 635 52 56 GLU HA H 4.239 0.011 1 636 52 56 GLU HB2 H 2.061 0.009 2 637 52 56 GLU HB3 H 1.990 0.008 2 638 52 56 GLU HG2 H 2.282 0.012 2 639 52 56 GLU HG3 H 2.315 0.012 2 640 52 56 GLU C C 177.085 0.01 1 641 52 56 GLU CA C 57.255 0.049 1 642 52 56 GLU CB C 29.873 0.035 1 643 52 56 GLU CG C 36.143 0.003 1 644 52 56 GLU N N 121.926 0.029 1 645 53 57 ILE H H 8.190 0.005 1 646 53 57 ILE HA H 4.085 0.004 1 647 53 57 ILE HB H 1.893 0.006 1 648 53 57 ILE HG12 H 1.198 0.003 2 649 53 57 ILE HG13 H 1.493 0.001 2 650 53 57 ILE HG2 H 0.914 0.003 1 651 53 57 ILE HD1 H 0.859 0.002 1 652 53 57 ILE C C 176.710 0.009 1 653 53 57 ILE CA C 61.938 0.047 1 654 53 57 ILE CB C 38.473 0.042 1 655 53 57 ILE CG1 C 27.351 0.017 1 656 53 57 ILE CG2 C 17.290 0.036 1 657 53 57 ILE CD1 C 13.137 0.068 1 658 53 57 ILE N N 121.113 0.036 1 659 54 58 GLU H H 8.496 0.003 1 660 54 58 GLU HA H 4.214 0.005 1 661 54 58 GLU HB2 H 2.007 0.008 1 662 54 58 GLU HB3 H 2.007 0.008 1 663 54 58 GLU HG2 H 2.324 0.003 2 664 54 58 GLU HG3 H 2.274 0.003 2 665 54 58 GLU C C 176.882 0.014 1 666 54 58 GLU CA C 57.456 0.037 1 667 54 58 GLU CB C 30.013 0.04 1 668 54 58 GLU CG C 36.227 0.001 1 669 54 58 GLU N N 123.837 0.057 1 670 55 59 SER H H 8.313 0.007 1 671 55 59 SER HA H 4.419 0.015 1 672 55 59 SER HB2 H 3.893 0.007 1 673 55 59 SER HB3 H 3.893 0.007 1 674 55 59 SER C C 174.891 . 1 675 55 59 SER CA C 58.895 0.008 1 676 55 59 SER CB C 63.588 0.012 1 677 55 59 SER N N 116.305 0.028 1 678 56 60 LEU H H 8.242 0.003 1 679 56 60 LEU HA H 4.352 0.007 1 680 56 60 LEU HB2 H 1.650 0.01 2 681 56 60 LEU HB3 H 1.707 0.007 2 682 56 60 LEU HG H 1.616 0.002 1 683 56 60 LEU HD1 H 0.880 0.018 2 684 56 60 LEU HD2 H 0.917 0.008 2 685 56 60 LEU C C 177.883 0.01 1 686 56 60 LEU CA C 55.840 0.045 1 687 56 60 LEU CB C 42.021 0.064 1 688 56 60 LEU CG C 26.941 . 1 689 56 60 LEU CD1 C 23.334 . 2 690 56 60 LEU CD2 C 24.766 . 2 691 56 60 LEU N N 124.447 0.03 1 692 57 61 ILE H H 8.091 0.003 1 693 57 61 ILE HA H 4.060 0.006 1 694 57 61 ILE HB H 1.881 0.003 1 695 57 61 ILE HG12 H 1.201 0.014 2 696 57 61 ILE HG13 H 1.497 0.017 2 697 57 61 ILE HG2 H 0.913 0.006 1 698 57 61 ILE HD1 H 0.859 0.002 1 699 57 61 ILE C C 176.388 0.005 1 700 57 61 ILE CA C 62.064 0.005 1 701 57 61 ILE CB C 38.505 0.003 1 702 57 61 ILE CG1 C 27.239 0.029 1 703 57 61 ILE CG2 C 17.295 0.07 1 704 57 61 ILE CD1 C 12.851 0.078 1 705 57 61 ILE N N 120.821 0.031 1 706 58 62 ASP H H 8.316 0.004 1 707 58 62 ASP HA H 4.571 0.007 1 708 58 62 ASP HB2 H 2.655 0.011 2 709 58 62 ASP HB3 H 2.713 0.011 2 710 