data_5982 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Complete 1H, 13C and 15N assignments of a monomeric, biologically active apolipoprotein E carboxyl-terminal domain ; _BMRB_accession_number 5982 _BMRB_flat_file_name bmr5982.str _Entry_type original _Submission_date 2003-10-23 _Accession_date 2003-10-23 _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 Fan Daping . . 2 Korando Leslie A. . 3 Dothager Robin S. . 4 Li Qianqian . . 5 Wang Jianjun . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 544 "13C chemical shifts" 382 "15N chemical shifts" 95 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-07-06 original author . stop_ _Original_release_date 2004-07-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: Complete 1H, 13C and 15N assignments of a monomeric, biologically active apolipoprotein E carboxyl-terminal domain ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15213448 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Fan Daping . . 2 Korando Leslie A. . 3 Dothager Robin S. . 4 Li Qianqian . . 5 Wang Jianjun . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 29 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 419 _Page_last 420 _Year 2004 _Details . loop_ _Keyword 'apolipoprotein E' 'carboxyl-terminal domain' 'NMR assignment' stop_ save_ ################################## # Molecular system description # ################################## save_system_apoE _Saveframe_category molecular_system _Mol_system_name apolipoprotein _Abbreviation_common apoE _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'apoE C-terminal domain' $apoE stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'human lipoprotein metabolism' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_apoE _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'apolipoprotein E' _Abbreviation_common apoE _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 100 _Mol_residue_sequence ; GQPLQERAQAWGERLRARME EMGSRTRDRLDEVKEQVAEV RAKLEEQAQQIRLQAEAAQA RLKSRFEPLAEDMQRQWAGQ VEKVQAAEGTSAAPVPSDNH ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 GLN 3 PRO 4 LEU 5 GLN 6 GLU 7 ARG 8 ALA 9 GLN 10 ALA 11 TRP 12 GLY 13 GLU 14 ARG 15 LEU 16 ARG 17 ALA 18 ARG 19 MET 20 GLU 21 GLU 22 MET 23 GLY 24 SER 25 ARG 26 THR 27 ARG 28 ASP 29 ARG 30 LEU 31 ASP 32 GLU 33 VAL 34 LYS 35 GLU 36 GLN 37 VAL 38 ALA 39 GLU 40 VAL 41 ARG 42 ALA 43 LYS 44 LEU 45 GLU 46 GLU 47 GLN 48 ALA 49 GLN 50 GLN 51 ILE 52 ARG 53 LEU 54 GLN 55 ALA 56 GLU 57 ALA 58 ALA 59 GLN 60 ALA 61 ARG 62 LEU 63 LYS 64 SER 65 ARG 66 PHE 67 GLU 68 PRO 69 LEU 70 ALA 71 GLU 72 ASP 73 MET 74 GLN 75 ARG 76 GLN 77 TRP 78 ALA 79 GLY 80 GLN 81 VAL 82 GLU 83 LYS 84 VAL 85 GLN 86 ALA 87 ALA 88 GLU 89 GLY 90 THR 91 SER 92 ALA 93 ALA 94 PRO 95 VAL 96 PRO 97 SER 98 ASP 99 ASN 100 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 15744 Apolipoprotein_E 100.00 308 100.00 100.00 2.67e-59 PDB 2L7B "Nmr Structure Of Full Length Apoe3" 100.00 307 100.00 100.00 3.03e-59 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $apoE Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $apoE 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $apoE 1 mM . 'phosphate buffer' 200 mM . NaN3 0.01 % . TFE 30 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer VARIAN _Model INOVA _Field_strength 500 _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.2 0.02 M pH 5.7 0.1 n/a temperature 283 0.2 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'apoE C-terminal domain' _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 GLY CA C 42.710 0.05 . 2 . 1 GLY C C 173.640 0.05 . 3 . 2 GLN N N 120.260 0.05 . 4 . 2 GLN H H 8.511 0.02 . 5 . 2 GLN CA C 53.440 0.05 . 6 . 2 GLN HA H 4.500 0.02 . 7 . 2 GLN CB C 28.740 0.05 . 8 . 2 GLN HB2 H 1.740 0.02 . 9 . 2 GLN HB3 H 1.710 0.02 . 10 . 2 GLN HG2 H 2.200 0.02 . 11 . 2 GLN HG3 H 2.190 0.02 . 12 . 2 GLN HE21 H 8.440 0.02 . 13 . 2 GLN HE22 H 7.870 0.02 . 14 . 3 PRO CA C 63.630 0.05 . 15 . 3 PRO HA H 4.210 0.02 . 16 . 3 PRO CB C 31.450 0.05 . 17 . 3 PRO HB2 H 2.150 0.02 . 18 . 3 PRO HB3 H 2.110 0.02 . 19 . 3 PRO CG C 27.020 0.05 . 20 . 3 PRO HG2 H 1.860 0.02 . 21 . 3 PRO HG3 H 1.740 0.02 . 22 . 3 PRO CD C 50.140 0.05 . 23 . 3 PRO HD2 H 3.570 0.02 . 24 . 3 PRO HD3 H 3.540 0.02 . 25 . 3 PRO C C 176.550 0.05 . 26 . 4 LEU N N 120.458 0.05 . 27 . 4 LEU H H 8.204 0.02 . 28 . 4 LEU CA C 56.545 0.05 . 29 . 4 LEU HA H 3.950 0.02 . 30 . 4 LEU CB C 41.355 0.05 . 31 . 4 LEU HB2 H 1.470 0.02 . 32 . 4 LEU HB3 H 1.420 0.02 . 33 . 