data_15060 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the murine DLC2 (deleted in liver cancer -2) SAM (sterile alpha motif) domain ; _BMRB_accession_number 15060 _BMRB_flat_file_name bmr15060.str _Entry_type original _Submission_date 2006-11-30 _Accession_date 2006-11-30 _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 Donaldson Logan W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 477 "13C chemical shifts" 321 "15N chemical shifts" 94 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-10-16 original author . stop_ _Original_release_date 2007-10-16 save_ ############################# # Citation for this entry # ############################# save_primary_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The NMR structure of the murine DLC2 SAM domain reveals a variant fold that is similar to an anti-parallel four helix bundle' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17519008 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kwan Jamie J. . 2 Donaldson Logan W. . stop_ _Journal_abbreviation 'BMC Struct. Biol.' _Journal_volume 7 _Journal_issue 34 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2007 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'monomeric DLC2 SAM domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'monomeric DLC2 SAM domain' $DLC2_SAM_domain stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_DLC2_SAM_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common DLC2_SAM_domain _Molecular_mass 7167.181 _Mol_thiol_state 'all free' loop_ _Biological_function 'possible ligand binding domain' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 107 _Mol_residue_sequence ; GSSHHHHHHSSGLVPRGSML VTKIQQEIEAKEACDWLRAA GFPQYAQLYEDSQFPINIAA VKKDHDFLERDLVEPLCRRL NTLNKCASMRLDVNFQRKKG DDSDEED ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 HIS 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 SER 11 SER 12 GLY 13 LEU 14 VAL 15 PRO 16 ARG 17 GLY 18 SER 19 MET 20 LEU 21 VAL 22 THR 23 LYS 24 ILE 25 GLN 26 GLN 27 GLU 28 ILE 29 GLU 30 ALA 31 LYS 32 GLU 33 ALA 34 CYS 35 ASP 36 TRP 37 LEU 38 ARG 39 ALA 40 ALA 41 GLY 42 PHE 43 PRO 44 GLN 45 TYR 46 ALA 47 GLN 48 LEU 49 TYR 50 GLU 51 ASP 52 SER 53 GLN 54 PHE 55 PRO 56 ILE 57 ASN 58 ILE 59 ALA 60 ALA 61 VAL 62 LYS 63 LYS 64 ASP 65 HIS 66 ASP 67 PHE 68 LEU 69 GLU 70 ARG 71 ASP 72 LEU 73 VAL 74 GLU 75 PRO 76 LEU 77 CYS 78 ARG 79 ARG 80 LEU 81 ASN 82 THR 83 LEU 84 ASN 85 LYS 86 CYS 87 ALA 88 SER 89 MET 90 ARG 91 LEU 92 ASP 93 VAL 94 ASN 95 PHE 96 GLN 97 ARG 98 LYS 99 LYS 100 GLY 101 ASP 102 ASP 103 SER 104 ASP 105 GLU 106 GLU 107 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 GB AAH27830 "StAR-related lipid transfer (START) domain containing 13 [Mus musculus]" 82.24 1113 100.00 100.00 3.47e-52 GB AGV29471 "StAR-related lipid transfer domain containing 13 [Rattus norvegicus]" 82.24 1112 100.00 100.00 5.08e-52 GB AGV29472 "StAR-related lipid transfer domain containing 13 [Rattus norvegicus]" 82.24 1112 100.00 100.00 5.08e-52 GB EDL05887 "serologically defined colon cancer antigen 13, isoform CRA_a, partial [Mus musculus]" 82.24 1121 100.00 100.00 3.31e-52 GB EDL05888 "serologically defined colon cancer antigen 13, isoform CRA_b, partial [Mus musculus]" 82.24 1140 100.00 100.00 3.72e-52 REF NP_001102530 "stAR-related lipid transfer protein 13 [Rattus norvegicus]" 82.24 1112 100.00 100.00 5.08e-52 REF NP_001156965 "stAR-related lipid transfer protein 13 isoform 1 [Mus musculus]" 82.24 1132 100.00 100.00 3.83e-52 REF NP_666370 "stAR-related lipid transfer protein 13 isoform 2 [Mus musculus]" 82.24 1113 100.00 100.00 3.64e-52 REF XP_005083217 "PREDICTED: stAR-related lipid transfer protein 13 isoform X1 [Mesocricetus auratus]" 82.24 1131 97.73 97.73 1.02e-50 REF XP_005083218 "PREDICTED: stAR-related lipid transfer protein 13 isoform X2 [Mesocricetus auratus]" 82.24 1112 97.73 97.73 1.06e-50 SP Q923Q2 "RecName: Full=StAR-related lipid transfer protein 13; AltName: Full=START domain-containing protein 13; Short=StARD13" 82.24 1113 100.00 100.00 3.64e-52 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $DLC2_SAM_domain 'House mouse' 10090 Eukaryota Metazoa Mus musculus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name _Details $DLC2_SAM_domain 'recombinant