58 62 ASP C C 176.833 0.01 1 711 58 62 ASP CA C 55.198 0.043 1 712 58 62 ASP CB C 40.896 0.056 1 713 58 62 ASP N N 123.170 0.029 1 714 59 63 SER H H 8.209 0.002 1 715 59 63 SER HA H 4.391 0.012 1 716 59 63 SER HB2 H 3.918 0.006 1 717 59 63 SER HB3 H 3.918 0.006 1 718 59 63 SER C C 175.216 0.022 1 719 59 63 SER CA C 59.228 0.077 1 720 59 63 SER CB C 63.634 0.005 1 721 59 63 SER N N 116.208 0.036 1 722 60 64 ILE H H 8.160 0.004 1 723 60 64 ILE HA H 4.111 0.007 1 724 60 64 ILE HB H 1.941 0.013 1 725 60 64 ILE HG12 H 1.172 0.009 2 726 60 64 ILE HG13 H 1.520 0.003 2 727 60 64 ILE HG2 H 0.913 0.003 1 728 60 64 ILE HD1 H 0.859 0.002 1 729 60 64 ILE C C 177.087 0.011 1 730 60 64 ILE CA C 62.245 0.076 1 731 60 64 ILE CB C 38.296 0.026 1 732 60 64 ILE CG1 C 27.492 . 1 733 60 64 ILE CG2 C 17.300 0.068 1 734 60 64 ILE CD1 C 12.910 0.067 1 735 60 64 ILE N N 122.768 0.032 1 736 61 65 LEU H H 8.286 0.003 1 737 61 65 LEU HA H 4.338 0.006 1 738 61 65 LEU HB2 H 1.601 0.006 2 739 61 65 LEU HB3 H 1.725 0.006 2 740 61 65 LEU HG H 1.648 0.005 1 741 61 65 LEU HD1 H 0.868 0.003 2 742 61 65 LEU HD2 H 0.923 0.002 2 743 61 65 LEU C C 177.989 0.012 1 744 61 65 LEU CA C 55.706 0.008 1 745 61 65 LEU CB C 42.020 0.01 1 746 61 65 LEU CG C 27.009 . 1 747 61 65 LEU CD1 C 23.240 . 2 748 61 65 LEU CD2 C 24.812 . 2 749 61 65 LEU N N 124.231 0.045 1 750 62 66 SER H H 8.259 0.006 1 751 62 66 SER HA H 4.453 0.009 1 752 62 66 SER HB2 H 3.900 0.009 2 753 62 66 SER HB3 H 3.959 0.009 2 754 62 66 SER C C 175.036 0.001 1 755 62 66 SER CA C 58.855 0.001 1 756 62 66 SER CB C 63.634 0.014 1 757 62 66 SER N N 115.992 0.04 1 758 63 67 SER H H 8.295 0.003 1 759 63 67 SER HA H 4.506 0.01 1 760 63 67 SER HB2 H 3.909 0.01 2 761 63 67 SER HB3 H 3.981 0.008 2 762 63 67 SER C C 174.949 0.002 1 763 63 67 SER CA C 58.757 0.006 1 764 63 67 SER CB C 63.749 0.007 1 765 63 67 SER N N 117.622 0.034 1 766 64 68 SER H H 8.325 0.002 1 767 64 68 SER HA H 4.483 0.007 1 768 64 68 SER HB2 H 3.879 0.005 2 769 64 68 SER HB3 H 3.917 0.01 2 770 64 68 SER C C 174.503 0.006 1 771 64 68 SER CA C 58.640 0.034 1 772 64 68 SER CB C 63.688 0.007 1 773 64 68 SER N N 117.785 0.034 1 774 65 69 ALA H H 8.284 0.004 1 775 65 69 ALA HA H 4.339 0.007 1 776 65 69 ALA HB H 1.422 0.005 1 777 65 69 ALA C C 178.342 0.001 1 778 65 69 ALA CA C 52.958 0.017 1 779 65 69 ALA CB C 19.014 0.068 1 780 65 69 ALA N N 125.847 0.029 1 781 66 70 GLY H H 8.364 0.003 1 782 66 70 GLY HA2 H 3.955 0.005 1 783 66 70 GLY HA3 H 3.955 0.005 1 784 66 70 GLY C C 174.336 0.004 1 785 66 70 GLY CA C 