4 LEU CG C 26.780 0.05 . 34 . 4 LEU HG H 1.350 0.02 . 35 . 4 LEU CD1 C 23.570 0.05 . 36 . 4 LEU HD1 H 0.720 0.02 . 37 . 4 LEU CD2 C 23.170 0.05 . 38 . 4 LEU HD2 H 0.670 0.02 . 39 . 4 LEU C C 177.800 0.05 . 40 . 5 GLN N N 118.308 0.05 . 41 . 5 GLN H H 8.026 0.02 . 42 . 5 GLN CA C 57.195 0.05 . 43 . 5 GLN HA H 3.920 0.02 . 44 . 5 GLN CB C 28.415 0.05 . 45 . 5 GLN HB2 H 1.930 0.02 . 46 . 5 GLN HB3 H 1.860 0.02 . 47 . 5 GLN CG C 33.440 0.05 . 48 . 5 GLN HG2 H 2.210 0.02 . 49 . 5 GLN HG3 H 2.140 0.02 . 50 . 5 GLN HE21 H 7.890 0.02 . 51 . 5 GLN HE22 H 7.700 0.02 . 52 . 5 GLN C C 176.830 0.05 . 53 . 6 GLU N N 119.406 0.05 . 54 . 6 GLU H H 7.975 0.02 . 55 . 6 GLU CA C 57.392 0.05 . 56 . 6 GLU HA H 3.930 0.02 . 57 . 6 GLU CB C 29.193 0.05 . 58 . 6 GLU HB2 H 2.090 0.02 . 59 . 6 GLU HB3 H 2.050 0.02 . 60 . 6 GLU CG C 35.330 0.05 . 61 . 6 GLU HG2 H 2.170 0.02 . 62 . 6 GLU HG3 H 2.140 0.02 . 63 . 6 GLU C C 177.520 0.05 . 64 . 7 ARG N N 120.181 0.05 . 65 . 7 ARG H H 7.845 0.02 . 66 . 7 ARG CA C 57.135 0.05 . 67 . 7 ARG HA H 3.920 0.02 . 68 . 7 ARG CB C 29.720 0.05 . 69 . 7 ARG HB2 H 1.620 0.02 . 70 . 7 ARG HB3 H 1.600 0.02 . 71 . 7 ARG CG C 26.760 0.05 . 72 . 7 ARG HG2 H 1.420 0.02 . 73 . 7 ARG HG3 H 1.380 0.02 . 74 . 7 ARG CD C 42.830 0.05 . 75 . 7 ARG HD2 H 2.910 0.02 . 76 . 7 ARG HD3 H 2.920 0.02 . 77 . 7 ARG C C 176.730 0.05 . 78 . 8 ALA N N 122.279 0.05 . 79 . 8 ALA H H 7.975 0.02 . 80 . 8 ALA CA C 53.530 0.05 . 81 . 8 ALA HA H 3.910 0.02 . 82 . 8 ALA CB C 17.895 0.05 . 83 . 8 ALA HB H 1.190 0.02 . 84 . 8 ALA C C 178.740 0.05 . 85 . 9 GLN N N 117.580 0.05 . 86 . 9 GLN H H 7.869 0.02 . 87 . 9 GLN CA C 56.783 0.05 . 88 . 9 GLN HA H 3.930 0.02 . 89 . 9 GLN CB C 28.220 0.05 . 90 . 9 GLN HB2 H 1.850 0.02 . 91 . 9 GLN HB3 H 1.800 0.02 . 92 . 9 GLN CG C 33.420 0.05 . 93 . 9 GLN HG2 H 2.190 0.02 . 94 . 9 GLN HG3 H 2.130 0.02 . 95 . 9 GLN C C 176.630 0.05 . 96 . 10 ALA N N 122.528 0.05 . 97 . 10 ALA H H 7.805 0.02 . 98 . 10 ALA CA C 53.253 0.05 . 99 . 10 ALA HA H 3.910 0.02 . 100 . 10 ALA CB C 18.053 0.05 . 101 . 10 ALA HB H 1.170 0.02 . 102 . 10 ALA C C 178.930 0.05 . 103 . 11 TRP N N 117.598 0.05 . 104 . 11 TRP H H 7.856 0.02 . 105 . 11 TRP CA C 56.520 0.05 . 106 . 11 TRP HA H 4.050 0.02 . 107 . 11 TRP CB C 29.310 0.05 . 108 . 11 TRP HB2 H 2.180 0.02 . 109 . 11 TRP HB3 H 1.870 0.02 . 110 . 11 TRP HD1 H 7.924 0.02 . 111 . 11 TRP HE1 H 9.420 0.02 . 112 . 11 TRP HE3 H 7.120 0.02 . 113 . 11 TRP HZ2 H 6.930 0.02 . 114 . 11 TRP HZ3 H 6.750 0.02 . 115 . 11 TRP HH2 H 6.900 0.02 . 116 . 11 TRP C C 176.620 0.05 . 117 . 12 GLY N N 109.213 0.05 . 118 . 12 GLY H H 8.087 0.02 . 119 . 12 GLY CA C 45.055 0.05 . 120 . 12 GLY HA2 H 3.770 0.02 . 121 . 12 GLY HA3 H 3.750 0.02 . 122 . 12 GLY C C 173.110 0.05 . 123 . 13 GLU N N 124.931 0.05 . 124 . 13 GLU H H 7.496 0.02 . 125 . 13 GLU CA C 56.565 0.05 . 126 . 13 GLU HA H 4.100 0.02 . 127 . 13 GLU CB C 31.260 0.05 . 128 . 13 GLU HB2 H 1.870 0.02 . 129 . 13 GLU HB3 H 1.780 0.02 . 130 . 13 GLU CG C 35.290 0.05 . 131 . 13 GLU HG2 H 2.150 0.02 . 132 . 13 GLU HG3 H 2.100 0.02 . 133 . 13 GLU C C 177.260 0.05 . 134 . 14 ARG N N 121.098 0.05 . 135 . 14 ARG H H 8.417 0.02 . 136 . 14 ARG CA C 57.780 0.05 . 137 . 14 ARG HA H 3.980 0.02 . 138 . 14 ARG CB C 29.520 0.05 . 139 . 14 ARG HB2 H 2.210 0.02 . 140 . 14 ARG HB3 H 1.920 0.02 . 141 . 14 ARG CG C 26.620 0.05 . 142 . 14 ARG HG2 H 1.400 0.02 . 143 . 14 ARG CD C 42.810 0.05 . 144 . 14 ARG HD2 H 2.920 0.02 . 145 . 14 ARG C C 175.650 0.05 . 146 . 15 LEU N N 122.836 0.05 . 147 . 15 LEU H H 7.952 0.02 . 148 . 15 LEU CA C 54.865 0.05 . 149 . 15 LEU HA H 4.120 0.02 . 150 . 15 LEU CB C 41.713 0.05 . 151 . 15 LEU HB2 H 1.450 0.02 . 152 . 15 LEU HB3 H 1.400 0.02 . 153 . 15 LEU CG C 26.480 0.05 . 154 . 15 LEU HG H 1.210 0.02 . 155 . 15 LEU CD1 C 24.350 0.05 . 156 . 15 LEU HD1 H 0.670 0.02 . 157 . 15 LEU CD2 C 22.350 0.05 . 158 . 15 LEU HD2 H 0.610 0.02 . 159 . 15 LEU C C 175.960 0.05 . 160 . 16 ARG N N 124.904 0.05 . 161 . 16 ARG H H 7.380 0.02 . 162 . 16 ARG CA C 57.340 0.05 . 163 . 16 ARG HA H 3.790 0.02 . 164 . 16 ARG CB C 31.320 0.05 . 165 . 16 ARG HB2 H 1.760 0.02 . 166 . 16 ARG HB3 H 1.630 0.02 . 167 . 16 ARG HG2 H 1.490 0.02 . 168 . 16 ARG HG3 H 1.390 0.02 . 169 . 16 ARG CD C 40.400 0.05 . 170 . 16 ARG HD2 H 2.810 0.02 . 171 . 16 ARG C C 173.600 0.05 . 172 . 17 ALA N N 125.725 0.05 . 173 . 17 ALA H H 7.973 0.02 . 174 . 17 ALA CA C 51.630 0.05 . 175 . 17 ALA HA H 3.870 0.02 . 176 . 17 ALA CB C 18.935 0.05 . 177 . 17 ALA HB H 1.160 0.02 . 