technology' . Escherichia coli BL21 DE3 pET15b 'A DNA fragment from IMAGE cDNA 5320966 was amplified by PCR and inserted into NdeI and BamHI restriction sites of pET15b' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_primary_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $DLC2_SAM_domain 0.9 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 0.15 M 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.16.0 loop_ _Vendor _Address _Electronic_address 'Berjanskii, Neal, Wishart' . http://wishart.biology.ualberta.ca/shiftor/cgi-bin/preditor_current.py 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 'Guntert, Mumenthaler and Wuthrich' . . 'Johnson, One Moon Scientific' . . 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'chemical shift assignment' processing refinement 'structure solution' stop_ _Details ; Using CYANA 2.1, 25 structures calculated from an initial ensemble of 250 structures. Further refinement of the 25 structures in water was performed using XPLOR NIH 2.16.0. A total of 10 lowest structures were selected as the final deposited ensemble. ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model NMRS _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $primary_sample save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $primary_sample save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $primary_sample save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $primary_sample save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $primary_sample save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $primary_sample save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $primary_sample save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $primary_sample save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $primary_sample save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $primary_sample save_ save_3D_1H-13C_aromatic_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C aromatic NOESY' _Sample_label $primary_sample save_ save_2D_aromatic_(HB)CB(CGCD)HD_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D aromatic (HB)CB(CGCD)HD' _Sample_label $primary_sample save_ save_2D_aromatic_(HB)CB(CGCDCE)HE_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D aromatic (HB)CB(CGCDCE)HE' _Sample_label $primary_sample save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details '0.9 mM protein concentration in a buffer comprised of 20 mM sodium phosphate, pH 7.8, 0.15 M sodium chloride, 0.05 % sodium azide' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 7.8 . pH pressure 1 . atm temperature 295 . 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $primary_citation $primary_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $primary_citation $primary_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $primary_citation $primary_citation 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 $X-PLOR_NIH stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCACB' '3D H(CCO)NH' '3D HCCH-TOCSY' '2D aromatic (HB)CB(CGCD)HD' '2D aromatic (HB)CB(CGCDCE)HE' stop_ loop_ _Sample_label $primary_sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'monomeric DLC2 SAM 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 20 20 LEU H H 8.149 . 1 2 20 20 LEU CA C 56.016 . 1 3 20 20 LEU CB C 42.180 . 1 4 20 20 LEU N N 122.739 . 1 5 21 21 VAL H H 8.048 . 1 6 21 21 VAL CA C 63.412 . 1 7 21 21 VAL CB C 32.236 . 1 8 21 21 VAL N N 120.251 . 1 9 22 22 THR H H 8.032 . 1 10 22 22 THR HA H 4.310 . 1 11 22 22 THR HG2 H 1.240 . 1 12 22 22 THR CA C 63.154 . 1 13 22 22 THR CB C 69.934 . 1 14 22 22 THR CG2 C 21.960 . 1 15 22 22 THR N N 116.327 . 1 16 23 23 LYS HA H 4.160 . 1 17 23 23 LYS HB2 H 1.870 . 1 18 23 23 LYS HB3 H 1.870 . 1 19 23 23 LYS HG2 H 1.680 . 1 20 23 23 LYS HG3 H 1.680 . 1 21 23 23 LYS HD2 H 1.410 . 2 22 23 23 LYS HD3 H 1.500 . 2 23 23 23 LYS HE2 H 2.980 . 1 24 23 23 LYS HE3 H 2.980 . 1 25 23 23 LYS CA C 58.450 . 1 26 23 23 LYS CB C 32.578 . 1 27 23 23 LYS CG C 29.110 . 1 28 23 23 LYS CD C 24.850 . 1 29 23 23 LYS CE C 41.670 . 1 30 24 24 ILE H H 8.033 . 1 31 24 24 ILE HA H 3.950 . 1 32 24 24 ILE HG2 H 0.920 . 1 33 24 24 ILE HD1 H 0.863 . 1 34 24 24 ILE CA C 63.567 . 1 35 24 24 ILE CB C 38.124 . 1 36 24 24 ILE CG2 C 17.230 . 