45.282 0.03 1 786 66 70 GLY N N 108.112 0.048 1 787 67 71 ALA H H 8.214 0.003 1 788 67 71 ALA HA H 4.281 0.007 1 789 67 71 ALA HB H 1.397 0.007 1 790 67 71 ALA C C 177.718 0.007 1 791 67 71 ALA CA C 52.924 0.01 1 792 67 71 ALA CB C 19.069 0.07 1 793 67 71 ALA N N 123.756 0.021 1 794 68 72 ASN H H 8.460 0.003 1 795 68 72 ASN HA H 4.741 0.006 1 796 68 72 ASN HB2 H 2.757 0.002 2 797 68 72 ASN HB3 H 2.860 0.004 2 798 68 72 ASN HD21 H 6.993 0.004 1 799 68 72 ASN HD22 H 7.658 0.003 1 800 68 72 ASN C C 174.875 0.007 1 801 68 72 ASN CA C 52.991 0.04 1 802 68 72 ASN CB C 38.883 0.07 1 803 68 72 ASN CG C 177.250 0.016 1 804 68 72 ASN N N 117.046 0.043 1 805 68 72 ASN ND2 N 113.914 0.037 1 806 69 73 SER H H 8.104 0.004 1 807 69 73 SER HA H 4.732 0.002 1 808 69 73 SER HB2 H 3.860 0.006 1 809 69 73 SER HB3 H 3.860 0.006 1 810 69 73 SER C C 172.689 . 1 811 69 73 SER CA C 56.561 0.05 1 812 69 73 SER CB C 63.300 0.025 1 813 69 73 SER N N 117.202 0.048 1 814 70 74 PRO HA H 4.448 0.006 1 815 70 74 PRO HB2 H 1.891 0.008 2 816 70 74 PRO HB3 H 2.305 0.008 2 817 70 74 PRO HG2 H 2.012 0.003 1 818 70 74 PRO HG3 H 2.012 0.003 1 819 70 74 PRO HD2 H 3.719 0.002 2 820 70 74 PRO HD3 H 3.831 0.005 2 821 70 74 PRO C C 176.893 0.005 1 822 70 74 PRO CA C 63.315 0.03 1 823 70 74 PRO CB C 32.055 0.011 1 824 70 74 PRO CG C 27.220 . 1 825 70 74 PRO CD C 50.709 0.067 1 826 71 75 ARG H H 8.488 0.006 1 827 71 75 ARG HA H 4.306 0.006 1 828 71 75 ARG HB2 H 1.778 0.008 2 829 71 75 ARG HB3 H 1.859 0.012 2 830 71 75 ARG HG2 H 1.655 0.001 1 831 71 75 ARG HG3 H 1.655 0.001 1 832 71 75 ARG HD2 H 3.202 0.002 1 833 71 75 ARG HD3 H 3.202 0.002 1 834 71 75 ARG C C 176.492 0.003 1 835 71 75 ARG CA C 56.084 0.033 1 836 71 75 ARG CB C 30.606 0.002 1 837 71 75 ARG CG C 26.874 . 1 838 71 75 ARG CD C 43.150 . 1 839 71 75 ARG N N 121.572 0.042 1 840 72 76 ARG H H 8.511 0.007 1 841 72 76 ARG HA H 4.338 0.006 1 842 72 76 ARG HB2 H 1.797 0.014 2 843 72 76 ARG HB3 H 1.864 0.014 2 844 72 76 ARG HG2 H 1.674 0.002 1 845 72 76 ARG HG3 H 1.674 0.002 1 846 72 76 ARG HD2 H 3.203 0.002 1 847 72 76 ARG HD3 H 3.203 0.002 1 848 72 76 ARG C C 176.819 0.01 1 849 72 76 ARG CA C 56.336 0.019 1 850 72 76 ARG CB C 30.760 0.007 1 851 72 76 ARG CG C 26.985 . 1 852 72 76 ARG CD C 43.153 . 