178 . 17 ALA C C 179.070 0.05 . 179 . 18 ARG N N 117.530 0.05 . 180 . 18 ARG H H 7.860 0.02 . 181 . 18 ARG CA C 56.020 0.05 . 182 . 18 ARG HA H 3.780 0.02 . 183 . 18 ARG CB C 28.687 0.05 . 184 . 18 ARG HB2 H 1.950 0.02 . 185 . 18 ARG HB3 H 1.940 0.02 . 186 . 18 ARG CG C 28.390 0.05 . 187 . 18 ARG HG2 H 1.690 0.02 . 188 . 18 ARG HG3 H 1.680 0.02 . 189 . 18 ARG HD2 H 3.050 0.02 . 190 . 18 ARG HD3 H 3.020 0.02 . 191 . 18 ARG C C 173.910 0.05 . 192 . 19 MET N N 122.310 0.05 . 193 . 19 MET H H 8.362 0.02 . 194 . 19 MET CA C 54.838 0.05 . 195 . 19 MET HA H 3.940 0.02 . 196 . 19 MET CB C 32.332 0.05 . 197 . 19 MET HB2 H 2.000 0.02 . 198 . 19 MET HB3 H 1.970 0.02 . 199 . 19 MET CG C 30.440 0.05 . 200 . 19 MET HG2 H 2.460 0.02 . 201 . 19 MET HG3 H 2.400 0.02 . 202 . 19 MET CE C 29.870 0.05 . 203 . 19 MET HE H 1.930 0.02 . 204 . 19 MET C C 171.800 0.05 . 205 . 20 GLU N N 123.374 0.05 . 206 . 20 GLU H H 8.637 0.02 . 207 . 20 GLU CA C 55.890 0.05 . 208 . 20 GLU HA H 4.190 0.02 . 209 . 20 GLU CB C 29.787 0.05 . 210 . 20 GLU HB2 H 1.860 0.02 . 211 . 20 GLU HB3 H 1.750 0.02 . 212 . 20 GLU CG C 35.270 0.05 . 213 . 20 GLU HG2 H 2.150 0.02 . 214 . 20 GLU HG3 H 2.080 0.02 . 215 . 20 GLU C C 175.460 0.05 . 216 . 21 GLU N N 122.321 0.05 . 217 . 21 GLU H H 8.521 0.02 . 218 . 21 GLU CA C 56.267 0.05 . 219 . 21 GLU HA H 4.100 0.02 . 220 . 21 GLU CB C 29.633 0.05 . 221 . 21 GLU HB2 H 1.850 0.02 . 222 . 21 GLU HB3 H 1.780 0.02 . 223 . 21 GLU CG C 35.260 0.05 . 224 . 21 GLU HG2 H 2.120 0.02 . 225 . 21 GLU HG3 H 2.090 0.02 . 226 . 21 GLU C C 176.310 0.05 . 227 . 22 MET N N 121.294 0.05 . 228 . 22 MET H H 8.387 0.02 . 229 . 22 MET CA C 55.767 0.05 . 230 . 22 MET HA H 4.230 0.02 . 231 . 22 MET CB C 31.913 0.05 . 232 . 22 MET HB2 H 2.250 0.02 . 233 . 22 MET HB3 H 1.890 0.02 . 234 . 22 MET CG C 31.340 0.05 . 235 . 22 MET HG2 H 2.410 0.02 . 236 . 22 MET HG3 H 2.380 0.02 . 237 . 22 MET C C 176.860 0.05 . 238 . 23 GLY N N 110.195 0.05 . 239 . 23 GLY H H 8.392 0.02 . 240 . 23 GLY CA C 44.913 0.05 . 241 . 23 GLY HA2 H 3.800 0.02 . 242 . 23 GLY HA3 H 3.780 0.02 . 243 . 23 GLY C C 173.630 0.05 . 244 . 24 SER N N 115.079 0.05 . 245 . 24 SER H H 7.944 0.02 . 246 . 24 SER CA C 57.830 0.05 . 247 . 24 SER HA H 4.280 0.02 . 248 . 24 SER CB C 63.550 0.05 . 249 . 24 SER HB2 H 3.690 0.02 . 250 . 24 SER HB3 H 3.680 0.02 . 251 . 24 SER C C 173.280 0.05 . 252 . 25 ARG N N 127.045 0.05 . 253 . 25 ARG H H 7.770 0.02 . 254 . 25 ARG CA C 57.730 0.05 . 255 . 25 ARG HA H 4.180 0.02 . 256 . 25 ARG CB C 29.983 0.05 . 257 . 25 ARG HB2 H 1.760 0.02 . 258 . 25 ARG HB3 H 1.720 0.02 . 259 . 25 ARG CG C 26.820 0.05 . 260 . 25 ARG HG2 H 1.510 0.02 . 261 . 25 ARG CD C 42.870 0.05 . 262 . 25 ARG HD2 H 3.040 0.02 . 263 . 25 ARG HD3 H 2.990 0.02 . 264 . 25 ARG C C 177.640 0.05 . 265 . 26 THR N N 114.979 0.05 . 266 . 26 THR H H 7.893 0.02 . 267 . 26 THR CA C 63.203 0.05 . 268 . 26 THR HA H 4.160 0.02 . 269 . 26 THR CB C 68.980 0.05 . 270 . 26 THR HB H 3.980 0.02 . 271 . 26 THR CG2 C 21.200 0.05 . 272 . 26 THR HG2 H 1.040 0.02 . 273 . 26 THR C C 174.660 0.05 . 274 . 27 ARG N N 121.810 0.05 . 275 . 27 ARG H H 8.029 0.02 . 276 . 27 ARG CA C 57.283 0.05 . 277 . 27 ARG HA H 3.590 0.02 . 278 . 27 ARG CB C 29.740 0.05 . 279 . 27 ARG HB2 H 1.740 0.02 . 280 . 27 ARG HB3 H 1.730 0.02 . 281 . 27 ARG CG C 29.700 0.05 . 282 . 27 ARG HG2 H 1.510 0.02 . 283 . 27 ARG HG3 H 1.500 0.02 . 284 . 27 ARG HD2 H 3.030 0.02 . 285 . 27 ARG HD3 H 3.020 0.02 . 286 . 27 ARG C C 177.300 0.05 . 287 . 28 ASP N N 120.187 0.05 . 288 . 28 ASP H H 8.016 0.02 . 289 . 28 ASP CA C 56.758 0.05 . 290 . 28 ASP HA H 3.990 0.02 . 291 . 28 ASP CB C 40.237 0.05 . 292 . 28 ASP HB2 H 2.600 0.02 . 293 . 28 ASP HB3 H 2.580 0.02 . 294 . 28 ASP C C 176.940 0.05 . 295 . 29 ARG N N 122.310 0.05 . 296 . 29 ARG H H 7.915 0.02 . 297 . 29 ARG CA C 56.100 0.05 . 298 . 29 ARG HA H 4.350 0.02 . 299 . 29 ARG CB C 31.977 0.05 . 300 . 29 ARG HB2 H 2.530 0.02 . 301 . 29 ARG HB3 H 2.500 0.02 . 302 . 29 ARG CG C 24.200 0.05 . 303 . 29 ARG HG2 H 1.680 0.02 . 304 . 29 ARG HG3 H 1.130 0.02 . 305 . 29 ARG C C 176.960 0.05 . 306 . 30 LEU N N 119.732 0.05 . 307 . 30 LEU H H 8.068 0.02 . 308 . 30 LEU CA C 53.833 0.05 . 309 . 30 LEU HA H 4.290 0.02 . 310 . 30 LEU CB C 40.193 0.05 . 311 . 30 LEU HB2 H 1.480 0.02 . 312 . 30 LEU HB3 H 1.470 0.02 . 313 . 30 LEU CG C 26.730 0.05 . 314 . 30 LEU HG H 1.460 0.02 . 315 . 30 LEU HD1 H 0.700 0.02 . 316 . 30 LEU HD2 H 0.690 0.02 . 317 . 30 LEU C C 178.460 0.05 . 318 . 31 ASP N N 118.730 0.05 . 