1 37 24 24 ILE CD1 C 13.140 . 1 38 24 24 ILE N N 119.731 . 1 39 25 25 GLN H H 8.021 . 1 40 25 25 GLN HA H 4.060 . 1 41 25 25 GLN HB2 H 2.420 . 1 42 25 25 GLN HB3 H 2.420 . 1 43 25 25 GLN HE21 H 7.703 . 2 44 25 25 GLN HE22 H 6.839 . 2 45 25 25 GLN C C 178.193 . 1 46 25 25 GLN CA C 58.346 . 1 47 25 25 GLN CB C 28.102 . 1 48 25 25 GLN CG C 33.570 . 1 49 25 25 GLN N N 121.400 . 1 50 25 25 GLN NE2 N 112.158 . 1 51 26 26 GLN H H 8.313 . 1 52 26 26 GLN HA H 4.110 . 1 53 26 26 GLN HB2 H 2.560 . 2 54 26 26 GLN HB3 H 2.420 . 2 55 26 26 GLN HE21 H 7.393 . 2 56 26 26 GLN HE22 H 6.770 . 2 57 26 26 GLN C C 177.820 . 1 58 26 26 GLN CA C 58.680 . 1 59 26 26 GLN CB C 28.504 . 1 60 26 26 GLN CG C 34.510 . 1 61 26 26 GLN N N 119.279 . 1 62 26 26 GLN NE2 N 111.116 . 1 63 27 27 GLU H H 8.197 . 1 64 27 27 GLU HA H 4.097 . 1 65 27 27 GLU HB2 H 2.290 . 2 66 27 27 GLU HB3 H 2.500 . 2 67 27 27 GLU C C 179.687 . 1 68 27 27 GLU CA C 59.200 . 1 69 27 27 GLU CB C 29.287 . 1 70 27 27 GLU CG C 36.580 . 1 71 27 27 GLU N N 119.648 . 1 72 28 28 ILE H H 8.021 . 1 73 28 28 ILE HA H 4.000 . 1 74 28 28 ILE HG2 H 0.950 . 1 75 28 28 ILE HD1 H 0.950 . 1 76 28 28 ILE C C 178.465 . 1 77 28 28 ILE CA C 65.110 . 1 78 28 28 ILE CB C 37.963 . 1 79 28 28 ILE CG2 C 17.510 . 1 80 28 28 ILE CD1 C 13.460 . 1 81 28 28 ILE N N 121.869 . 1 82 29 29 GLU H H 8.269 . 1 83 29 29 GLU HA H 4.020 . 1 84 29 29 GLU HB2 H 2.000 . 2 85 29 29 GLU HB3 H 1.880 . 2 86 29 29 GLU HG2 H 2.200 . 2 87 29 29 GLU HG3 H 2.370 . 2 88 29 29 GLU C C 179.964 . 1 89 29 29 GLU CA C 59.510 . 1 90 29 29 GLU CB C 29.289 . 1 91 29 29 GLU CG C 36.580 . 1 92 29 29 GLU N N 120.647 . 1 93 30 30 ALA H H 8.280 . 1 94 30 30 ALA HA H 3.840 . 1 95 30 30 ALA HB H 1.428 . 1 96 30 30 ALA C C 179.438 . 1 97 30 30 ALA CA C 54.688 . 1 98 30 30 ALA CB C 18.428 . 1 99 30 30 ALA N N 122.373 . 1 100 31 31 LYS H H 7.997 . 1 101 31 31 LYS HA H 4.010 . 1 102 31 31 LYS HB2 H 1.970 . 2 103 31 31 LYS HB3 H 2.020 . 2 104 31 31 LYS HG2 H 0.866 . 2 105 31 31 LYS HG3 H 1.180 . 2 106 31 31 LYS HD2 H 1.530 . 2 107 31 31 LYS HD3 H 1.470 . 2 108 31 31 LYS HE2 H 2.990 . 2 109 31 31 LYS HE3 H 2.870 . 2 110 31 31 LYS CA C 59.510 . 1 111 31 31 LYS CB C 32.153 . 1 112 31 31 LYS CG C 28.700 . 1 113 31 31 LYS CD C 25.070 . 1 114 31 31 LYS CE C 42.080 . 1 115 31 31 LYS N N 120.697 . 1 116 32 32 GLU H H 8.236 . 1 117 32 32 GLU HA H 4.080 . 1 118 32 32 GLU HB2 H 2.110 . 1 119 32 32 GLU HB3 H 2.110 . 1 120 32 32 GLU HG2 H 2.310 . 2 121 32 32 GLU HG3 H 2.550 . 2 122 32 32 GLU CA C 59.970 . 1 123 32 32 GLU CB C 28.940 . 1 124 32 32 GLU CG C 36.728 . 1 125 32 32 GLU N N 118.525 . 1 126 33 33 ALA H H 7.897 . 1 127 33 33 ALA HA H 3.840 . 1 128 33 33 ALA HB H 1.451 . 1 129 33 33 ALA C C 179.722 . 1 130 33 33 ALA CA C 55.470 . 1 131 33 33 ALA CB C 17.690 . 1 132 33 33 ALA N N 121.629 . 1 133 34 34 CYS H H 8.451 . 1 134 34 34 CYS HB2 H 3.280 . 2 135 34 34 CYS HB3 H 2.790 . 2 136 34 34 CYS C C 176.650 . 1 137 34 34 CYS CA C 65.657 . 1 138 34 34 CYS CB C 27.250 . 1 139 34 34 CYS N N 116.884 . 1 140 35 35 ASP H H 8.796 . 1 141 35 35 ASP HA H 4.370 . 1 142 35 35 ASP HB2 H 2.940 . 2 143 35 35 ASP HB3 H 2.710 . 2 144 35 35 ASP CA C 57.540 . 1 145 35 35 ASP CB C 39.903 . 1 146 35 35 ASP N N 120.621 . 1 147 36 36 TRP H H 8.492 . 1 148 36 36 TRP HA H 4.010 . 1 149 36 36 TRP HB2 H 3.369 . 2 150 36 36 TRP HB3 H 3.508 . 2 151 36 36 TRP HD1 H 7.312 . 1 152 36 36 TRP HE1 H 10.148 . 1 153 36 36 TRP HE3 H 6.888 . 1 154 36 36 TRP HZ2 H 7.500 . 1 155 36 36 TRP HZ3 H 7.080 . 1 156 36 36 TRP HH2 H 7.065 . 1 157 36 36 TRP CA C 63.045 . 1 158 36 36 TRP CB C 29.484 . 1 159 36 36 TRP N N 122.912 . 1 160 36 36 TRP NE1 N 130.106 . 1 161 37 37 LEU H H 8.733 . 1 162 37 37 LEU HA H 4.050 . 1 163 37 37 LEU HB2 H 2.230 . 2 164 37 37 LEU HB3 H 1.940 . 2 165 37 37 LEU HD1 H 1.280 . 2 166 37 37 LEU HD2 H 0.880 . 2 167 37 37 LEU CA C 58.680 . 1 168 37 37 LEU CB C 41.367 . 1 169 37 37 LEU CD1 C 25.285 . 1 170 37 37 LEU CD2 C 27.414 . 1 171 37 37 LEU N N 118.921 . 1 172 38 38 ARG H H 8.032 . 1 173 38 38 ARG HA H 3.640 . 1 174 38 38 ARG HB2 H 1.910 . 1 175 38 38 ARG HB3 H 1.910 . 1 176 38 38 ARG HG2 H 1.500 . 1 177 38 38 ARG HG3 H 1.500 . 1 178 38 38 ARG HD2 H 3.230 . 1 179 38 38 ARG HD3 H 3.230 . 1 180 38 38 ARG CA C 61.164 . 1 181 38 38 ARG CB C 30.370 . 