data_16534 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; DICER LIKE protein ; _BMRB_accession_number 16534 _BMRB_flat_file_name bmr16534.str _Entry_type original _Submission_date 2009-09-30 _Accession_date 2009-09-30 _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 Qin Haina . . 2 Song Jianxing . . 3 Yuan 'Adam, Yu-Ren' . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 428 "13C chemical shifts" 246 "15N chemical shifts" 85 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-12-07 update BMRB 'delete outlier: 80 ASN ND2 11.589' 2010-06-03 update BMRB 'edit entity/assembly name' 2010-03-01 update BMRB 'completed entry citation' 2010-02-08 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of the Arabidopsis thaliana DCL4 DUF283 domain reveals a noncanonical double-stranded RNA-binding fold for protein-protein interaction.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20106953 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Qin Haina . . 2 Chen Fading . . 3 Huan Xuelu . . 4 Machida Satoru . . 5 Song Jianxing . . 6 Yuan 'Y. Adam' . . stop_ _Journal_abbreviation RNA _Journal_name_full 'RNA (New York, N.Y.)' _Journal_volume 16 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 474 _Page_last 481 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'DCL4 DUF283' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label DCL4_DUF283 $protein 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_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common DCL4_DUF283 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 102 _Mol_residue_sequence ; ISGGSSISMMYKYCSRLPHD EFFQPKPEFQFKPVDEFGGT ICRITLPANAPISEIESSLL PSTEAAKKDACLKAVHELHN LGVLNDFLLPDSKDEIEDEL SD ; loop_ _Residue_seq_code _Residue_label 1 ILE 2 SER 3 GLY 4 GLY 5 SER 6 SER 7 ILE 8 SER 9 MET 10 MET 11 TYR 12 LYS 13 TYR 14 CYS 15 SER 16 ARG 17 LEU 18 PRO 19 HIS 20 ASP 21 GLU 22 PHE 23 PHE 24 GLN 25 PRO 26 LYS 27 PRO 28 GLU 29 PHE 30 GLN 31 PHE 32 LYS 33 PRO 34 VAL 35 ASP 36 GLU 37 PHE 38 GLY 39 GLY 40 THR 41 ILE 42 CYS 43 ARG 44 ILE 45 THR 46 LEU 47 PRO 48 ALA 49 ASN 50 ALA 51 PRO 52 ILE 53 SER 54 GLU 55 ILE 56 GLU 57 SER 58 SER 59 LEU 60 LEU 61 PRO 62 SER 63 THR 64 GLU 65 ALA 66 ALA 67 LYS 68 LYS 69 ASP 70 ALA 71 CYS 72 LEU 73 LYS 74 ALA 75 VAL 76 HIS 77 GLU 78 LEU 79 HIS 80 ASN 81 LEU 82 GLY 83 VAL 84 LEU 85 ASN 86 ASP 87 PHE 88 LEU 89 LEU 90 PRO 91 ASP 92 SER 93 LYS 94 ASP 95 GLU 96 ILE 97 GLU 98 ASP 99 GLU 100 LEU 101 SER 102 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 PDB 2KOU "Dicer Like Protein" 100.00 102 100.00 100.00 3.78e-67 GB AAZ80387 "dicer-like 4 [Arabidopsis thaliana]" 100.00 1702 98.04 100.00 7.06e-60 GB AED92830 "dicer-like protein 4 [Arabidopsis thaliana]" 100.00 1702 98.04 100.00 7.06e-60 GB AED92831 "dicer-like protein 4 [Arabidopsis thaliana]" 100.00 1688 98.04 100.00 7.11e-60 REF NP_001190348 "dicer-like protein 4 [Arabidopsis thaliana]" 100.00 1688 98.04 100.00 7.11e-60 REF NP_197532 "dicer-like protein 4 [Arabidopsis thaliana]" 100.00 1702 98.04 100.00 7.06e-60 SP P84634 "RecName: Full=Dicer-like protein 4" 100.00 1702 98.04 100.00 7.06e-60 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $protein 'thale cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana 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 $protein 'recombinant technology' . Escherichia coli . PET32a 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 $protein 1 mM '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_CBCA(CO)NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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' 0.02 . M pH 6.3 . 