319 . 31 ASP H H 8.086 0.02 . 320 . 31 ASP CA C 53.242 0.05 . 321 . 31 ASP HA H 4.330 0.02 . 322 . 31 ASP CB C 38.493 0.05 . 323 . 31 ASP HB2 H 2.650 0.02 . 324 . 31 ASP HB3 H 2.390 0.02 . 325 . 31 ASP C C 174.030 0.05 . 326 . 32 GLU N N 122.850 0.05 . 327 . 32 GLU H H 7.769 0.02 . 328 . 32 GLU CA C 55.923 0.05 . 329 . 32 GLU HA H 4.160 0.02 . 330 . 32 GLU CB C 29.075 0.05 . 331 . 32 GLU HB2 H 2.200 0.02 . 332 . 32 GLU HB3 H 2.150 0.02 . 333 . 32 GLU CG C 34.520 0.05 . 334 . 32 GLU HG2 H 2.280 0.02 . 335 . 32 GLU HG3 H 2.250 0.02 . 336 . 32 GLU C C 175.190 0.05 . 337 . 33 VAL N N 123.893 0.05 . 338 . 33 VAL H H 7.401 0.02 . 339 . 33 VAL CA C 63.145 0.05 . 340 . 33 VAL HA H 3.930 0.02 . 341 . 33 VAL CB C 32.765 0.05 . 342 . 33 VAL HB H 2.110 0.02 . 343 . 33 VAL CG1 C 18.100 0.05 . 344 . 33 VAL HG1 H 1.870 0.02 . 345 . 33 VAL CG2 C 17.970 0.05 . 346 . 33 VAL HG2 H 1.820 0.02 . 347 . 33 VAL C C 175.960 0.05 . 348 . 34 LYS N N 120.210 0.05 . 349 . 34 LYS H H 7.859 0.02 . 350 . 34 LYS CA C 59.120 0.05 . 351 . 34 LYS HA H 3.920 0.02 . 352 . 34 LYS CB C 32.360 0.05 . 353 . 34 LYS HB2 H 1.860 0.02 . 354 . 34 LYS HB3 H 1.850 0.02 . 355 . 34 LYS CG C 24.690 0.05 . 356 . 34 LYS HG2 H 1.470 0.02 . 357 . 34 LYS HG3 H 1.450 0.02 . 358 . 34 LYS CD C 28.920 0.05 . 359 . 34 LYS HD2 H 1.690 0.02 . 360 . 34 LYS HD3 H 1.670 0.02 . 361 . 34 LYS CE C 41.640 0.05 . 362 . 34 LYS HE2 H 2.150 0.02 . 363 . 34 LYS HE3 H 2.090 0.02 . 364 . 34 LYS C C 177.520 0.05 . 365 . 35 GLU N N 120.204 0.05 . 366 . 35 GLU H H 7.756 0.02 . 367 . 35 GLU CA C 56.783 0.05 . 368 . 35 GLU HA H 4.030 0.02 . 369 . 35 GLU CB C 29.130 0.05 . 370 . 35 GLU HB2 H 1.870 0.02 . 371 . 35 GLU HB3 H 1.830 0.02 . 372 . 35 GLU CG C 34.990 0.05 . 373 . 35 GLU HG2 H 2.180 0.02 . 374 . 35 GLU HG3 H 2.120 0.02 . 375 . 35 GLU C C 176.460 0.05 . 376 . 36 GLN N N 119.202 0.05 . 377 . 36 GLN H H 7.729 0.02 . 378 . 36 GLN CA C 56.420 0.05 . 379 . 36 GLN HA H 4.000 0.02 . 380 . 36 GLN CB C 29.235 0.05 . 381 . 36 GLN HB2 H 2.240 0.02 . 382 . 36 GLN HB3 H 2.190 0.02 . 383 . 36 GLN CG C 33.400 0.05 . 384 . 36 GLN HG2 H 2.510 0.02 . 385 . 36 GLN HG3 H 2.490 0.02 . 386 . 36 GLN HE21 H 7.690 0.02 . 387 . 36 GLN HE22 H 7.620 0.02 . 388 . 36 GLN C C 178.430 0.05 . 389 . 37 VAL N N 118.705 0.05 . 390 . 37 VAL H H 7.893 0.02 . 391 . 37 VAL CA C 62.993 0.05 . 392 . 37 VAL HA H 4.148 0.02 . 393 . 37 VAL CB C 31.775 0.05 . 394 . 37 VAL HB H 2.190 0.02 . 395 . 37 VAL CG1 C 18.900 0.05 . 396 . 37 VAL HG1 H 1.180 0.02 . 397 . 37 VAL CG2 C 18.790 0.05 . 398 . 37 VAL HG2 H 1.150 0.02 . 399 . 37 VAL C C 175.880 0.05 . 400 . 38 ALA N N 124.923 0.05 . 401 . 38 ALA H H 7.820 0.02 . 402 . 38 ALA CA C 52.230 0.05 . 403 . 38 ALA HA H 3.740 0.02 . 404 . 38 ALA CB C 18.627 0.05 . 405 . 38 ALA HB H 1.220 0.02 . 406 . 38 ALA C C 176.360 0.05 . 407 . 39 GLU N N 124.427 0.05 . 408 . 39 GLU H H 7.486 0.02 . 409 . 39 GLU CA C 56.817 0.05 . 410 . 39 GLU HA H 4.110 0.02 . 411 . 39 GLU CB C 31.283 0.05 . 412 . 39 GLU HB2 H 2.330 0.02 . 413 . 39 GLU HB3 H 2.310 0.02 . 414 . 39 GLU CG C 35.510 0.05 . 415 . 39 GLU HG2 H 2.430 0.02 . 416 . 39 GLU HG3 H 2.400 0.02 . 417 . 39 GLU C C 176.200 0.05 . 418 . 40 VAL N N 120.227 0.05 . 419 . 40 VAL H H 7.867 0.02 . 420 . 40 VAL CA C 62.585 0.05 . 421 . 40 VAL HA H 4.090 0.02 . 422 . 40 VAL CB C 31.670 0.05 . 423 . 40 VAL HB H 1.730 0.02 . 424 . 40 VAL HG1 H 0.870 0.02 . 425 . 40 VAL HG2 H 0.620 0.02 . 426 . 40 VAL C C 175.140 0.05 . 427 . 41 ARG N N 118.565 0.05 . 428 . 41 ARG H H 7.548 0.02 . 429 . 41 ARG CA C 58.430 0.05 . 430 . 41 ARG HA H 4.180 0.02 . 431 . 41 ARG CB C 34.270 0.05 . 432 . 41 ARG HB2 H 1.720 0.02 . 433 . 41 ARG HG2 H 1.570 0.02 . 434 . 41 ARG C C 175.970 0.05 . 435 . 42 ALA N N 125.355 0.05 . 436 . 42 ALA H H 8.190 0.02 . 437 . 42 ALA CA C 52.990 0.05 . 438 . 42 ALA HA H 3.980 0.02 . 439 . 42 ALA CB C 18.150 0.05 . 440 . 42 ALA HB H 1.310 0.02 . 441 . 42 ALA C C 179.810 0.05 . 442 . 43 LYS N N 118.676 0.05 . 443 . 43 LYS H H 7.878 0.02 . 444 . 43 LYS CA C 58.260 0.05 . 445 . 43 LYS HA H 4.200 0.02 . 446 . 43 LYS CB C 31.733 0.05 . 447 . 43 LYS HB2 H 2.170 0.02 . 448 . 43 LYS HB3 H 2.130 0.02 . 449 . 43 LYS CG C 20.560 0.05 . 450 . 43 LYS HG2 H 1.770 0.02 . 451 . 43 LYS HG3 H 1.720 0.02 . 452 . 43 LYS CD C 26.960 0.05 . 453 . 43 LYS HD2 H 1.900 0.02 . 454 . 43 LYS HD3 H 1.860 0.02 . 455 . 43 LYS C C 176.690 0.05 . 456 . 44 LEU N N 120.819 0.05 . 457 . 44 LEU H H 8.203 0.02 . 458 . 44 LEU CA C 56.727 0.05 . 459 . 44 LEU HA H 4.450 0.02 . 