1 182 38 38 ARG CD C 43.171 . 1 183 38 38 ARG N N 116.327 . 1 184 39 39 ALA H H 7.900 . 1 185 39 39 ALA HA H 4.030 . 1 186 39 39 ALA HB H 1.307 . 1 187 39 39 ALA C C 178.908 . 1 188 39 39 ALA CA C 54.507 . 1 189 39 39 ALA CB C 18.110 . 1 190 39 39 ALA N N 122.812 . 1 191 40 40 ALA H H 8.067 . 1 192 40 40 ALA HA H 3.930 . 1 193 40 40 ALA HB H 0.440 . 1 194 40 40 ALA C C 176.516 . 1 195 40 40 ALA CA C 51.929 . 1 196 40 40 ALA CB C 18.100 . 1 197 40 40 ALA N N 118.343 . 1 198 41 41 GLY H H 7.093 . 1 199 41 41 GLY HA2 H 3.920 . 2 200 41 41 GLY HA3 H 3.560 . 2 201 41 41 GLY C C 173.204 . 1 202 41 41 GLY CA C 44.660 . 1 203 41 41 GLY N N 101.824 . 1 204 42 42 PHE H H 8.648 . 1 205 42 42 PHE HA H 5.222 . 1 206 42 42 PHE HB2 H 3.500 . 2 207 42 42 PHE HB3 H 2.980 . 2 208 42 42 PHE HD1 H 7.093 . 3 209 42 42 PHE HE1 H 7.174 . 3 210 42 42 PHE HZ H 7.164 . 1 211 42 42 PHE CA C 54.796 . 1 212 42 42 PHE CB C 40.411 . 1 213 42 42 PHE N N 118.308 . 1 214 43 43 PRO HA H 4.040 . 1 215 43 43 PRO HB2 H 1.780 . 2 216 43 43 PRO HB3 H 1.600 . 2 217 43 43 PRO HG2 H 2.140 . 2 218 43 43 PRO HG3 H 2.190 . 2 219 43 43 PRO HD2 H 2.970 . 2 220 43 43 PRO C C 177.948 . 1 221 43 43 PRO CA C 65.740 . 1 222 43 43 PRO CB C 31.390 . 1 223 43 43 PRO CG C 27.140 . 1 224 43 43 PRO CD C 50.790 . 1 225 44 44 GLN H H 10.134 . 1 226 44 44 GLN HA H 4.280 . 1 227 44 44 GLN HB2 H 1.600 . 1 228 44 44 GLN HB3 H 1.600 . 1 229 44 44 GLN HG2 H 2.340 . 1 230 44 44 GLN HG3 H 2.340 . 1 231 44 44 GLN HE21 H 7.600 . 2 232 44 44 GLN HE22 H 7.526 . 2 233 44 44 GLN C C 177.986 . 1 234 44 44 GLN CA C 58.060 . 1 235 44 44 GLN CB C 26.080 . 1 236 44 44 GLN CG C 31.780 . 1 237 44 44 GLN N N 121.355 . 1 238 44 44 GLN NE2 N 111.932 . 1 239 45 45 TYR H H 7.241 . 1 240 45 45 TYR HA H 4.790 . 1 241 45 45 TYR HB2 H 3.320 . 2 242 45 45 TYR HB3 H 3.030 . 2 243 45 45 TYR HD1 H 7.135 . 3 244 45 45 TYR HE1 H 6.846 . 3 245 45 45 TYR C C 176.869 . 1 246 45 45 TYR CA C 60.770 . 1 247 45 45 TYR CB C 39.240 . 1 248 45 45 TYR N N 119.170 . 1 249 46 46 ALA H H 6.875 . 1 250 46 46 ALA HA H 4.310 . 1 251 46 46 ALA HB H 1.600 . 1 252 46 46 ALA C C 178.737 . 1 253 46 46 ALA CA C 54.908 . 1 254 46 46 ALA CB C 18.500 . 1 255 46 46 ALA N N 121.385 . 1 256 47 47 GLN H H 8.114 . 1 257 47 47 GLN HA H 3.910 . 1 258 47 47 GLN HB2 H 2.190 . 2 259 47 47 GLN HB3 H 2.090 . 2 260 47 47 GLN HG2 H 2.420 . 1 261 47 47 GLN HG3 H 2.420 . 1 262 47 47 GLN HE21 H 7.884 . 2 263 47 47 GLN HE22 H 6.867 . 2 264 47 47 GLN C C 177.788 . 1 265 47 47 GLN CA C 58.470 . 1 266 47 47 GLN CB C 28.181 . 1 267 47 47 GLN CG C 33.270 . 1 268 47 47 GLN N N 117.390 . 1 269 47 47 GLN NE2 N 115.368 . 1 270 48 48 LEU H H 7.831 . 1 271 48 48 LEU HA H 4.760 . 1 272 48 48 LEU HG H 1.930 . 1 273 48 48 LEU HD1 H 0.950 . 2 274 48 48 LEU HD2 H 0.970 . 2 275 48 48 LEU CA C 58.303 . 1 276 48 48 LEU CB C 43.630 . 1 277 48 48 LEU CG C 27.530 . 1 278 48 48 LEU CD1 C 23.762 . 1 279 48 48 LEU CD2 C 25.460 . 1 280 48 48 LEU N N 118.032 . 1 281 49 49 TYR H H 7.761 . 1 282 49 49 TYR HA H 3.920 . 1 283 49 49 TYR HB2 H 2.150 . 2 284 49 49 TYR HB3 H 2.930 . 2 285 49 49 TYR HD1 H 6.400 . 3 286 49 49 TYR HE1 H 6.652 . 3 287 49 49 TYR C C 180.267 . 1 288 49 49 TYR CA C 62.289 . 1 289 49 49 TYR CB C 37.537 . 1 290 49 49 TYR CE1 C 115.708 . 3 291 49 49 TYR N N 119.359 . 1 292 50 50 GLU H H 8.499 . 1 293 50 50 GLU HA H 3.860 . 1 294 50 50 GLU HB2 H 2.170 . 2 295 50 50 GLU HB3 H 2.090 . 2 296 50 50 GLU HG2 H 2.400 . 2 297 50 50 GLU HG3 H 2.740 . 2 298 50 50 GLU C C 177.479 . 1 299 50 50 GLU CA C 59.232 . 1 300 50 50 GLU CB C 28.792 . 1 301 50 50 GLU CG C 37.102 . 1 302 50 50 GLU N N 123.085 . 1 303 51 51 ASP H H 8.126 . 1 304 51 51 ASP HA H 4.850 . 1 305 51 51 ASP HB2 H 2.980 . 2 306 51 51 ASP HB3 H 2.730 . 2 307 51 51 ASP C C 175.657 . 1 308 51 51 ASP CA C 54.320 . 1 309 51 51 ASP CB C 40.650 . 1 310 51 51 ASP N N 118.623 . 1 311 52 52 SER H H 7.882 . 1 312 52 52 SER HA H 4.380 . 1 313 52 52 SER HB2 H 4.106 . 2 314 52 52 SER HB3 H 3.833 . 2 315 52 52 SER C C 175.316 . 1 316 52 52 SER CA C 59.600 . 1 317 52 52 SER CB C 61.690 . 1 318 52 52 SER N N 111.515 . 1 319 53 53 GLN H H 8.169 . 1 320 53 53 GLN HA H 4.530 . 1 321 53 53 GLN HB2 H 2.460 . 1 322 53 53 GLN HB3 H 2.460 . 1 323 53 53 GLN HG2 H 2.410 . 2 324 53 53 GLN HG3 H 2.240 . 2 325 53 53 GLN HE21 H 7.337 . 