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 carbon' ppm 0 na direct . . . 1.0 DSS H 1 'methyl protons' ppm 0 na direct . . . 1.0 DSS N 15 nitrogen ppm 0 na direct . . . 1.0 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_ _Software_label $CYANA stop_ loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCACB' '3D 1H-15N NOESY' '3D 1H-13C NOESY' 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 DCL4_DUF283 _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 4 4 GLY HA2 H 3.620 . 2 2 4 4 GLY HA3 H 4.110 . 2 3 4 4 GLY CA C 46.133 . 1 4 5 5 SER H H 8.207 . 1 5 5 5 SER HA H 4.748 . 1 6 5 5 SER HB2 H 3.915 . 2 7 5 5 SER CA C 59.321 . 1 8 5 5 SER CB C 63.939 . 1 9 5 5 SER N N 116.138 . 1 10 6 6 SER HA H 4.034 . 1 11 6 6 SER HB2 H 3.727 . 2 12 6 6 SER HB3 H 3.786 . 2 13 6 6 SER CA C 62.599 . 1 14 6 6 SER CB C 62.300 . 1 15 7 7 ILE H H 7.732 . 1 16 7 7 ILE HA H 3.938 . 1 17 7 7 ILE HB H 1.925 . 1 18 7 7 ILE HD1 H 0.851 . 1 19 7 7 ILE HG12 H 1.342 . 1 20 7 7 ILE HG13 H 1.756 . 1 21 7 7 ILE HG2 H 0.998 . 2 22 7 7 ILE CA C 65.710 . 1 23 7 7 ILE CB C 38.177 . 1 24 7 7 ILE CD1 C 14.090 . 1 25 7 7 ILE CG1 C 28.864 . 2 26 7 7 ILE CG2 C 17.480 . 1 27 7 7 ILE N N 121.601 . 1 28 8 8 SER H H 7.605 . 1 29 8 8 SER HA H 4.243 . 1 30 8 8 SER HB2 H 3.930 . 2 31 8 8 SER CA C 61.867 . 1 32 8 8 SER CB C 62.890 . 1 33 8 8 SER N N 115.350 . 1 34 10 10 MET H H 8.026 . 1 35 10 10 MET HA H 4.004 . 1 36 10 10 MET HB2 H 1.613 . 2 37 10 10 MET HB3 H 1.915 . 2 38 10 10 MET CA C 58.345 . 1 39 10 10 MET CB C 41.973 . 1 40 10 10 MET N N 119.438 . 1 41 11 11 TYR H H 8.270 . 1 42 11 11 TYR HA H 3.961 . 1 43 11 11 TYR HB2 H 3.025 . 2 44 11 11 TYR HB3 H 3.121 . 2 45 11 11 TYR CA C 63.532 . 1 46 11 11 TYR CB C 38.036 . 1 47 11 11 TYR N N 118.897 . 1 48 12 12 LYS H H 8.471 . 1 49 12 12 LYS HA H 3.990 . 1 50 12 12 LYS HB2 H 1.852 . 2 51 12 12 LYS HD2 H 1.387 . 2 52 12 12 LYS HD3 H 1.524 . 2 53 12 12 LYS HE2 H 2.869 . 2 54 12 12 LYS HG2 H 1.649 . 2 55 12 12 LYS CA C 60.284 . 1 56 12 12 LYS CB C 32.357 . 1 57 12 12 LYS CD C 25.473 . 1 58 12 12 LYS CG C 29.348 . 1 59 12 12 LYS N N 122.117 . 1 60 13 13 TYR H H 8.676 . 1 61 13 13 TYR HA H 3.981 . 1 62 13 13 TYR HB2 H 2.867 . 2 63 13 13 TYR HB3 H 2.945 . 2 64 13 13 TYR CA C 61.781 . 1 65 13 13 TYR CB C 38.140 . 1 66 13 13 TYR N N 120.059 . 1 67 14 14 CYS H H 8.022 . 1 68 14 14 CYS HA H 3.667 . 1 69 14 14 CYS HB2 H 2.226 . 2 70 14 14 CYS HB3 H 2.966 . 2 71 14 14 CYS CA C 64.047 . 1 72 14 14 CYS CB C 27.111 . 1 73 14 14 CYS N N 114.681 . 1 74 15 15 SER H H 7.856 . 1 75 15 15 SER HA H 4.100 . 1 76 15 15 SER HB2 H 3.964 . 2 77 15 15 SER HB3 H 4.028 . 2 78 15 15 SER CA C 61.355 . 1 79 15 15 SER CB C 63.322 . 1 80 15 15 SER N N 111.902 . 1 81 16 16 ARG H H 6.974 . 1 82 16 16 ARG HA H 4.372 . 1 83 16 16 ARG HB2 H 1.757 . 2 84 16 16 ARG HB3 H 2.045 . 2 85 16 16 ARG CA C 55.659 . 1 86 16 16 ARG CB C 30.863 . 1 87 16 16 ARG N N 118.427 . 1 88 17 17 LEU H H 7.153 . 1 89 17 17 LEU HA H 4.256 . 1 90 17 17 LEU HB2 H 1.250 . 2 91 17 17 LEU HD1 H 0.763 . 