460 . 44 LEU CB C 41.225 0.05 . 461 . 44 LEU HB2 H 2.520 0.02 . 462 . 44 LEU HB3 H 2.490 0.02 . 463 . 44 LEU CG C 26.810 0.05 . 464 . 44 LEU HG H 1.490 0.02 . 465 . 44 LEU CD1 C 23.570 0.05 . 466 . 44 LEU HD1 H 0.710 0.02 . 467 . 44 LEU CD2 C 23.230 0.05 . 468 . 44 LEU HD2 H 0.685 0.02 . 469 . 44 LEU C C 178.090 0.05 . 470 . 45 GLU N N 118.625 0.05 . 471 . 45 GLU H H 7.996 0.02 . 472 . 45 GLU CA C 55.640 0.05 . 473 . 45 GLU HA H 4.120 0.02 . 474 . 45 GLU CB C 28.560 0.05 . 475 . 45 GLU HB2 H 2.170 0.02 . 476 . 45 GLU HB3 H 2.150 0.02 . 477 . 45 GLU CG C 33.490 0.05 . 478 . 45 GLU HG2 H 2.240 0.02 . 479 . 45 GLU HG3 H 2.210 0.02 . 480 . 45 GLU C C 174.660 0.05 . 481 . 46 GLU N N 126.527 0.05 . 482 . 46 GLU H H 7.574 0.02 . 483 . 46 GLU CA C 56.840 0.05 . 484 . 46 GLU HA H 4.450 0.02 . 485 . 46 GLU CB C 28.490 0.05 . 486 . 46 GLU HB2 H 2.240 0.02 . 487 . 46 GLU HB3 H 2.060 0.02 . 488 . 46 GLU CG C 33.670 0.05 . 489 . 46 GLU HG2 H 2.520 0.02 . 490 . 46 GLU HG3 H 2.430 0.02 . 491 . 46 GLU C C 176.300 0.05 . 492 . 47 GLN N N 115.667 0.05 . 493 . 47 GLN H H 7.779 0.02 . 494 . 47 GLN CA C 56.700 0.05 . 495 . 47 GLN HA H 4.400 0.02 . 496 . 47 GLN CB C 28.100 0.05 . 497 . 47 GLN HB2 H 2.280 0.02 . 498 . 47 GLN HB3 H 2.260 0.02 . 499 . 47 GLN CG C 31.990 0.05 . 500 . 47 GLN HG2 H 2.450 0.02 . 501 . 47 GLN HG3 H 2.410 0.02 . 502 . 47 GLN C C 177.120 0.05 . 503 . 48 ALA N N 122.495 0.05 . 504 . 48 ALA H H 7.908 0.02 . 505 . 48 ALA CA C 53.172 0.05 . 506 . 48 ALA HA H 4.010 0.02 . 507 . 48 ALA CB C 18.030 0.05 . 508 . 48 ALA HB H 1.200 0.02 . 509 . 48 ALA C C 176.790 0.05 . 510 . 49 GLN N N 118.711 0.05 . 511 . 49 GLN H H 7.890 0.02 . 512 . 49 GLN CA C 57.777 0.05 . 513 . 49 GLN HA H 3.920 0.02 . 514 . 49 GLN CB C 29.483 0.05 . 515 . 49 GLN HB2 H 1.760 0.02 . 516 . 49 GLN HB3 H 1.740 0.02 . 517 . 49 GLN CG C 26.740 0.05 . 518 . 49 GLN HE21 H 6.980 0.02 . 519 . 49 GLN C C 177.660 0.05 . 520 . 50 GLN N N 117.061 0.05 . 521 . 50 GLN H H 7.859 0.02 . 522 . 50 GLN CA C 56.997 0.05 . 523 . 50 GLN HA H 3.580 0.02 . 524 . 50 GLN CB C 28.933 0.05 . 525 . 50 GLN HB2 H 1.900 0.02 . 526 . 50 GLN HB3 H 1.860 0.02 . 527 . 50 GLN CG C 34.570 0.05 . 528 . 50 GLN HG2 H 2.180 0.02 . 529 . 50 GLN HG3 H 2.120 0.02 . 530 . 50 GLN HE21 H 7.760 0.02 . 531 . 50 GLN HE22 H 7.740 0.02 . 532 . 50 GLN C C 174.310 0.05 . 533 . 51 ILE N N 119.841 0.05 . 534 . 51 ILE H H 7.788 0.02 . 535 . 51 ILE CA C 61.560 0.05 . 536 . 51 ILE HA H 3.860 0.02 . 537 . 51 ILE CB C 38.357 0.05 . 538 . 51 ILE HB H 1.690 0.02 . 539 . 51 ILE CG1 C 27.250 0.05 . 540 . 51 ILE HG12 H 1.330 0.02 . 541 . 51 ILE HG13 H 0.980 0.02 . 542 . 51 ILE CD1 C 16.650 0.05 . 543 . 51 ILE HD1 H 0.690 0.02 . 544 . 51 ILE CG2 C 16.880 0.05 . 545 . 51 ILE HG2 H 0.770 0.02 . 546 . 51 ILE C C 176.340 0.05 . 547 . 52 ARG N N 121.982 0.05 . 548 . 52 ARG H H 8.073 0.02 . 549 . 52 ARG CA C 56.255 0.05 . 550 . 52 ARG HA H 4.080 0.02 . 551 . 52 ARG CB C 30.087 0.05 . 552 . 52 ARG HB2 H 1.650 0.02 . 553 . 52 ARG HB3 H 1.600 0.02 . 554 . 52 ARG CG C 26.600 0.05 . 555 . 52 ARG HG2 H 1.420 0.02 . 556 . 52 ARG HG3 H 1.340 0.02 . 557 . 52 ARG CD C 42.760 0.05 . 558 . 52 ARG HD2 H 2.830 0.02 . 559 . 52 ARG HD3 H 2.790 0.02 . 560 . 52 ARG C C 175.880 0.05 . 561 . 53 LEU N N 121.307 0.05 . 562 . 53 LEU H H 7.761 0.02 . 563 . 53 LEU CA C 54.880 0.05 . 564 . 53 LEU HA H 4.100 0.02 . 565 . 53 LEU CB C 41.740 0.05 . 566 . 53 LEU HB2 H 1.420 0.02 . 567 . 53 LEU HB3 H 1.390 0.02 . 568 . 53 LEU CG C 26.450 0.05 . 569 . 53 LEU HG H 0.700 0.02 . 570 . 53 LEU CD1 C 24.350 0.05 . 571 . 53 LEU HD1 H 0.650 0.02 . 572 . 53 LEU CD2 C 22.390 0.05 . 573 . 53 LEU HD2 H 0.620 0.02 . 574 . 53 LEU C C 176.090 0.05 . 575 . 54 GLN N N 124.912 0.05 . 576 . 54 GLN H H 7.371 0.02 . 577 . 54 GLN CA C 56.965 0.05 . 578 . 54 GLN HA H 3.970 0.02 . 579 . 54 GLN CB C 31.803 0.05 . 580 . 54 GLN HB2 H 1.300 0.02 . 581 . 54 GLN HB3 H 1.260 0.02 . 582 . 54 GLN CG C 33.660 0.05 . 583 . 54 GLN HG2 H 1.630 0.02 . 584 . 54 GLN HG3 H 1.500 0.02 . 585 . 54 GLN C C 175.810 0.05 . 586 . 55 ALA N N 122.307 0.05 . 587 . 55 ALA H H 7.906 0.02 . 588 . 55 ALA CA C 53.727 0.05 . 589 . 55 ALA HA H 3.930 0.02 . 590 . 55 ALA CB C 17.980 0.05 . 591 . 55 ALA HB H 1.210 0.02 . 592 . 55 ALA C C 178.230 0.05 . 593 . 56 GLU N N 117.143 0.05 . 594 . 56 GLU H H 7.854 0.02 . 595 . 56 GLU CA C 56.003 0.05 . 596 . 56 GLU HA H 4.040 0.02 . 597 . 56 GLU CB C 29.570 0.05 . 598 . 56 GLU HB2 H 2.050 0.02 . 599 . 56 GLU HB3 H 2.030 0.02 . 600 . 