2 326 53 53 GLN HE22 H 6.871 . 2 327 53 53 GLN C C 175.714 . 1 328 53 53 GLN CA C 54.740 . 1 329 53 53 GLN CB C 29.200 . 1 330 53 53 GLN CG C 33.647 . 1 331 53 53 GLN N N 114.417 . 1 332 53 53 GLN NE2 N 113.885 . 1 333 54 54 PHE H H 8.165 . 1 334 54 54 PHE HA H 4.326 . 1 335 54 54 PHE HB2 H 2.637 . 2 336 54 54 PHE HB3 H 2.330 . 2 337 54 54 PHE HD1 H 7.421 . 3 338 54 54 PHE HE1 H 7.603 . 3 339 54 54 PHE HZ H 7.093 . 1 340 54 54 PHE CA C 57.434 . 1 341 54 54 PHE CB C 39.409 . 1 342 54 54 PHE N N 121.830 . 1 343 55 55 PRO HA H 4.910 . 1 344 55 55 PRO HB2 H 2.310 . 2 345 55 55 PRO HB3 H 2.010 . 2 346 55 55 PRO HG2 H 1.840 . 1 347 55 55 PRO HG3 H 1.840 . 1 348 55 55 PRO HD2 H 3.620 . 2 349 55 55 PRO HD3 H 3.840 . 2 350 55 55 PRO C C 174.820 . 1 351 55 55 PRO CA C 62.310 . 1 352 55 55 PRO CB C 36.270 . 1 353 55 55 PRO CG C 24.684 . 1 354 55 55 PRO CD C 51.730 . 1 355 56 56 ILE H H 8.972 . 1 356 56 56 ILE HA H 4.476 . 1 357 56 56 ILE HB H 1.040 . 1 358 56 56 ILE HG12 H 0.490 . 1 359 56 56 ILE HG13 H 0.910 . 1 360 56 56 ILE HG2 H 0.220 . 1 361 56 56 ILE HD1 H 0.510 . 1 362 56 56 ILE CA C 58.905 . 1 363 56 56 ILE CB C 41.243 . 1 364 56 56 ILE CG1 C 26.346 . 1 365 56 56 ILE CG2 C 17.560 . 1 366 56 56 ILE CD1 C 15.280 . 1 367 56 56 ILE N N 119.002 . 1 368 57 57 ASN H H 8.390 . 1 369 57 57 ASN HA H 4.660 . 1 370 57 57 ASN HB2 H 3.010 . 2 371 57 57 ASN HB3 H 2.720 . 2 372 57 57 ASN HD21 H 7.007 . 2 373 57 57 ASN HD22 H 7.710 . 2 374 57 57 ASN C C 175.602 . 1 375 57 57 ASN CA C 52.500 . 1 376 57 57 ASN CB C 38.030 . 1 377 57 57 ASN N N 122.152 . 1 378 57 57 ASN ND2 N 111.858 . 1 379 58 58 ILE H H 8.611 . 1 380 58 58 ILE HA H 4.360 . 1 381 58 58 ILE HB H 1.560 . 1 382 58 58 ILE HG2 H 0.860 . 1 383 58 58 ILE HD1 H 0.750 . 1 384 58 58 ILE CA C 64.572 . 1 385 58 58 ILE CB C 37.000 . 1 386 58 58 ILE CG1 C 28.920 . 1 387 58 58 ILE CG2 C 17.650 . 1 388 58 58 ILE CD1 C 12.800 . 1 389 58 58 ILE N N 128.642 . 1 390 59 59 ALA H H 8.080 . 1 391 59 59 ALA HA H 3.970 . 1 392 59 59 ALA HB H 1.450 . 1 393 59 59 ALA C C 180.605 . 1 394 59 59 ALA CA C 55.449 . 1 395 59 59 ALA CB C 17.417 . 1 396 59 59 ALA N N 122.287 . 1 397 60 60 ALA H H 7.422 . 1 398 60 60 ALA HA H 4.080 . 1 399 60 60 ALA HB H 1.450 . 1 400 60 60 ALA C C 179.611 . 1 401 60 60 ALA CA C 54.596 . 1 402 60 60 ALA CB C 18.200 . 1 403 60 60 ALA N N 119.996 . 1 404 61 61 VAL H H 7.380 . 1 405 61 61 VAL HA H 3.790 . 1 406 61 61 VAL HB H 2.147 . 1 407 61 61 VAL HG1 H 0.710 . 2 408 61 61 VAL HG2 H 0.870 . 2 409 61 61 VAL C C 178.719 . 1 410 61 61 VAL CA C 66.094 . 1 411 61 61 VAL CB C 31.329 . 1 412 61 61 VAL CG1 C 20.790 . 1 413 61 61 VAL CG2 C 21.750 . 1 414 61 61 VAL N N 119.124 . 1 415 62 62 LYS H H 8.236 . 1 416 62 62 LYS HA H 3.640 . 1 417 62 62 LYS HB2 H 1.790 . 2 418 62 62 LYS HB3 H 1.760 . 2 419 62 62 LYS HG2 H 1.630 . 1 420 62 62 LYS HG3 H 1.630 . 1 421 62 62 LYS HD2 H 1.150 . 2 422 62 62 LYS HD3 H 1.470 . 2 423 62 62 LYS HE2 H 2.860 . 1 424 62 62 LYS HE3 H 2.860 . 1 425 62 62 LYS C C 178.777 . 1 426 62 62 LYS CA C 60.440 . 1 427 62 62 LYS CB C 32.430 . 1 428 62 62 LYS CD C 26.170 . 1 429 62 62 LYS CE C 41.770 . 1 430 62 62 LYS N N 118.525 . 1 431 63 63 LYS H H 7.435 . 1 432 63 63 LYS HA H 4.130 . 1 433 63 63 LYS HB2 H 1.920 . 2 434 63 63 LYS HB3 H 1.870 . 2 435 63 63 LYS HG2 H 1.700 . 1 436 63 63 LYS HG3 H 1.700 . 1 437 63 63 LYS HD2 H 1.500 . 2 438 63 63 LYS HD3 H 1.420 . 2 439 63 63 LYS HE2 H 2.980 . 1 440 63 63 LYS HE3 H 2.980 . 1 441 63 63 LYS C C 178.220 . 1 442 63 63 LYS CA C 58.338 . 1 443 63 63 LYS CB C 32.080 . 1 444 63 63 LYS CG C 28.800 . 1 445 63 63 LYS CD C 24.650 . 1 446 63 63 LYS CE C 41.980 . 1 447 63 63 LYS N N 118.030 . 1 448 64 64 ASP H H 7.921 . 1 449 64 64 ASP HA H 4.520 . 1 450 64 64 ASP HB2 H 2.720 . 2 451 64 64 ASP HB3 H 2.480 . 2 452 64 64 ASP C C 176.829 . 1 453 64 64 ASP CA C 56.085 . 1 454 64 64 ASP CB C 40.600 . 1 455 64 64 ASP N N 119.109 . 1 456 65 65 HIS H H 7.564 . 1 457 65 65 HIS HA H 4.620 . 1 458 65 65 HIS HB2 H 3.240 . 2 459 65 65 HIS HB3 H 2.610 . 2 460 65 65 HIS HD2 H 6.993 . 1 461 65 65 HIS HE1 H 7.762 . 1 462 65 65 HIS C C 175.259 . 1 463 65 65 HIS CA C 56.060 . 1 464 65 65 HIS CB C 28.810 . 1 465 65 65 HIS CD2 C 117.172 . 1 466 65 65 HIS N N 117.388 . 1 467 66 66 ASP H H 7.723 . 