2 92 17 17 LEU HD2 H 0.663 . 2 93 17 17 LEU CA C 53.983 . 1 94 17 17 LEU CB C 40.915 . 1 95 17 17 LEU CD1 C 0.763 . 1 96 17 17 LEU CD2 C 21.840 . 1 97 17 17 LEU N N 123.200 . 1 98 20 20 ASP H H 8.478 . 1 99 20 20 ASP HA H 4.630 . 1 100 20 20 ASP CA C 53.891 . 1 101 20 20 ASP CB C 42.130 . 1 102 20 20 ASP N N 121.013 . 1 103 21 21 GLU H H 8.710 . 1 104 21 21 GLU HA H 3.988 . 1 105 21 21 GLU HB2 H 1.712 . 2 106 21 21 GLU HG2 H 1.841 . 2 107 21 21 GLU CA C 58.434 . 1 108 21 21 GLU CB C 29.558 . 1 109 21 21 GLU CG C 32.254 . 1 110 21 21 GLU N N 119.590 . 1 111 22 22 PHE H H 8.311 . 1 112 22 22 PHE HA H 4.509 . 1 113 22 22 PHE HB2 H 3.007 . 2 114 22 22 PHE HB3 H 3.181 . 2 115 22 22 PHE CA C 58.637 . 1 116 22 22 PHE CB C 38.671 . 1 117 22 22 PHE N N 117.073 . 1 118 23 23 PHE H H 7.726 . 1 119 23 23 PHE HA H 4.684 . 1 120 23 23 PHE HB2 H 2.982 . 2 121 23 23 PHE CA C 57.031 . 1 122 23 23 PHE CB C 41.166 . 1 123 23 23 PHE N N 120.326 . 1 124 24 24 GLN H H 8.002 . 1 125 24 24 GLN HA H 4.216 . 1 126 24 24 GLN HB2 H 1.735 . 2 127 24 24 GLN HG2 H 2.107 . 2 128 24 24 GLN CA C 52.335 . 1 129 24 24 GLN CB C 29.374 . 1 130 24 24 GLN CG C 33.465 . 1 131 24 24 GLN N N 123.665 . 1 132 27 27 PRO HA H 4.309 . 1 133 27 27 PRO HB2 H 1.075 . 2 134 27 27 PRO HB3 H 1.447 . 2 135 27 27 PRO HD2 H 2.694 . 2 136 27 27 PRO HD3 H 3.179 . 2 137 27 27 PRO CA C 62.144 . 1 138 27 27 PRO CB C 31.551 . 1 139 27 27 PRO CD C 37.340 . 1 140 28 28 GLU H H 7.844 . 1 141 28 28 GLU HA H 4.312 . 1 142 28 28 GLU HB2 H 1.642 . 2 143 28 28 GLU HB3 H 1.901 . 2 144 28 28 GLU CA C 54.753 . 1 145 28 28 GLU CB C 32.194 . 1 146 28 28 GLU N N 119.389 . 1 147 29 29 PHE H H 8.672 . 1 148 29 29 PHE HA H 4.764 . 1 149 29 29 PHE HB2 H 2.267 . 2 150 29 29 PHE HB3 H 2.848 . 2 151 29 29 PHE CA C 57.259 . 1 152 29 29 PHE CB C 42.013 . 1 153 29 29 PHE N N 120.299 . 1 154 30 30 GLN H H 8.650 . 1 155 30 30 GLN HA H 4.600 . 1 156 30 30 GLN HB2 H 1.833 . 2 157 30 30 GLN HB3 H 1.990 . 2 158 30 30 GLN HG2 H 2.195 . 2 159 30 30 GLN HG3 H 2.262 . 2 160 30 30 GLN CA C 54.589 . 1 161 30 30 GLN CB C 32.652 . 1 162 30 30 GLN CG C 33.950 . 1 163 30 30 GLN N N 122.046 . 1 164 31 31 PHE H H 8.990 . 1 165 31 31 PHE HA H 5.236 . 1 166 31 31 PHE HB2 H 2.770 . 2 167 31 31 PHE HB3 H 2.884 . 2 168 31 31 PHE CA C 57.177 . 1 169 31 31 PHE CB C 41.358 . 1 170 31 31 PHE N N 121.951 . 1 171 32 32 LYS H H 8.914 . 1 172 32 32 LYS HA H 4.822 . 1 173 32 32 LYS HB2 H 1.697 . 2 174 32 32 LYS HB3 H 1.770 . 2 175 32 32 LYS HD2 H 1.330 . 2 176 32 32 LYS HE2 H 2.786 . 2 177 32 32 LYS HG2 H 1.440 . 2 178 32 32 LYS CA C 53.411 . 1 179 32 32 LYS CB C 34.266 . 1 180 32 32 LYS CE C 41.700 . 1 181 32 32 LYS N N 124.818 . 1 182 33 33 PRO HA H 4.743 . 1 183 33 33 PRO HB2 H 1.990 . 2 184 33 33 PRO HB3 H 2.249 . 2 185 33 33 PRO HG2 H 1.928 . 2 186 33 33 PRO CA C 62.590 . 1 187 33 33 PRO CB C 32.560 . 1 188 34 34 VAL H H 8.358 . 1 189 34 34 VAL HA H 4.154 . 1 190 34 34 VAL HB H 1.868 . 1 191 34 34 VAL HG1 H 0.791 . 2 192 34 34 VAL HG2 H 0.897 . 2 193 34 34 VAL CA C 62.619 . 1 194 34 34 VAL CB C 32.909 . 1 195 34 34 VAL CG1 C 20.387 . 1 196 34 34 VAL CG2 C 21.598 . 1 197 34 34 VAL N N 121.710 . 1 198 35 35 ASP H H 7.774 . 1 199 35 35 ASP HA H 4.608 . 1 200 35 35 ASP HB2 H 2.680 . 2 201 35 35 ASP HB3 H 2.926 . 2 202 35 35 ASP CA C 54.017 . 1 203 35 35 ASP CB C 42.372 . 