56 GLU CG C 35.220 0.05 . 601 . 56 GLU HG2 H 2.090 0.02 . 602 . 56 GLU HG3 H 2.080 0.02 . 603 . 56 GLU C C 177.650 0.05 . 604 . 57 ALA N N 124.420 0.05 . 605 . 57 ALA H H 8.160 0.02 . 606 . 57 ALA CA C 54.540 0.05 . 607 . 57 ALA HA H 4.350 0.02 . 608 . 57 ALA CB C 17.645 0.05 . 609 . 57 ALA HB H 1.270 0.02 . 610 . 57 ALA C C 176.760 0.05 . 611 . 58 ALA N N 120.697 0.05 . 612 . 58 ALA H H 7.708 0.02 . 613 . 58 ALA CA C 54.320 0.05 . 614 . 58 ALA HA H 3.950 0.02 . 615 . 58 ALA CB C 17.897 0.05 . 616 . 58 ALA HB H 1.210 0.02 . 617 . 58 ALA C C 179.100 0.05 . 618 . 59 GLN N N 118.157 0.05 . 619 . 59 GLN H H 7.967 0.02 . 620 . 59 GLN CA C 55.030 0.05 . 621 . 59 GLN HA H 4.100 0.02 . 622 . 59 GLN CB C 29.010 0.05 . 623 . 59 GLN HB2 H 2.060 0.02 . 624 . 59 GLN HB3 H 2.040 0.02 . 625 . 59 GLN CG C 33.210 0.05 . 626 . 59 GLN HG2 H 2.090 0.02 . 627 . 59 GLN C C 175.070 0.05 . 628 . 60 ALA N N 125.535 0.05 . 629 . 60 ALA H H 8.274 0.02 . 630 . 60 ALA CA C 52.080 0.05 . 631 . 60 ALA HA H 3.880 0.02 . 632 . 60 ALA CB C 18.820 0.05 . 633 . 60 ALA HB H 1.520 0.02 . 634 . 60 ALA C C 178.320 0.05 . 635 . 61 ARG N N 117.156 0.05 . 636 . 61 ARG H H 7.848 0.02 . 637 . 61 ARG CA C 56.285 0.05 . 638 . 61 ARG HA H 4.210 0.02 . 639 . 61 ARG CB C 31.630 0.05 . 640 . 61 ARG HB2 H 2.140 0.02 . 641 . 61 ARG HB3 H 2.080 0.02 . 642 . 61 ARG CG C 26.960 0.05 . 643 . 61 ARG HG2 H 1.850 0.02 . 644 . 61 ARG HG3 H 1.700 0.02 . 645 . 61 ARG CD C 40.870 0.05 . 646 . 61 ARG HD2 H 3.580 0.02 . 647 . 61 ARG HD3 H 3.570 0.02 . 648 . 61 ARG C C 176.460 0.05 . 649 . 62 LEU N N 121.037 0.05 . 650 . 62 LEU H H 8.086 0.02 . 651 . 62 LEU CA C 55.085 0.05 . 652 . 62 LEU HA H 3.740 0.02 . 653 . 62 LEU CB C 41.850 0.05 . 654 . 62 LEU HB2 H 1.430 0.02 . 655 . 62 LEU CG C 26.750 0.05 . 656 . 62 LEU HG H 1.400 0.02 . 657 . 62 LEU CD1 C 24.380 0.05 . 658 . 62 LEU HD1 H 0.700 0.02 . 659 . 62 LEU CD2 C 22.540 0.05 . 660 . 62 LEU HD2 H 0.680 0.02 . 661 . 62 LEU C C 175.930 0.05 . 662 . 63 LYS N N 124.916 0.05 . 663 . 63 LYS H H 7.481 0.02 . 664 . 63 LYS CA C 56.550 0.05 . 665 . 63 LYS HA H 4.540 0.02 . 666 . 63 LYS CB C 30.590 0.05 . 667 . 63 LYS HB2 H 1.980 0.02 . 668 . 63 LYS HB3 H 1.940 0.02 . 669 . 63 LYS CG C 24.350 0.05 . 670 . 63 LYS HG2 H 1.690 0.02 . 671 . 63 LYS HG3 H 1.670 0.02 . 672 . 63 LYS HD2 H 1.930 0.02 . 673 . 63 LYS HE2 H 2.160 0.02 . 674 . 63 LYS C C 175.710 0.05 . 675 . 64 SER N N 114.487 0.05 . 676 . 64 SER H H 8.286 0.02 . 677 . 64 SER CA C 57.930 0.05 . 678 . 64 SER HA H 4.550 0.02 . 679 . 64 SER CB C 63.460 0.05 . 680 . 64 SER HB2 H 4.204 0.02 . 681 . 64 SER HB3 H 4.034 0.02 . 682 . 64 SER C C 176.060 0.05 . 683 . 65 ARG N N 123.885 0.05 . 684 . 65 ARG H H 7.555 0.02 . 685 . 65 ARG CA C 58.853 0.05 . 686 . 65 ARG HA H 4.040 0.02 . 687 . 65 ARG CB C 27.140 0.05 . 688 . 65 ARG HB2 H 1.460 0.02 . 689 . 65 ARG HB3 H 1.400 0.02 . 690 . 65 ARG CG C 26.640 0.05 . 691 . 65 ARG HG2 H 0.730 0.02 . 692 . 65 ARG HG3 H 0.680 0.02 . 693 . 65 ARG CD C 42.750 0.05 . 694 . 65 ARG HD2 H 2.460 0.02 . 695 . 65 ARG HD3 H 2.390 0.02 . 696 . 65 ARG C C 177.950 0.05 . 697 . 66 PHE N N 119.676 0.05 . 698 . 66 PHE H H 8.039 0.02 . 699 . 66 PHE CA C 60.420 0.05 . 700 . 66 PHE HA H 4.140 0.02 . 701 . 66 PHE CB C 38.665 0.05 . 702 . 66 PHE HB2 H 3.080 0.02 . 703 . 66 PHE HB3 H 2.980 0.02 . 704 . 66 PHE C C 178.050 0.05 . 705 . 67 GLU N N 120.219 0.05 . 706 . 67 GLU H H 8.294 0.02 . 707 . 67 GLU CA C 58.430 0.05 . 708 . 67 GLU HA H 3.940 0.02 . 709 . 67 GLU CB C 28.890 0.05 . 710 . 67 GLU HB2 H 2.140 0.02 . 711 . 67 GLU HB3 H 2.130 0.02 . 712 . 67 GLU HG2 H 2.280 0.02 . 713 . 67 GLU HG3 H 2.270 0.02 . 714 . 68 PRO CA C 63.043 0.05 . 715 . 68 PRO HA H 4.230 0.02 . 716 . 68 PRO CB C 31.393 0.05 . 717 . 68 PRO HB2 H 2.050 0.02 . 718 . 68 PRO CG C 26.630 0.05 . 719 . 68 PRO HG2 H 1.790 0.02 . 720 . 68 PRO HG3 H 1.750 0.02 . 721 . 68 PRO CD C 50.210 0.05 . 722 . 68 PRO HD2 H 3.550 0.02 . 723 . 68 PRO HD3 H 3.530 0.02 . 724 . 68 PRO C C 176.110 0.05 . 725 . 69 LEU N N 119.194 0.05 . 726 . 69 LEU H H 8.140 0.02 . 727 . 69 LEU CA C 53.767 0.05 . 728 . 69 LEU HA H 4.400 0.02 . 729 . 69 LEU CB C 40.143 0.05 . 730 . 69 LEU HB2 H 2.420 0.02 . 731 . 69 LEU HB3 H 2.400 0.02 . 732 . 69 LEU CD1 C 18.380 0.05 . 733 . 69 LEU HD1 H 1.670 0.02 . 734 . 69 LEU CD2 C 18.210 0.05 . 735 . 69 LEU HD2 H 1.660 0.02 . 736 . 69 LEU C C 177.190 0.05 . 737 . 70 ALA N N 122.827 0.05 . 738 . 70 ALA H H 7.908 0.02 . 739 . 70 ALA CA C 53.300 0.05 . 740 . 70 ALA HA H 4.140 0.02 . 741 . 