1 468 66 66 ASP HA H 4.400 . 1 469 66 66 ASP HB2 H 2.680 . 2 470 66 66 ASP HB3 H 2.760 . 2 471 66 66 ASP C C 176.176 . 1 472 66 66 ASP CA C 56.330 . 1 473 66 66 ASP CB C 40.550 . 1 474 66 66 ASP N N 120.613 . 1 475 67 67 PHE H H 7.553 . 1 476 67 67 PHE HA H 4.660 . 1 477 67 67 PHE HB2 H 3.150 . 2 478 67 67 PHE HB3 H 3.260 . 2 479 67 67 PHE HD1 H 7.315 . 3 480 67 67 PHE HE1 H 7.503 . 3 481 67 67 PHE HZ H 7.420 . 1 482 67 67 PHE C C 175.968 . 1 483 67 67 PHE CA C 56.610 . 1 484 67 67 PHE CB C 38.680 . 1 485 67 67 PHE CZ C 132.150 . 1 486 67 67 PHE N N 115.112 . 1 487 68 68 LEU H H 7.545 . 1 488 68 68 LEU HA H 4.370 . 1 489 68 68 LEU HB2 H 1.740 . 2 490 68 68 LEU HB3 H 1.610 . 2 491 68 68 LEU HD1 H 1.057 . 2 492 68 68 LEU HD2 H 0.990 . 2 493 68 68 LEU C C 176.928 . 1 494 68 68 LEU CA C 54.740 . 1 495 68 68 LEU CB C 43.450 . 1 496 68 68 LEU CD1 C 25.430 . 1 497 68 68 LEU CD2 C 23.750 . 1 498 68 68 LEU N N 123.253 . 1 499 69 69 GLU H H 8.659 . 1 500 69 69 GLU HA H 4.330 . 1 501 69 69 GLU HB2 H 2.300 . 2 502 69 69 GLU HB3 H 2.130 . 2 503 69 69 GLU HG2 H 2.460 . 1 504 69 69 GLU HG3 H 2.460 . 1 505 69 69 GLU C C 178.014 . 1 506 69 69 GLU CA C 56.645 . 1 507 69 69 GLU CB C 29.845 . 1 508 69 69 GLU CG C 36.720 . 1 509 69 69 GLU N N 121.494 . 1 510 70 70 ARG H H 8.804 . 1 511 70 70 ARG HA H 4.040 . 1 512 70 70 ARG HB2 H 1.950 . 1 513 70 70 ARG HB3 H 1.950 . 1 514 70 70 ARG HG2 H 1.760 . 1 515 70 70 ARG HG3 H 1.760 . 1 516 70 70 ARG HD2 H 3.250 . 1 517 70 70 ARG HD3 H 3.250 . 1 518 70 70 ARG C C 177.774 . 1 519 70 70 ARG CA C 59.539 . 1 520 70 70 ARG CB C 30.190 . 1 521 70 70 ARG CG C 26.730 . 1 522 70 70 ARG CD C 43.450 . 1 523 70 70 ARG N N 123.728 . 1 524 71 71 ASP H H 8.691 . 1 525 71 71 ASP HA H 4.530 . 1 526 71 71 ASP HB2 H 2.720 . 1 527 71 71 ASP HB3 H 2.720 . 1 528 71 71 ASP C C 176.354 . 1 529 71 71 ASP CA C 56.041 . 1 530 71 71 ASP CB C 40.090 . 1 531 71 71 ASP N N 115.520 . 1 532 72 72 LEU H H 7.912 . 1 533 72 72 LEU HA H 4.770 . 1 534 72 72 LEU HB2 H 1.910 . 2 535 72 72 LEU HB3 H 1.940 . 2 536 72 72 LEU HD1 H 1.230 . 2 537 72 72 LEU HD2 H 0.990 . 2 538 72 72 LEU CA C 55.418 . 1 539 72 72 LEU CB C 43.630 . 1 540 72 72 LEU CD1 C 25.150 . 1 541 72 72 LEU CD2 C 24.030 . 1 542 72 72 LEU N N 118.675 . 1 543 73 73 VAL H H 7.761 . 1 544 73 73 VAL HA H 3.550 . 1 545 73 73 VAL HB H 2.040 . 1 546 73 73 VAL HG1 H 0.920 . 2 547 73 73 VAL HG2 H 0.990 . 2 548 73 73 VAL C C 176.976 . 1 549 73 73 VAL CA C 66.980 . 1 550 73 73 VAL CB C 32.020 . 1 551 73 73 VAL CG1 C 21.600 . 1 552 73 73 VAL CG2 C 23.660 . 1 553 73 73 VAL N N 119.359 . 1 554 74 74 GLU H H 8.615 . 1 555 74 74 GLU HA H 4.190 . 1 556 74 74 GLU HB2 H 2.079 . 1 557 74 74 GLU HB3 H 2.079 . 1 558 74 74 GLU CA C 61.633 . 1 559 74 74 GLU CB C 26.038 . 1 560 74 74 GLU N N 119.749 . 1 561 75 75 PRO HA H 4.280 . 1 562 75 75 PRO HB2 H 1.610 . 1 563 75 75 PRO HB3 H 1.610 . 1 564 75 75 PRO HD3 H 2.350 . 1 565 75 75 PRO C C 178.634 . 1 566 75 75 PRO CA C 66.150 . 1 567 75 75 PRO CB C 30.360 . 1 568 75 75 PRO CG C 27.970 . 1 569 75 75 PRO CD C 49.760 . 1 570 76 76 LEU H H 7.241 . 1 571 76 76 LEU HA H 4.050 . 1 572 76 76 LEU HB2 H 1.310 . 2 573 76 76 LEU HB3 H 2.060 . 2 574 76 76 LEU HD1 H 0.010 . 2 575 76 76 LEU HD2 H 0.210 . 2 576 76 76 LEU C C 178.120 . 1 577 76 76 LEU CA C 58.623 . 1 578 76 76 LEU CB C 41.900 . 1 579 76 76 LEU CD1 C 24.440 . 1 580 76 76 LEU CD2 C 22.540 . 1 581 76 76 LEU N N 119.170 . 1 582 77 77 CYS H H 8.273 . 1 583 77 77 CYS HA H 4.300 . 1 584 77 77 CYS HB3 H 1.640 . 2 585 77 77 CYS CA C 65.007 . 1 586 77 77 CYS CB C 26.122 . 1 587 77 77 CYS N N 116.751 . 1 588 78 78 ARG H H 8.060 . 1 589 78 78 ARG HA H 4.020 . 1 590 78 78 ARG HB2 H 1.450 . 1 591 78 78 ARG HB3 H 1.450 . 1 592 78 78 ARG HG2 H 1.690 . 1 593 78 78 ARG HG3 H 1.690 . 1 594 78 78 ARG HD2 H 3.040 . 1 595 78 78 ARG HD3 H 3.040 . 1 596 78 78 ARG C C 178.730 . 1 597 78 78 ARG CA C 59.839 . 1 598 78 78 ARG CB C 29.900 . 1 599 78 78 ARG CG C 27.200 . 1 600 78 78 ARG CD C 43.540 . 1 601 78 78 ARG N N 120.251 . 1 602 79 79 ARG H H 7.328 . 1 603 79 79 ARG HA H 4.300 . 1 604 79 79 ARG HB2 H 1.590 . 1 605 79 79 ARG HB3 H 1.590 . 1 606 79 79 ARG HD3 H 2.580 . 2 607 79 79 ARG CA C 60.025 . 1 608 79 79 ARG CB C 29.720 . 1 609 79 79 ARG CD C 42.710 . 1 610 79 79 ARG N N 120.135 . 