1 204 35 35 ASP N N 119.983 . 1 205 36 36 GLU H H 8.933 . 1 206 36 36 GLU HA H 4.059 . 1 207 36 36 GLU HB2 H 1.556 . 2 208 36 36 GLU HB3 H 1.654 . 2 209 36 36 GLU HG2 H 2.675 . 2 210 36 36 GLU HG3 H 2.916 . 2 211 36 36 GLU CA C 57.746 . 1 212 36 36 GLU CB C 28.892 . 1 213 36 36 GLU CG C 41.700 . 1 214 36 36 GLU N N 117.479 . 1 215 37 37 PHE H H 8.378 . 1 216 37 37 PHE HA H 4.738 . 1 217 37 37 PHE HB2 H 2.767 . 2 218 37 37 PHE HB3 H 3.414 . 2 219 37 37 PHE CA C 57.117 . 1 220 37 37 PHE CB C 39.729 . 1 221 37 37 PHE N N 118.955 . 1 222 38 38 GLY H H 7.779 . 1 223 38 38 GLY HA2 H 3.623 . 2 224 38 38 GLY HA3 H 4.239 . 2 225 38 38 GLY CA C 45.648 . 1 226 38 38 GLY N N 108.930 . 1 227 39 39 GLY H H 8.859 . 1 228 39 39 GLY HA2 H 3.611 . 2 229 39 39 GLY HA3 H 4.098 . 2 230 39 39 GLY CA C 46.127 . 1 231 39 39 GLY N N 110.378 . 1 232 40 40 THR H H 9.290 . 1 233 40 40 THR HA H 4.907 . 1 234 40 40 THR HB H 3.677 . 1 235 40 40 THR HG2 H 0.937 . 1 236 40 40 THR CA C 61.868 . 1 237 40 40 THR CB C 71.688 . 1 238 40 40 THR CG2 C 23.777 . 1 239 40 40 THR N N 121.423 . 1 240 41 41 ILE H H 7.914 . 1 241 41 41 ILE HA H 4.203 . 1 242 41 41 ILE HB H 1.435 . 1 243 41 41 ILE HD1 H 0.783 . 1 244 41 41 ILE HG12 H 0.930 . 1 245 41 41 ILE CA C 60.059 . 1 246 41 41 ILE CB C 42.620 . 1 247 41 41 ILE CD1 C 16.996 . 1 248 41 41 ILE CG1 C 16.996 . 2 249 41 41 ILE N N 122.778 . 1 250 42 42 CYS H H 9.112 . 1 251 42 42 CYS HA H 4.924 . 1 252 42 42 CYS HB2 H 2.540 . 2 253 42 42 CYS HB3 H 2.655 . 2 254 42 42 CYS CA C 56.384 . 1 255 42 42 CYS CB C 29.795 . 1 256 42 42 CYS N N 127.039 . 1 257 43 43 ARG H H 9.062 . 1 258 43 43 ARG HA H 5.118 . 1 259 43 43 ARG HB2 H 1.540 . 2 260 43 43 ARG HB3 H 1.620 . 2 261 43 43 ARG HD2 H 3.002 . 2 262 43 43 ARG HG2 H 1.345 . 2 263 43 43 ARG HG3 H 1.380 . 2 264 43 43 ARG CA C 54.510 . 1 265 43 43 ARG CB C 33.657 . 1 266 43 43 ARG CD C 43.395 . 1 267 43 43 ARG CG C 27.653 . 1 268 43 43 ARG N N 109.577 . 1 269 44 44 ILE H H 9.361 . 1 270 44 44 ILE HA H 4.673 . 1 271 44 44 ILE HB H 1.404 . 1 272 44 44 ILE HD1 H 0.309 . 1 273 44 44 ILE HG12 H 0.594 . 1 274 44 44 ILE HG2 H 0.634 . 2 275 44 44 ILE CA C 59.477 . 1 276 44 44 ILE CB C 40.610 . 1 277 44 44 ILE CG1 C 27.168 . 2 278 44 44 ILE CG2 C 15.785 . 1 279 44 44 ILE N N 127.835 . 1 280 45 45 THR H H 8.558 . 1 281 45 45 THR HA H 4.861 . 1 282 45 45 THR HB H 4.666 . 1 283 45 45 THR HG1 H 0.329 . 1 284 45 45 THR HG2 H 0.309 . 1 285 45 45 THR CA C 61.253 . 1 286 45 45 THR CB C 70.106 . 1 287 45 45 THR N N 121.115 . 1 288 46 46 LEU H H 8.594 . 1 289 46 46 LEU HA H 4.491 . 1 290 46 46 LEU HB2 H 1.331 . 2 291 46 46 LEU HB3 H 1.902 . 2 292 46 46 LEU HD1 H 0.681 . 2 293 46 46 LEU HD2 H 24.504 . 2 294 46 46 LEU CA C 53.146 . 1 295 46 46 LEU CB C 39.940 . 1 296 46 46 LEU CD1 C 24.988 . 1 297 46 46 LEU CD2 C 0.622 . 1 298 46 46 LEU N N 127.977 . 1 299 48 48 ALA H H 8.359 . 1 300 48 48 ALA HA H 4.059 . 1 301 48 48 ALA HB H 1.401 . 1 302 48 48 ALA CA C 54.472 . 1 303 48 48 ALA CB C 18.791 . 1 304 48 48 ALA N N 121.680 . 1 305 49 49 ASN H H 8.140 . 1 306 49 49 ASN HA H 4.500 . 1 307 49 49 ASN HB2 H 3.091 . 2 308 49 49 ASN HB3 H 2.787 . 2 309 49 49 ASN CA C 53.521 . 1 310 49 49 ASN CB C 36.939 . 1 311 49 49 ASN N N 109.801 . 1 312 50 50 ALA H H 7.937 . 1 313 50 50 ALA HA H 4.638 . 1 314 50 50 ALA HB H 1.584 . 1 315 50 50 ALA CA C 50.718 . 