70 ALA CB C 18.250 0.05 . 742 . 70 ALA HB H 1.270 0.02 . 743 . 70 ALA C C 178.480 0.05 . 744 . 71 GLU N N 118.172 0.05 . 745 . 71 GLU H H 8.088 0.02 . 746 . 71 GLU CA C 56.775 0.05 . 747 . 71 GLU HA H 4.410 0.02 . 748 . 71 GLU CB C 29.360 0.05 . 749 . 71 GLU HB2 H 2.500 0.02 . 750 . 71 GLU HB3 H 2.450 0.02 . 751 . 71 GLU HG2 H 2.600 0.02 . 752 . 71 GLU HG3 H 2.570 0.02 . 753 . 71 GLU C C 176.060 0.05 . 754 . 72 ASP N N 120.208 0.05 . 755 . 72 ASP H H 8.126 0.02 . 756 . 72 ASP CA C 54.645 0.05 . 757 . 72 ASP HA H 4.340 0.02 . 758 . 72 ASP CB C 39.958 0.05 . 759 . 72 ASP HB2 H 2.560 0.02 . 760 . 72 ASP HB3 H 2.540 0.02 . 761 . 72 ASP C C 176.730 0.05 . 762 . 73 MET N N 120.722 0.05 . 763 . 73 MET H H 7.908 0.02 . 764 . 73 MET CA C 56.477 0.05 . 765 . 73 MET HA H 4.110 0.02 . 766 . 73 MET CB C 31.763 0.05 . 767 . 73 MET HB2 H 2.330 0.02 . 768 . 73 MET HB3 H 2.320 0.02 . 769 . 73 MET CG C 35.050 0.05 . 770 . 73 MET HG2 H 2.490 0.02 . 771 . 73 MET CE C 17.530 0.05 . 772 . 73 MET C C 176.620 0.05 . 773 . 74 GLN N N 120.264 0.05 . 774 . 74 GLN H H 7.910 0.02 . 775 . 74 GLN CA C 55.647 0.05 . 776 . 74 GLN HA H 4.130 0.02 . 777 . 74 GLN CB C 29.030 0.05 . 778 . 74 GLN HB2 H 2.120 0.02 . 779 . 74 GLN HB3 H 2.100 0.02 . 780 . 74 GLN CG C 33.350 0.05 . 781 . 74 GLN HG2 H 2.180 0.02 . 782 . 74 GLN HG3 H 2.160 0.02 . 783 . 74 GLN C C 175.250 0.05 . 784 . 75 ARG N N 122.285 0.05 . 785 . 75 ARG H H 8.179 0.02 . 786 . 75 ARG CA C 56.245 0.05 . 787 . 75 ARG HA H 4.110 0.02 . 788 . 75 ARG CB C 29.690 0.05 . 789 . 75 ARG HB2 H 2.140 0.02 . 790 . 75 ARG HB3 H 2.120 0.02 . 791 . 75 ARG CG C 29.670 0.05 . 792 . 75 ARG HG2 H 2.080 0.02 . 793 . 75 ARG HG3 H 2.060 0.02 . 794 . 75 ARG CD C 35.050 0.05 . 795 . 75 ARG C C 174.990 0.05 . 796 . 76 GLN N N 125.992 0.05 . 797 . 76 GLN H H 7.694 0.02 . 798 . 76 GLN CA C 56.825 0.05 . 799 . 76 GLN HA H 4.120 0.02 . 800 . 76 GLN CB C 31.250 0.05 . 801 . 76 GLN HB2 H 2.360 0.02 . 802 . 76 GLN HB3 H 2.310 0.02 . 803 . 76 GLN CG C 31.780 0.05 . 804 . 76 GLN HG2 H 2.500 0.02 . 805 . 76 GLN HG3 H 2.440 0.02 . 806 . 76 GLN C C 176.870 0.05 . 807 . 77 TRP N N 120.240 0.05 . 808 . 77 TRP H H 7.902 0.02 . 809 . 77 TRP CA C 57.108 0.05 . 810 . 77 TRP HA H 3.930 0.02 . 811 . 77 TRP CB C 30.032 0.05 . 812 . 77 TRP HB2 H 2.950 0.02 . 813 . 77 TRP HB3 H 2.880 0.02 . 814 . 77 TRP HD1 H 7.356 0.02 . 815 . 77 TRP HE1 H 9.778 0.02 . 816 . 77 TRP HE3 H 7.200 0.02 . 817 . 77 TRP HZ2 H 6.990 0.02 . 818 . 77 TRP HZ3 H 6.811 0.02 . 819 . 77 TRP HH2 H 6.960 0.02 . 820 . 77 TRP C C 176.970 0.05 . 821 . 78 ALA N N 122.297 0.05 . 822 . 78 ALA H H 7.979 0.02 . 823 . 78 ALA CA C 53.143 0.05 . 824 . 78 ALA HA H 3.740 0.02 . 825 . 78 ALA CB C 18.025 0.05 . 826 . 78 ALA HB H 1.100 0.02 . 827 . 78 ALA C C 177.880 0.05 . 828 . 79 GLY N N 106.061 0.05 . 829 . 79 GLY H H 7.550 0.02 . 830 . 79 GLY CA C 45.415 0.05 . 831 . 79 GLY HA2 H 4.040 0.02 . 832 . 79 GLY HA3 H 4.010 0.02 . 833 . 79 GLY C C 174.560 0.05 . 834 . 80 GLN N N 119.603 0.05 . 835 . 80 GLN H H 7.779 0.02 . 836 . 80 GLN CA C 56.595 0.05 . 837 . 80 GLN HA H 4.270 0.02 . 838 . 80 GLN CB C 29.245 0.05 . 839 . 80 GLN HB2 H 1.810 0.02 . 840 . 80 GLN HB3 H 1.710 0.02 . 841 . 80 GLN CG C 33.300 0.05 . 842 . 80 GLN HG2 H 2.020 0.02 . 843 . 80 GLN HG3 H 1.980 0.02 . 844 . 80 GLN C C 176.560 0.05 . 845 . 81 VAL N N 119.708 0.05 . 846 . 81 VAL H H 7.819 0.02 . 847 . 81 VAL CA C 63.963 0.05 . 848 . 81 VAL HA H 4.220 0.02 . 849 . 81 VAL CB C 31.700 0.05 . 850 . 81 VAL HB H 1.820 0.02 . 851 . 81 VAL CG1 C 27.230 0.05 . 852 . 81 VAL HG1 H 0.690 0.02 . 853 . 81 VAL CG2 C 26.850 0.05 . 854 . 81 VAL HG2 H 0.680 0.02 . 855 . 81 VAL C C 177.220 0.05 . 856 . 82 GLU N N 120.757 0.05 . 857 . 82 GLU H H 8.217 0.02 . 858 . 82 GLU CA C 57.685 0.05 . 859 . 82 GLU HA H 4.090 0.02 . 860 . 82 GLU CB C 29.020 0.05 . 861 . 82 GLU HB2 H 2.070 0.02 . 862 . 82 GLU HB3 H 2.060 0.02 . 863 . 82 GLU HG2 H 2.110 0.02 . 864 . 82 GLU HG3 H 2.090 0.02 . 865 . 82 GLU C C 177.460 0.05 . 866 . 83 LYS N N 120.180 0.05 . 867 . 83 LYS H H 7.687 0.02 . 868 . 83 LYS CA C 57.743 0.05 . 869 . 83 LYS HA H 3.940 0.02 . 870 . 83 LYS CB C 32.150 0.05 . 871 . 83 LYS HB2 H 1.870 0.02 . 872 . 83 LYS HB3 H 1.850 0.02 . 873 . 83 LYS CG C 24.560 0.05 . 874 . 83 LYS HG2 H 1.270 0.02 . 875 . 83 LYS HG3 H 1.240 0.02 . 876 . 83 LYS CD C 28.790 0.05 . 877 . 83 LYS HD2 H 1.660 0.02 . 878 . 83 LYS HD3 H 1.630 0.02 . 879 . 83 LYS CE C 42.820 0.05 . 880 . 83 LYS HE2 H 2.110 0.02 . 881 . 83 LYS HE3 H 2.060 0.02 . 