1 611 80 80 LEU H H 8.160 . 1 612 80 80 LEU HA H 4.080 . 1 613 80 80 LEU HB2 H 1.810 . 2 614 80 80 LEU HB3 H 1.210 . 2 615 80 80 LEU HD1 H 0.430 . 2 616 80 80 LEU HD2 H 0.740 . 2 617 80 80 LEU C C 178.465 . 1 618 80 80 LEU CA C 58.042 . 1 619 80 80 LEU CB C 40.900 . 1 620 80 80 LEU CD1 C 26.210 . 1 621 80 80 LEU CD2 C 22.470 . 1 622 80 80 LEU N N 117.390 . 1 623 81 81 ASN H H 8.517 . 1 624 81 81 ASN HA H 4.440 . 1 625 81 81 ASN HB2 H 2.870 . 2 626 81 81 ASN HB3 H 2.820 . 2 627 81 81 ASN HD21 H 7.566 . 2 628 81 81 ASN HD22 H 6.954 . 2 629 81 81 ASN C C 178.232 . 1 630 81 81 ASN CA C 57.031 . 1 631 81 81 ASN CB C 38.549 . 1 632 81 81 ASN N N 118.647 . 1 633 81 81 ASN ND2 N 114.200 . 1 634 82 82 THR H H 8.036 . 1 635 82 82 THR HA H 3.870 . 1 636 82 82 THR HB H 4.310 . 1 637 82 82 THR HG2 H 1.080 . 1 638 82 82 THR CA C 67.400 . 1 639 82 82 THR CB C 68.681 . 1 640 82 82 THR CG2 C 22.060 . 1 641 82 82 THR N N 119.380 . 1 642 83 83 LEU H H 7.897 . 1 643 83 83 LEU HA H 3.670 . 1 644 83 83 LEU HB2 H 1.780 . 2 645 83 83 LEU HB3 H 0.710 . 2 646 83 83 LEU HG H 1.500 . 1 647 83 83 LEU HD1 H -0.180 . 2 648 83 83 LEU HD2 H 0.300 . 2 649 83 83 LEU C C 178.898 . 1 650 83 83 LEU CA C 57.760 . 1 651 83 83 LEU CB C 41.090 . 1 652 83 83 LEU CG C 25.430 . 1 653 83 83 LEU CD1 C 20.740 . 1 654 83 83 LEU CD2 C 26.075 . 1 655 83 83 LEU N N 121.629 . 1 656 84 84 ASN H H 8.967 . 1 657 84 84 ASN HA H 4.740 . 1 658 84 84 ASN HB2 H 3.330 . 2 659 84 84 ASN HB3 H 3.020 . 2 660 84 84 ASN HD21 H 7.232 . 2 661 84 84 ASN HD22 H 7.739 . 2 662 84 84 ASN C C 178.751 . 1 663 84 84 ASN CA C 56.505 . 1 664 84 84 ASN CB C 36.883 . 1 665 84 84 ASN N N 121.031 . 1 666 84 84 ASN ND2 N 105.352 . 1 667 85 85 LYS H H 8.096 . 1 668 85 85 LYS HA H 4.120 . 1 669 85 85 LYS HB2 H 2.030 . 2 670 85 85 LYS HB3 H 2.110 . 2 671 85 85 LYS HG2 H 1.700 . 1 672 85 85 LYS HG3 H 1.700 . 1 673 85 85 LYS HD2 H 1.410 . 1 674 85 85 LYS HD3 H 1.410 . 1 675 85 85 LYS HE2 H 2.970 . 1 676 85 85 LYS HE3 H 2.970 . 1 677 85 85 LYS C C 179.722 . 1 678 85 85 LYS CA C 59.816 . 1 679 85 85 LYS CB C 31.500 . 1 680 85 85 LYS CG C 29.160 . 1 681 85 85 LYS CD C 24.960 . 1 682 85 85 LYS CE C 41.770 . 1 683 85 85 LYS N N 122.287 . 1 684 86 86 CYS H H 8.435 . 1 685 86 86 CYS HA H 4.130 . 1 686 86 86 CYS HB2 H 3.110 . 1 687 86 86 CYS HB3 H 3.110 . 1 688 86 86 CYS C C 177.189 . 1 689 86 86 CYS CA C 63.919 . 1 690 86 86 CYS CB C 26.830 . 1 691 86 86 CYS N N 118.712 . 1 692 87 87 ALA H H 8.744 . 1 693 87 87 ALA HA H 4.310 . 1 694 87 87 ALA HB H 1.550 . 1 695 87 87 ALA C C 179.569 . 1 696 87 87 ALA CA C 54.539 . 1 697 87 87 ALA CB C 19.350 . 1 698 87 87 ALA N N 121.138 . 1 699 88 88 SER H H 8.087 . 1 700 88 88 SER HA H 4.330 . 1 701 88 88 SER HB2 H 4.010 . 1 702 88 88 SER HB3 H 4.010 . 1 703 88 88 SER C C 175.354 . 1 704 88 88 SER CA C 60.860 . 1 705 88 88 SER CB C 63.560 . 1 706 88 88 SER N N 113.499 . 1 707 89 89 MET H H 7.782 . 1 708 89 89 MET HA H 4.310 . 1 709 89 89 MET HB2 H 2.570 . 2 710 89 89 MET HB3 H 2.730 . 2 711 89 89 MET HG2 H 1.640 . 2 712 89 89 MET HG3 H 1.560 . 2 713 89 89 MET HE H 2.070 . 1 714 89 89 MET CA C 56.942 . 1 715 89 89 MET CB C 32.020 . 1 716 89 89 MET CE C 17.020 . 1 717 89 89 MET N N 120.541 . 1 718 90 90 ARG H H 7.793 . 1 719 90 90 ARG HA H 4.250 . 1 720 90 90 ARG HB2 H 1.880 . 1 721 90 90 ARG HB3 H 1.880 . 1 722 90 90 ARG HG2 H 1.670 . 1 723 90 90 ARG HG3 H 1.670 . 1 724 90 90 ARG HD2 H 3.180 . 1 725 90 90 ARG HD3 H 3.180 . 1 726 90 90 ARG C C 176.503 . 1 727 90 90 ARG CA C 56.710 . 1 728 90 90 ARG CB C 30.250 . 1 729 90 90 ARG CG C 27.030 . 1 730 90 90 ARG CD C 43.540 . 1 731 90 90 ARG N N 118.950 . 1 732 91 91 LEU H H 7.936 . 1 733 91 91 LEU HA H 4.350 . 1 734 91 91 LEU HB2 H 1.700 . 2 735 91 91 LEU HB3 H 1.600 . 2 736 91 91 LEU HG H 1.340 . 1 737 91 91 LEU HD1 H 0.890 . 2 738 91 91 LEU HD2 H 0.960 . 2 739 91 91 LEU CA C 55.314 . 1 740 91 91 LEU CB C 42.427 . 1 741 91 91 LEU CG C 26.930 . 1 742 91 91 LEU CD1 C 23.320 . 1 743 91 91 LEU CD2 C 25.531 . 1 744 91 91 LEU N N 121.017 . 1 745 92 92 ASP H H 8.269 . 1 746 92 92 ASP HA H 4.620 . 1 747 92 92 ASP HB3 H 2.730 . 2 748 92 92 ASP C C 176.812 . 1 749 92 92 ASP CA C 54.606 . 1 750 92 92 ASP CB C 41.257 . 1 751 92 92 ASP N N 120.647 . 1 752 93 93 VAL H H 8.033 . 1 753 93 93 VAL HA H 4.050 . 