1 316 50 50 ALA CB C 19.231 . 1 317 50 50 ALA N N 123.150 . 1 318 51 51 PRO HA H 4.419 . 1 319 51 51 PRO HB2 H 1.944 . 2 320 51 51 PRO HB3 H 2.264 . 2 321 51 51 PRO HD2 H 3.580 . 2 322 51 51 PRO HD3 H 3.733 . 2 323 51 51 PRO HG2 H 1.665 . 2 324 51 51 PRO HG3 H 2.076 . 2 325 51 51 PRO CA C 64.407 . 1 326 51 51 PRO CB C 31.831 . 1 327 51 51 PRO CD C 50.661 . 1 328 52 52 ILE H H 6.601 . 1 329 52 52 ILE HA H 4.307 . 1 330 52 52 ILE HB H 1.576 . 1 331 52 52 ILE HD1 H 0.756 . 1 332 52 52 ILE HG12 H 1.243 . 1 333 52 52 ILE HG2 H 0.682 . 2 334 52 52 ILE CA C 59.462 . 1 335 52 52 ILE CB C 41.622 . 1 336 52 52 ILE CD1 C 17.722 . 1 337 52 52 ILE CG1 C 27.895 . 2 338 52 52 ILE CG2 C 14.090 . 1 339 52 52 ILE N N 113.471 . 1 340 53 53 SER H H 8.306 . 1 341 53 53 SER HA H 4.301 . 1 342 53 53 SER HB2 H 3.770 . 2 343 53 53 SER HG H 1.573 . 1 344 53 53 SER CA C 59.315 . 1 345 53 53 SER CB C 64.646 . 1 346 53 53 SER N N 115.152 . 1 347 54 54 GLU H H 7.490 . 1 348 54 54 GLU HA H 5.385 . 1 349 54 54 GLU HB2 H 1.774 . 2 350 54 54 GLU HB3 H 1.852 . 2 351 54 54 GLU HG2 H 2.045 . 2 352 54 54 GLU HG3 H 2.077 . 2 353 54 54 GLU CA C 54.963 . 1 354 54 54 GLU CB C 33.082 . 1 355 54 54 GLU CG C 35.887 . 1 356 54 54 GLU N N 117.625 . 1 357 55 55 ILE H H 8.392 . 1 358 55 55 ILE HA H 4.331 . 1 359 55 55 ILE HB H 1.573 . 1 360 55 55 ILE HD1 H 0.789 . 1 361 55 55 ILE HG12 H 1.122 . 1 362 55 55 ILE HG13 H 1.525 . 1 363 55 55 ILE HG2 H 0.858 . 2 364 55 55 ILE CA C 59.927 . 1 365 55 55 ILE CB C 42.013 . 1 366 55 55 ILE CD1 C 25.231 . 1 367 55 55 ILE CG2 C 24.988 . 1 368 55 55 ILE N N 122.174 . 1 369 56 56 GLU H H 8.490 . 1 370 56 56 GLU HA H 5.426 . 1 371 56 56 GLU HB2 H 1.794 . 2 372 56 56 GLU HB3 H 1.969 . 2 373 56 56 GLU HG2 H 2.165 . 2 374 56 56 GLU CA C 54.601 . 1 375 56 56 GLU CB C 33.369 . 1 376 56 56 GLU CG C 37.341 . 1 377 56 56 GLU N N 125.031 . 1 378 57 57 SER H H 8.914 . 1 379 57 57 SER HA H 4.315 . 1 380 57 57 SER HB2 H 2.611 . 2 381 57 57 SER HB3 H 2.750 . 2 382 57 57 SER CA C 58.468 . 1 383 57 57 SER CB C 67.931 . 1 384 57 57 SER N N 116.661 . 1 385 58 58 SER H H 8.161 . 1 386 58 58 SER HA H 4.323 . 1 387 58 58 SER HB2 H 2.859 . 2 388 58 58 SER HB3 H 3.043 . 2 389 58 58 SER CA C 59.077 . 1 390 58 58 SER CB C 64.162 . 1 391 58 58 SER N N 112.493 . 1 392 59 59 LEU H H 8.306 . 1 393 59 59 LEU HA H 4.307 . 1 394 59 59 LEU HB2 H 1.335 . 2 395 59 59 LEU HB3 H 1.732 . 2 396 59 59 LEU HD1 H 0.765 . 2 397 59 59 LEU HG H 1.275 . 1 398 59 59 LEU CA C 56.542 . 1 399 59 59 LEU CB C 41.643 . 1 400 59 59 LEU CD1 C 25.231 . 1 401 59 59 LEU CG C 27.895 . 1 402 59 59 LEU N N 124.648 . 1 403 60 60 LEU H H 8.657 . 1 404 60 60 LEU HA H 5.062 . 1 405 60 60 LEU HB2 H 1.436 . 2 406 60 60 LEU HB3 H 1.566 . 2 407 60 60 LEU HD1 H 0.941 . 2 408 60 60 LEU HD2 H 0.866 . 2 409 60 60 LEU HG H 1.427 . 1 410 60 60 LEU CA C 52.296 . 1 411 60 60 LEU CB C 45.879 . 1 412 60 60 LEU CD1 C 23.051 . 1 413 60 60 LEU CD2 C 26.684 . 1 414 60 60 LEU CG C 27.894 . 1 415 60 60 LEU N N 112.182 . 1 416 61 61 PRO HA H 4.547 . 1 417 61 61 PRO HB2 H 1.881 . 2 418 61 61 PRO HB3 H 2.216 . 2 419 61 61 PRO HD2 H 3.565 . 2 420 61 61 PRO HD3 H 3.749 . 2 421 61 61 PRO HG2 H 1.967 . 2 422 61 61 PRO CA C 64.897 . 1 423 61 61 PRO CB C 32.085 . 1 424 61 61 PRO CD C 50.661 . 1 425 61 61 PRO CG C 27.410 . 1 426 62 62 SER H H 7.033 . 