1 853 72 76 ARG N N 123.157 0.051 1 854 73 77 GLY H H 8.571 0.004 1 855 73 77 GLY HA2 H 4.004 0.006 1 856 73 77 GLY HA3 H 4.004 0.006 1 857 73 77 GLY C C 174.013 0.006 1 858 73 77 GLY CA C 45.088 0.045 1 859 73 77 GLY N N 110.708 0.057 1 860 74 78 SER H H 8.299 0.004 1 861 74 78 SER HA H 4.457 0.007 1 862 74 78 SER HB2 H 3.855 0.006 1 863 74 78 SER HB3 H 3.855 0.006 1 864 74 78 SER C C 174.222 0.016 1 865 74 78 SER CA C 58.343 0.028 1 866 74 78 SER CB C 63.961 0.024 1 867 74 78 SER N N 115.813 0.036 1 868 75 79 ARG H H 8.473 0.004 1 869 75 79 ARG HA H 4.666 0.001 1 870 75 79 ARG HB2 H 1.759 0.013 2 871 75 79 ARG HB3 H 1.862 0.007 2 872 75 79 ARG HG2 H 1.694 . 1 873 75 79 ARG HG3 H 1.694 . 1 874 75 79 ARG HD2 H 3.219 . 1 875 75 79 ARG HD3 H 3.219 . 1 876 75 79 ARG C C 174.327 . 1 877 75 79 ARG CA C 54.027 0.019 1 878 75 79 ARG CB C 30.241 0.085 1 879 75 79 ARG CG C 27.016 . 1 880 75 79 ARG CD C 43.114 . 1 881 75 79 ARG N N 123.741 0.025 1 882 76 80 PRO HA H 4.422 0.006 1 883 76 80 PRO HB2 H 1.921 0.007 2 884 76 80 PRO HB3 H 2.313 0.007 2 885 76 80 PRO HG2 H 2.010 0.01 1 886 76 80 PRO HG3 H 2.010 0.01 1 887 76 80 PRO HD2 H 3.822 0.004 2 888 76 80 PRO HD3 H 3.642 0.001 2 889 76 80 PRO C C 176.682 0.005 1 890 76 80 PRO CA C 63.267 0.024 1 891 76 80 PRO CB C 32.050 0.01 1 892 76 80 PRO CG C 27.213 . 1 893 76 80 PRO CD C 50.445 0.036 1 894 77 81 ASN H H 8.658 0.005 1 895 77 81 ASN HA H 4.664 0.005 1 896 77 81 ASN HB2 H 2.851 0.008 2 897 77 81 ASN HB3 H 2.804 0.008 2 898 77 81 ASN HD21 H 7.692 0.002 1 899 77 81 ASN HD22 H 6.996 0.003 1 900 77 81 ASN C C 175.231 0.001 1 901 77 81 ASN CA C 53.479 0.025 1 902 77 81 ASN CB C 38.563 0.069 1 903 77 81 ASN CG C 177.032 . 1 904 77 81 ASN N N 118.897 0.042 1 905 77 81 ASN ND2 N 113.826 0.015 1 906 78 82 SER H H 8.254 0.004 1 907 78 82 SER HA H 4.464 0.007 1 908 78 82 SER HB2 H 3.857 0.007 1 909 78 82 SER HB3 H 3.857 0.007 1 910 78 82 SER C C 174.283 0.001 1 911 78 82 SER CA C 58.393 0.058 1 912 78 82 SER CB C 63.846 0.029 1 913 78 82 SER N N 115.987 0.031 1 914 79 83 VAL H H 8.228 0.004 1 915 79 83 VAL HA H 4.150 0.01 1 916 79 83 VAL HB H 2.081 0.013 1 917 79 83 VAL HG1 H 0.915 0.009 2 918 79 83 VAL HG2 H 0.928 0.008 2 919 79 83 VAL C C 176.131 0.0 1 920 79 83 VAL CA C 62.404 0.027 1 921 79 83 VAL CB C 32.589 0.033 1 922 79 83 VAL CG1 C 21.119 0.017 2 923 79 83 VAL CG2 C 20.284 0.017 2 924 79 83 VAL N N 122.040 0.03 1 925 80 84 ILE H H 8.287 0.006 1 926 80 84 ILE HA H 4.217 0.007 1 927 80 84 ILE HB H 1.868 0.006 1 928 80 84 ILE HG12 H 1.190 0.002 2 929 80 84 ILE HG13 H 1.484 0.002 2 930 80 84 ILE HG2 H 0.914 0.006 1 931 80 84 ILE HD1 H 0.852 0.005 1 932 80 84 ILE C C 176.308 0.004 1 933 80 84 ILE CA C 60.965 0.032 1 934 80 84 ILE CB C 38.565 0.008 1 935 80 84 ILE CG1 C 27.237 0.024 1 936 80 84 ILE CG2 C 17.267 0.026 