1 754 93 93 VAL HB H 2.130 . 1 755 93 93 VAL HG1 H 0.910 . 2 756 93 93 VAL HG2 H 0.970 . 2 757 93 93 VAL C C 176.146 . 1 758 93 93 VAL CA C 63.140 . 1 759 93 93 VAL CB C 32.010 . 1 760 93 93 VAL CG1 C 20.700 . 1 761 93 93 VAL CG2 C 21.180 . 1 762 93 93 VAL N N 119.731 . 1 763 94 94 ASN H H 8.376 . 1 764 94 94 ASN HA H 4.690 . 1 765 94 94 ASN HB2 H 2.740 . 1 766 94 94 ASN HB3 H 2.740 . 1 767 94 94 ASN HD21 H 7.684 . 2 768 94 94 ASN HD22 H 6.944 . 2 769 94 94 ASN C C 175.222 . 1 770 94 94 ASN CA C 53.605 . 1 771 94 94 ASN CB C 38.720 . 1 772 94 94 ASN N N 120.080 . 1 773 94 94 ASN ND2 N 113.553 . 1 774 95 95 PHE H H 8.048 . 1 775 95 95 PHE HA H 4.502 . 1 776 95 95 PHE HB2 H 3.130 . 1 777 95 95 PHE HB3 H 3.130 . 1 778 95 95 PHE HD1 H 7.261 . 3 779 95 95 PHE HE1 H 7.359 . 3 780 95 95 PHE HZ H 7.309 . 1 781 95 95 PHE C C 175.568 . 1 782 95 95 PHE CA C 58.377 . 1 783 95 95 PHE CB C 39.288 . 1 784 95 95 PHE N N 120.616 . 1 785 96 96 GLN H H 8.160 . 1 786 96 96 GLN HA H 4.240 . 1 787 96 96 GLN HB2 H 2.018 . 2 788 96 96 GLN HB3 H 1.912 . 2 789 96 96 GLN HG2 H 2.280 . 1 790 96 96 GLN HG3 H 2.280 . 1 791 96 96 GLN HE21 H 7.519 . 2 792 96 96 GLN HE22 H 6.884 . 2 793 96 96 GLN C C 175.470 . 1 794 96 96 GLN CA C 55.770 . 1 795 96 96 GLN CB C 29.291 . 1 796 96 96 GLN CG C 35.570 . 1 797 96 96 GLN N N 121.289 . 1 798 96 96 GLN NE2 N 112.512 . 1 799 97 97 ARG H H 8.204 . 1 800 97 97 ARG HA H 4.260 . 1 801 97 97 ARG HB2 H 1.670 . 2 802 97 97 ARG HB3 H 1.810 . 2 803 97 97 ARG HG2 H 1.650 . 1 804 97 97 ARG HG3 H 1.650 . 1 805 97 97 ARG HD2 H 3.200 . 1 806 97 97 ARG HD3 H 3.200 . 1 807 97 97 ARG C C 176.202 . 1 808 97 97 ARG CA C 56.090 . 1 809 97 97 ARG CB C 30.770 . 1 810 97 97 ARG CD C 43.220 . 1 811 97 97 ARG N N 122.338 . 1 812 98 98 LYS H H 8.441 . 1 813 98 98 LYS HA H 4.300 . 1 814 98 98 LYS HB2 H 1.750 . 2 815 98 98 LYS HB3 H 1.810 . 2 816 98 98 LYS HG2 H 1.680 . 1 817 98 98 LYS HG3 H 1.680 . 1 818 98 98 LYS HD2 H 1.420 . 1 819 98 98 LYS HD3 H 1.420 . 1 820 98 98 LYS HE2 H 2.980 . 1 821 98 98 LYS HE3 H 2.980 . 1 822 98 98 LYS C C 176.486 . 1 823 98 98 LYS CA C 55.980 . 1 824 98 98 LYS CB C 33.050 . 1 825 98 98 LYS CG C 29.000 . 1 826 98 98 LYS CD C 24.760 . 1 827 98 98 LYS CE C 42.080 . 1 828 98 98 LYS N N 123.396 . 1 829 99 99 LYS H H 8.522 . 1 830 99 99 LYS CA C 56.547 . 1 831 99 99 LYS CB C 33.003 . 1 832 99 99 LYS N N 123.539 . 1 833 100 100 GLY HA2 H 3.960 . 2 834 100 100 GLY HA3 H 4.000 . 2 835 100 100 GLY C C 173.922 . 1 836 100 100 GLY CA C 45.190 . 1 837 101 101 ASP H H 8.269 . 1 838 101 101 ASP HA H 4.630 . 1 839 101 101 ASP HB2 H 2.660 . 2 840 101 101 ASP HB3 H 2.740 . 2 841 101 101 ASP CA C 54.487 . 1 842 101 101 ASP CB C 41.259 . 1 843 101 101 ASP N N 120.647 . 1 844 102 102 ASP H H 8.376 . 1 845 102 102 ASP HA H 4.609 . 1 846 102 102 ASP HB2 H 2.666 . 2 847 102 102 ASP HB3 H 2.670 . 2 848 102 102 ASP C C 176.282 . 1 849 102 102 ASP CA C 54.572 . 1 850 102 102 ASP CB C 41.040 . 1 851 102 102 ASP N N 120.080 . 1 852 103 103 SER H H 8.239 . 1 853 103 103 SER HA H 4.420 . 1 854 103 103 SER HB2 H 3.870 . 1 855 103 103 SER HB3 H 3.870 . 1 856 103 103 SER C C 174.385 . 1 857 103 103 SER CA C 58.470 . 1 858 103 103 SER CB C 64.280 . 1 859 103 103 SER N N 115.602 . 1 860 104 104 ASP H H 8.409 . 1 861 104 104 ASP HA H 4.640 . 1 862 104 104 ASP HB2 H 2.664 . 2 863 104 104 ASP HB3 H 2.740 . 2 864 104 104 ASP C C 176.192 . 1 865 104 104 ASP CA C 54.567 . 1 866 104 104 ASP CB C 41.250 . 1 867 104 104 ASP N N 122.658 . 1 868 105 105 GLU H H 8.269 . 1 869 105 105 GLU HA H 4.271 . 1 870 105 105 GLU HB2 H 2.080 . 2 871 105 105 GLU HB3 H 1.900 . 2 872 105 105 GLU HG2 H 2.260 . 1 873 105 105 GLU HG3 H 2.260 . 1 874 105 105 GLU C C 176.313 . 1 875 105 105 GLU CA C 56.521 . 1 876 105 105 GLU CB C 30.363 . 1 877 105 105 GLU N N 120.647 . 1 878 106 106 GLU H H 8.391 . 1 879 106 106 GLU HA H 4.300 . 1 880 106 106 GLU HB2 H 2.070 . 2 881 106 106 GLU HB3 H 1.910 . 2 882 106 106 GLU HG2 H 2.260 . 1 883 106 106 GLU HG3 H 2.260 . 1 884 106 106 GLU C C 175.388 . 1 885 106 106 GLU CA C 56.400 . 1 886 106 106 GLU CB C 30.640 . 1 887 106 106 GLU CG C 36.160 . 1 888 106 106 GLU N N 122.119 . 1 889 107 107 ASP H H 8.048 . 1 890 107 107 ASP CA C 56.208 . 1 891 107 107 ASP CB C 42.204 . 1 892 107 107 ASP N N 127.146 . 1 stop_ save_