1 427 62 62 SER HA H 4.823 . 1 428 62 62 SER HB2 H 3.847 . 2 429 62 62 SER HB3 H 4.191 . 2 430 62 62 SER CA C 56.394 . 1 431 62 62 SER CB C 66.573 . 1 432 62 62 SER N N 109.246 . 1 433 63 63 THR H H 8.796 . 1 434 63 63 THR HA H 3.633 . 1 435 63 63 THR HB H 3.320 . 1 436 63 63 THR HG2 H 0.583 . 1 437 63 63 THR CA C 65.773 . 1 438 63 63 THR CB C 67.798 . 1 439 63 63 THR N N 115.874 . 1 440 64 64 GLU H H 8.302 . 1 441 64 64 GLU HA H 3.898 . 1 442 64 64 GLU HB2 H 1.853 . 2 443 64 64 GLU HB3 H 1.949 . 2 444 64 64 GLU HG2 H 2.205 . 2 445 64 64 GLU CA C 59.925 . 1 446 64 64 GLU CB C 29.160 . 1 447 64 64 GLU CG C 35.887 . 1 448 64 64 GLU N N 121.403 . 1 449 65 65 ALA H H 7.969 . 1 450 65 65 ALA HA H 4.058 . 1 451 65 65 ALA HB H 1.403 . 1 452 65 65 ALA CA C 54.966 . 1 453 65 65 ALA CB C 18.762 . 1 454 65 65 ALA N N 121.221 . 1 455 66 66 ALA H H 8.164 . 1 456 66 66 ALA HA H 4.063 . 1 457 66 66 ALA HB H 1.403 . 1 458 66 66 ALA CA C 54.846 . 1 459 66 66 ALA CB C 18.875 . 1 460 66 66 ALA N N 121.842 . 1 461 67 67 LYS H H 8.786 . 1 462 67 67 LYS HA H 4.406 . 1 463 67 67 LYS HB2 H 2.140 . 2 464 67 67 LYS HB3 H 1.993 . 2 465 67 67 LYS HD2 H 0.857 . 2 466 67 67 LYS HG2 H 1.633 . 2 467 67 67 LYS CA C 60.429 . 1 468 67 67 LYS CB C 33.432 . 1 469 67 67 LYS N N 120.207 . 1 470 68 68 LYS H H 7.902 . 1 471 68 68 LYS CA C 60.652 . 1 472 68 68 LYS CB C 32.684 . 1 473 68 68 LYS N N 118.874 . 1 474 69 69 ASP H H 7.929 . 1 475 69 69 ASP HA H 4.353 . 1 476 69 69 ASP HB2 H 2.611 . 2 477 69 69 ASP HB3 H 2.752 . 2 478 69 69 ASP CA C 58.352 . 1 479 69 69 ASP CB C 44.549 . 1 480 69 69 ASP N N 118.386 . 1 481 70 70 ALA H H 8.455 . 1 482 70 70 ALA HA H 3.769 . 1 483 70 70 ALA HB H 1.479 . 1 484 70 70 ALA CA C 55.690 . 1 485 70 70 ALA CB C 18.394 . 1 486 70 70 ALA N N 118.580 . 1 487 71 71 CYS H H 8.253 . 1 488 71 71 CYS HA H 3.883 . 1 489 71 71 CYS HB2 H 2.419 . 2 490 71 71 CYS HB3 H 3.142 . 2 491 71 71 CYS CA C 64.773 . 1 492 71 71 CYS CB C 26.864 . 1 493 71 71 CYS N N 115.224 . 1 494 72 72 LEU H H 8.284 . 1 495 72 72 LEU HA H 3.954 . 1 496 72 72 LEU HB2 H 1.777 . 2 497 72 72 LEU HD1 H 0.832 . 2 498 72 72 LEU HD2 H 0.802 . 2 499 72 72 LEU HG H 1.585 . 1 500 72 72 LEU CA C 58.489 . 1 501 72 72 LEU CB C 41.878 . 1 502 72 72 LEU N N 121.838 . 1 503 73 73 LYS H H 8.092 . 1 504 73 73 LYS HA H 3.938 . 1 505 73 73 LYS HB2 H 1.697 . 2 506 73 73 LYS HB3 H 1.790 . 2 507 73 73 LYS HD2 H 1.305 . 2 508 73 73 LYS HE2 H 2.917 . 2 509 73 73 LYS HG2 H 1.598 . 2 510 73 73 LYS CA C 60.240 . 1 511 73 73 LYS CB C 33.040 . 1 512 73 73 LYS CD C 24.504 . 1 513 73 73 LYS CG C 28.621 . 1 514 73 73 LYS N N 119.660 . 1 515 74 74 ALA H H 8.471 . 1 516 74 74 ALA HA H 3.793 . 1 517 74 74 ALA HB H 1.332 . 1 518 74 74 ALA CA C 55.812 . 1 519 74 74 ALA CB C 18.876 . 1 520 74 74 ALA N N 121.040 . 1 521 75 75 VAL H H 8.333 . 1 522 75 75 VAL HA H 3.424 . 1 523 75 75 VAL HB H 2.093 . 1 524 75 75 VAL HG1 H 0.791 . 2 525 75 75 VAL HG2 H 1.030 . 2 526 75 75 VAL CA C 67.194 . 1 527 75 75 VAL CB C 31.353 . 1 528 75 75 VAL CG1 C 21.840 . 1 529 75 75 VAL CG2 C 23.535 . 1 530 75 75 VAL N N 115.282 . 1 531 76 76 HIS HA H 4.270 . 1 532 76 76 HIS HB2 H 1.599 . 2 533 76 76 HIS HB3 H 1.959 . 2 534 76 76 HIS CA C 55.400 . 1 535 76 76 HIS CB C 29.100 . 1 536 77 77 GLU H H 8.221 . 1 537 77 77 GLU HA H 4.089 . 1 538 77 77 GLU HB2 H 1.951 . 