1 937 80 84 ILE CD1 C 12.828 0.063 1 938 80 84 ILE N N 124.844 0.041 1 939 81 85 SER H H 8.532 0.006 1 940 81 85 SER HA H 4.573 0.006 1 941 81 85 SER HB2 H 3.886 0.009 1 942 81 85 SER HB3 H 3.886 0.009 1 943 81 85 SER C C 174.853 0.011 1 944 81 85 SER CA C 58.123 0.028 1 945 81 85 SER CB C 63.830 0.01 1 946 81 85 SER N N 120.684 0.058 1 947 82 86 THR H H 8.326 0.004 1 948 82 86 THR HA H 4.371 0.012 1 949 82 86 THR HB H 4.331 0.012 1 950 82 86 THR HG2 H 1.226 0.004 1 951 82 86 THR C C 175.266 0.003 1 952 82 86 THR CA C 62.044 0.054 1 953 82 86 THR CB C 69.588 0.052 1 954 82 86 THR CG2 C 21.402 0.048 1 955 82 86 THR N N 115.781 0.028 1 956 83 87 GLY H H 8.444 0.002 1 957 83 87 GLY HA2 H 3.935 0.014 2 958 83 87 GLY HA3 H 4.021 0.007 2 959 83 87 GLY C C 174.039 0.0 1 960 83 87 GLY CA C 45.273 0.025 1 961 83 87 GLY N N 111.023 0.034 1 962 84 88 GLU H H 8.286 0.002 1 963 84 88 GLU HA H 4.286 0.006 1 964 84 88 GLU HB2 H 1.921 0.009 2 965 84 88 GLU HB3 H 2.048 0.008 2 966 84 88 GLU HG2 H 2.252 0.003 1 967 84 88 GLU HG3 H 2.252 0.003 1 968 84 88 GLU C C 176.412 0.002 1 969 84 88 GLU CA C 56.446 0.02 1 970 84 88 GLU CB C 30.345 0.006 1 971 84 88 GLU CG C 36.147 . 1 972 84 88 GLU N N 120.677 0.024 1 973 85 89 LEU H H 8.409 0.006 1 974 85 89 LEU HA H 4.414 0.006 1 975 85 89 LEU HB2 H 1.668 0.007 2 976 85 89 LEU HB3 H 1.607 0.008 2 977 85 89 LEU HG H 1.606 0.0 1 978 85 89 LEU HD1 H 0.866 0.003 2 979 85 89 LEU HD2 H 0.928 0.007 2 980 85 89 LEU C C 177.369 0.002 1 981 85 89 LEU CA C 54.925 0.023 1 982 85 89 LEU CB C 42.448 0.003 1 983 85 89 LEU CG C 26.967 . 1 984 85 89 LEU CD1 C 23.317 0.018 2 985 85 89 LEU CD2 C 24.855 . 2 986 85 89 LEU N N 123.257 0.025 1 987 86 90 SER H H 8.448 0.006 1 988 86 90 SER HA H 4.552 0.007 1 989 86 90 SER HB2 H 3.892 0.007 1 990 86 90 SER HB3 H 3.892 0.007 1 991 86 90 SER C C 174.808 0.01 1 992 86 90 SER CA C 58.158 0.03 1 993 86 90 SER CB C 63.842 0.008 1 994 86 90 SER N N 117.404 0.06 1 995 87 91 THR H H 8.339 0.003 1 996 87 91 THR HA H 4.421 0.01 1 997 87 91 THR HB H 4.376 0.014 1 998 87 91 THR HG2 H 1.188 0.003 1 999 87 91 THR C C 173.656 0.013 1 1000 87 91 THR CA C 61.401 0.06 1 1001 87 91 THR CB C 69.726 0.019 1 1002 87 91 THR CG2 C 21.203 0.036 1 1003 87 91 THR N N 115.646 0.048 1 1004 88 92 ASP H H 8.017 0.002 1 1005 88 92 ASP HA H 4.408 0.007 1 1006 88 92 ASP HB2 H 2.549 0.003 2 1007 88 92 ASP HB3 H 2.694 0.01 2 1008 88 92 ASP C C 180.895 . 1 1009 88 92 ASP CA C 56.049 0.03 1 1010 88 92 ASP CB C 41.965 0.046 1 1011 88 92 ASP N N 127.854 0.025 1 stop_ save_