882 . 83 LYS C C 177.710 0.05 . 883 . 84 VAL N N 120.237 0.05 . 884 . 84 VAL H H 7.751 0.02 . 885 . 84 VAL CA C 64.082 0.05 . 886 . 84 VAL HA H 4.210 0.02 . 887 . 84 VAL CB C 31.773 0.05 . 888 . 84 VAL HB H 2.160 0.02 . 889 . 84 VAL CG1 C 26.890 0.05 . 890 . 84 VAL HG1 H 1.870 0.02 . 891 . 84 VAL CG2 C 20.760 0.05 . 892 . 84 VAL HG2 H 1.740 0.02 . 893 . 84 VAL C C 177.110 0.05 . 894 . 85 GLN N N 120.750 0.05 . 895 . 85 GLN H H 8.159 0.02 . 896 . 85 GLN CA C 56.760 0.05 . 897 . 85 GLN HA H 4.040 0.02 . 898 . 85 GLN CB C 28.817 0.05 . 899 . 85 GLN HB2 H 1.570 0.02 . 900 . 85 GLN CG C 32.930 0.05 . 901 . 85 GLN HG2 H 3.140 0.02 . 902 . 85 GLN HG3 H 3.040 0.02 . 903 . 85 GLN C C 175.970 0.05 . 904 . 86 ALA N N 125.044 0.05 . 905 . 86 ALA H H 8.188 0.02 . 906 . 86 ALA CA C 53.115 0.05 . 907 . 86 ALA HA H 3.820 0.02 . 908 . 86 ALA CB C 18.057 0.05 . 909 . 86 ALA HB H 1.220 0.02 . 910 . 86 ALA C C 178.310 0.05 . 911 . 87 ALA N N 121.730 0.05 . 912 . 87 ALA H H 7.830 0.02 . 913 . 87 ALA CA C 53.113 0.05 . 914 . 87 ALA HA H 3.920 0.02 . 915 . 87 ALA CB C 18.212 0.05 . 916 . 87 ALA HB H 1.210 0.02 . 917 . 87 ALA C C 178.430 0.05 . 918 . 88 GLU N N 119.115 0.05 . 919 . 88 GLU H H 7.892 0.02 . 920 . 88 GLU CA C 58.120 0.05 . 921 . 88 GLU HA H 4.310 0.02 . 922 . 88 GLU CB C 28.903 0.05 . 923 . 88 GLU HB2 H 2.330 0.02 . 924 . 88 GLU HB3 H 2.160 0.02 . 925 . 88 GLU CG C 34.220 0.05 . 926 . 88 GLU HG2 H 3.140 0.02 . 927 . 88 GLU HG3 H 3.100 0.02 . 928 . 88 GLU C C 177.460 0.05 . 929 . 89 GLY N N 107.575 0.05 . 930 . 89 GLY H H 7.971 0.02 . 931 . 89 GLY CA C 45.295 0.05 . 932 . 89 GLY HA2 H 3.810 0.02 . 933 . 89 GLY HA3 H 3.800 0.02 . 934 . 89 GLY C C 174.530 0.05 . 935 . 90 THR N N 112.370 0.05 . 936 . 90 THR H H 7.767 0.02 . 937 . 90 THR CA C 61.680 0.05 . 938 . 90 THR HA H 4.180 0.02 . 939 . 90 THR CB C 69.390 0.05 . 940 . 90 THR HB H 4.090 0.02 . 941 . 90 THR CG2 C 20.850 0.05 . 942 . 90 THR HG2 H 1.040 0.02 . 943 . 90 THR C C 174.510 0.05 . 944 . 91 SER N N 117.082 0.05 . 945 . 91 SER H H 7.962 0.02 . 946 . 91 SER CA C 58.098 0.05 . 947 . 91 SER HA H 4.240 0.02 . 948 . 91 SER CB C 63.350 0.05 . 949 . 91 SER HB2 H 3.700 0.02 . 950 . 91 SER HB3 H 3.520 0.02 . 951 . 91 SER C C 173.630 0.05 . 952 . 92 ALA N N 124.955 0.05 . 953 . 92 ALA H H 7.935 0.02 . 954 . 92 ALA CA C 51.680 0.05 . 955 . 92 ALA HA H 4.150 0.02 . 956 . 92 ALA CB C 18.900 0.05 . 957 . 92 ALA HB H 1.170 0.02 . 958 . 92 ALA C C 176.420 0.05 . 959 . 93 ALA N N 123.801 0.05 . 960 . 93 ALA H H 7.841 0.02 . 961 . 93 ALA CA C 49.870 0.05 . 962 . 93 ALA HA H 4.205 0.02 . 963 . 93 ALA CB C 17.750 0.05 . 964 . 93 ALA HB H 1.005 0.02 . 965 . 94 PRO CA C 63.610 0.05 . 966 . 94 PRO HA H 4.180 0.02 . 967 . 94 PRO CB C 31.220 0.05 . 968 . 94 PRO HB2 H 2.140 0.02 . 969 . 94 PRO HG2 H 2.100 0.02 . 970 . 94 PRO HD2 H 3.710 0.02 . 971 . 94 PRO HD3 H 3.600 0.02 . 972 . 94 PRO C C 175.480 0.05 . 973 . 95 VAL N N 121.634 0.05 . 974 . 95 VAL H H 8.153 0.02 . 975 . 95 VAL CA C 62.690 0.05 . 976 . 95 VAL HA H 4.290 0.02 . 977 . 95 VAL CB C 31.870 0.05 . 978 . 95 VAL HB H 2.330 0.02 . 979 . 95 VAL HG1 H 0.740 0.02 . 980 . 95 VAL HG2 H 0.730 0.02 . 981 . 96 PRO CA C 62.987 0.05 . 982 . 96 PRO HA H 4.210 0.02 . 983 . 96 PRO CB C 31.585 0.05 . 984 . 96 PRO HB2 H 2.100 0.02 . 985 . 96 PRO CG C 26.860 0.05 . 986 . 96 PRO HG2 H 1.840 0.02 . 987 . 96 PRO HG3 H 1.730 0.02 . 988 . 96 PRO CD C 50.440 0.05 . 989 . 96 PRO HD2 H 3.650 0.02 . 990 . 96 PRO HD3 H 3.470 0.02 . 991 . 96 PRO C C 176.430 0.05 . 992 . 97 SER N N 114.518 0.05 . 993 . 97 SER H H 8.029 0.02 . 994 . 97 SER CA C 57.758 0.05 . 995 . 97 SER HA H 4.220 0.02 . 996 . 97 SER CB C 63.577 0.05 . 997 . 97 SER HB2 H 3.730 0.02 . 998 . 97 SER HB3 H 3.630 0.02 . 999 . 97 SER C C 173.940 0.05 . 1000 . 98 ASP N N 121.748 0.05 . 1001 . 98 ASP H H 8.148 0.02 . 1002 . 98 ASP CA C 53.755 0.05 . 1003 . 98 ASP HA H 4.450 0.02 . 1004 . 98 ASP CB C 40.463 0.05 . 1005 . 98 ASP HB2 H 2.500 0.02 . 1006 . 98 ASP HB3 H 2.460 0.02 . 1007 . 98 ASP C C 175.430 0.05 . 1008 . 99 ASN N N 118.649 0.05 . 1009 . 99 ASN H H 8.098 0.02 . 1010 . 99 ASN CA C 52.962 0.05 . 1011 . 99 ASN HA H 4.480 0.02 . 1012 . 99 ASN CB C 38.305 0.05 . 1013 . 99 ASN HB2 H 2.590 0.02 . 1014 . 99 ASN HB3 H 2.500 0.02 . 1015 . 99 ASN C C 173.810 0.05 . 1016 . 100 HIS N N 122.848 0.05 . 1017 . 100 HIS H H 7.770 0.02 . 1018 . 100 HIS CA C 56.640 0.05 . 1019 . 100 HIS HA H 4.360 0.02 . 1020 . 100 HIS CB C 29.280 0.05 . 1021 . 100 HIS HB2 H 2.920 0.02 . stop_ save_