2 539 77 77 GLU HG2 H 2.268 . 2 540 77 77 GLU HG3 H 2.394 . 2 541 77 77 GLU CA C 59.448 . 1 542 77 77 GLU CB C 29.170 . 1 543 77 77 GLU CG C 35.645 . 1 544 77 77 GLU N N 119.087 . 1 545 78 78 LEU H H 8.310 . 1 546 78 78 LEU HA H 3.761 . 1 547 78 78 LEU HB2 H 0.689 . 2 548 78 78 LEU HB3 H 1.636 . 2 549 78 78 LEU HD1 H 0.368 . 2 550 78 78 LEU HG H 1.644 . 1 551 78 78 LEU CA C 57.882 . 1 552 78 78 LEU CB C 41.278 . 1 553 78 78 LEU CD1 C 22.082 . 1 554 78 78 LEU CG C 26.442 . 1 555 78 78 LEU N N 119.214 . 1 556 79 79 HIS H H 8.755 . 1 557 79 79 HIS HA H 4.340 . 1 558 79 79 HIS HB2 H 3.099 . 2 559 79 79 HIS HB3 H 3.292 . 2 560 79 79 HIS CA C 59.003 . 1 561 79 79 HIS CB C 29.909 . 1 562 79 79 HIS N N 119.393 . 1 563 80 80 ASN H H 8.245 . 1 564 80 80 ASN HA H 4.251 . 1 565 80 80 ASN HB2 H 2.809 . 2 566 80 80 ASN HB3 H 2.869 . 2 567 80 80 ASN HD21 H 7.535 . 2 568 80 80 ASN HD22 H 6.602 . 2 569 80 80 ASN CA C 55.843 . 1 570 80 80 ASN CB C 37.909 . 1 571 80 80 ASN N N 120.708 . 1 572 81 81 LEU H H 7.602 . 1 573 81 81 LEU HA H 4.243 . 1 574 81 81 LEU HB2 H 1.611 . 2 575 81 81 LEU HB3 H 1.841 . 2 576 81 81 LEU HD1 H 0.753 . 2 577 81 81 LEU HD2 H 0.849 . 2 578 81 81 LEU HG H 1.828 . 1 579 81 81 LEU CA C 55.713 . 1 580 81 81 LEU CB C 43.337 . 1 581 81 81 LEU CD1 C 25.957 . 1 582 81 81 LEU CD2 C 22.324 . 1 583 81 81 LEU CG C 26.684 . 1 584 81 81 LEU N N 118.088 . 1 585 82 82 GLY H H 7.746 . 1 586 82 82 GLY HA2 H 3.817 . 2 587 82 82 GLY HA3 H 4.106 . 2 588 82 82 GLY CA C 46.131 . 1 589 82 82 GLY N N 127.503 . 1 590 83 83 VAL H H 6.986 . 1 591 83 83 VAL HA H 4.523 . 1 592 83 83 VAL HB H 2.682 . 1 593 83 83 VAL HG1 H 0.694 . 2 594 83 83 VAL HG2 H 0.842 . 2 595 83 83 VAL CA C 61.621 . 1 596 83 83 VAL CB C 31.584 . 1 597 83 83 VAL CG1 C 19.660 . 1 598 83 83 VAL CG2 C 21.597 . 1 599 83 83 VAL N N 108.299 . 1 600 84 84 LEU H H 7.956 . 1 601 84 84 LEU CA C 53.965 . 1 602 84 84 LEU CB C 43.099 . 1 603 84 84 LEU N N 121.123 . 1 604 85 85 ASN HA H 4.456 . 1 605 85 85 ASN HB2 H 2.756 . 2 606 85 85 ASN HD21 H 7.571 . 2 607 85 85 ASN HD22 H 6.903 . 2 608 85 85 ASN CA C 55.344 . 1 609 85 85 ASN CB C 38.494 . 1 610 85 85 ASN ND2 N 112.807 . 1 611 86 86 ASP H H 8.495 . 1 612 86 86 ASP HA H 4.371 . 1 613 86 86 ASP HB2 H 2.198 . 2 614 86 86 ASP HB3 H 2.417 . 2 615 86 86 ASP CA C 55.317 . 1 616 86 86 ASP CB C 40.431 . 1 617 86 86 ASP N N 117.445 . 1 618 87 87 PHE H H 7.776 . 1 619 87 87 PHE HA H 4.573 . 1 620 87 87 PHE HB2 H 2.855 . 2 621 87 87 PHE HB3 H 3.112 . 2 622 87 87 PHE CA C 57.757 . 1 623 87 87 PHE CB C 40.282 . 1 624 87 87 PHE N N 117.213 . 1 625 88 88 LEU H H 7.677 . 1 626 88 88 LEU HA H 4.347 . 1 627 88 88 LEU HB2 H 1.521 . 2 628 88 88 LEU HB3 H 1.569 . 2 629 88 88 LEU HD1 H 0.784 . 2 630 88 88 LEU HD2 H 0.753 . 2 631 88 88 LEU HG H 1.548 . 1 632 88 88 LEU CA C 54.726 . 1 633 88 88 LEU CB C 42.485 . 1 634 88 88 LEU CD1 C 23.293 . 1 635 88 88 LEU CD2 C 23.293 . 1 636 88 88 LEU N N 120.864 . 1 637 89 89 LEU H H 8.047 . 1 638 89 89 LEU HA H 4.515 . 1 639 89 89 LEU HB2 H 1.535 . 2 640 89 89 LEU HB3 H 1.569 . 2 641 89 89 LEU HD1 H 0.798 . 2 642 89 89 LEU HD2 H 0.750 . 2 643 89 89 LEU HG H 1.481 . 1 644 89 89 LEU CA C 53.158 . 1 645 89 89 LEU CB C 41.643 . 1 646 89 89 LEU N N 123.495 . 1 647 90 90 PRO HA H 4.340 . 1 648 90 90 PRO HB2 H 1.859 . 2 649 90 90 PRO HB3 H 2.218 . 2 650 90 90 PRO HD2 H 3.580 . 2 651 90 90 PRO HD3 H 3.731 . 2 652 90 90 PRO HG2 H 1.955 . 2 653 90 90 PRO CA C 63.562 . 1 654 90 90 PRO CB C 32.078 . 1 655 90 90 PRO CD C 50.662 . 1 656 90 90 PRO CG C 27.168 . 1 657 91 91 ASP H H 8.341 . 1 658 91 91 ASP HA H 4.515 . 1 659 91 91 ASP HB2 H 2.514 . 2 660 91 91 ASP HB3 H 2.654 . 2 661 91 91 ASP CA C 54.466 . 1 662 91 91 ASP CB C 41.264 . 1 663 91 91 ASP N N 119.464 . 1 664 92 92 SER H H 8.035 . 1 665 92 92 SER HA H 4.340 . 1 666 92 92 SER HB2 H 3.796 . 2 667 92 92 SER HB3 H 3.846 . 2 668 92 92 SER CA C 58.858 . 1 669 92 92 SER CB C 64.054 . 1 670 92 92 SER N N 115.696 . 1 671 93 93 LYS H H 8.338 . 1 672 93 93 LYS HA H 4.266 . 1 673 93 93 LYS HB2 H 1.709 . 2 674 93 93 LYS HB3 H 1.798 . 2 675 93 93 LYS HD2 H 1.347 . 2 676 93 93 LYS HE2 H 2.916 . 2 677 93 93 LYS HG2 H 1.348 . 2 678 93 93 LYS CA C 56.860 . 1 679 93 93 LYS CB C 32.839 . 1 680 93 93 LYS CD C 24.746 . 1 681 93 93 LYS N N 122.685 . 1 682 94 94 ASP H H 8.174 . 1 683 94 94 ASP HA H 4.531 . 1 684 94 94 ASP HB2 H 2.510 . 2 685 94 94 ASP HB3 H 2.643 . 2 686 94 94 ASP CA C 54.850 . 1 687 94 94 ASP CB C 41.392 . 1 688 94 94 ASP N N 120.520 . 1 689 95 95 GLU H H 8.120 . 1 690 95 95 GLU HA H 4.259 . 1 691 95 95 GLU HB2 H 1.860 . 2 692 95 95 GLU HB3 H 1.963 . 2 693 95 95 GLU HG2 H 2.165 . 2 694 95 95 GLU CA C 56.546 . 1 695 95 95 GLU CB C 30.502 . 1 696 95 95 GLU CG C 36.372 . 1 697 95 95 GLU N N 120.323 . 1 698 96 96 ILE H H 8.072 . 1 699 96 96 ILE HA H 4.080 . 1 700 96 96 ILE HB H 1.775 . 1 701 96 96 ILE HD1 H 0.794 . 1 702 96 96 ILE HG12 H 1.069 . 1 703 96 96 ILE HG13 H 1.369 . 1 704 96 96 ILE CA C 56.664 . 1 705 96 96 ILE CB C 38.974 . 1 706 96 96 ILE CD1 C 17.480 . 1 707 96 96 ILE CG1 C 27.410 . 2 708 96 96 ILE N N 121.263 . 1 709 97 97 GLU H H 8.383 . 1 710 97 97 GLU HA H 4.245 . 1 711 97 97 GLU HB2 H 1.857 . 2 712 97 97 GLU HB3 H 1.970 . 2 713 97 97 GLU HG2 H 2.184 . 2 714 97 97 GLU HG3 H 2.203 . 2 715 97 97 GLU CA C 56.719 . 1 716 97 97 GLU CB C 30.380 . 1 717 97 97 GLU CG C 36.372 . 1 718 97 97 GLU N N 124.788 . 1 719 98 98 ASP H H 8.238 . 1 720 98 98 ASP HA H 4.499 . 1 721 98 98 ASP HB2 H 2.509 . 2 722 98 98 ASP HB3 H 2.614 . 2 723 98 98 ASP CA C 54.682 . 1 724 98 98 ASP CB C 41.478 . 1 725 98 98 ASP N N 121.513 . 1 726 99 99 GLU H H 8.297 . 1 727 99 99 GLU HA H 4.202 . 1 728 99 99 GLU HB2 H 1.862 . 2 729 99 99 GLU HB3 H 1.965 . 2 730 99 99 GLU HG2 H 2.144 . 2 731 99 99 GLU HG3 H 2.199 . 2 732 99 99 GLU CA C 56.649 . 1 733 99 99 GLU CB C 30.451 . 1 734 99 99 GLU CG C 36.372 . 1 735 99 99 GLU N N 120.972 . 1 736 100 100 LEU H H 8.200 . 1 737 100 100 LEU HA H 4.323 . 1 738 100 100 LEU HB2 H 1.508 . 2 739 100 100 LEU HB3 H 1.585 . 2 740 100 100 LEU HD1 H 0.815 . 2 741 100 100 LEU HD2 H 0.757 . 2 742 100 100 LEU CA C 55.090 . 1 743 100 100 LEU CB C 42.372 . 1 744 100 100 LEU CD1 C 24.988 . 1 745 100 100 LEU CD2 C 17.722 . 1 746 100 100 LEU N N 122.917 . 1 747 101 101 SER H H 8.135 . 1 748 101 101 SER HA H 4.392 . 1 749 101 101 SER HB2 H 3.786 . 2 750 101 101 SER CA C 58.353 . 1 751 101 101 SER CB C 64.414 . 1 752 101 101 SER N N 116.914 . 1 753 102 102 ASP H H 7.931 . 1 754 102 102 ASP HA H 4.325 . 1 755 102 102 ASP HB2 H 2.480 . 2 756 102 102 ASP HB3 H 2.584 . 2 757 102 102 ASP CA C 56.189 . 1 758 102 102 ASP CB C 42.292 . 1 759 102 102 ASP N N 127.636 . 1 stop_ save_