data_25797 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The structural and functional effects of the Familial Hypertrophic Cardiomyopathy-linked cardiac troponin C mutation, L29Q ; _BMRB_accession_number 25797 _BMRB_flat_file_name bmr25797.str _Entry_type original _Submission_date 2015-09-06 _Accession_date 2015-09-14 _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 Robertson Ian M . 2 Sevrieva Ivanka . . 3 Li Monica X . 4 Irving Malcolm . . 5 Sun Yin-Biao . . 6 Sykes Brian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 460 "13C chemical shifts" 281 "15N chemical shifts" 91 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-07-22 update BMRB 'update entry citation' 2015-11-17 original author 'original release' stop_ _Original_release_date 2015-11-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The structural and functional effects of the Familial Hypertrophic Cardiomyopathy-linked cardiac troponin C mutation, L29 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26341255 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Robertson Ian . . 2 Sevrieva Ivanka . . 3 Li Monica . . 4 Irving Malcolm . . 5 Sun Yin-Biao . . 6 Sykes Brian . . stop_ _Journal_abbreviation 'J. Mol. Cell. Cardiol.' _Journal_volume 87 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 257 _Page_last 269 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'cardiac troponin C' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_CA $entity_CA 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 10053.211 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 89 _Mol_residue_sequence ; MDDIYKAAVEQLTEEQKNEF KAAFDIFVQGAEDGSISTKE LGKVMRMLGQNPTPEELQEM IDEVDEDGSGTVDFDEFLVM MVRSMKDDS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 MET 2 2 ASP 3 3 ASP 4 4 ILE 5 5 TYR 6 6 LYS 7 7 ALA 8 8 ALA 9 9 VAL 10 10 GLU 11 11 GLN 12 12 LEU 13 13 THR 14 14 GLU 15 15 GLU 16 16 GLN 17 17 LYS 18 18 ASN 19 19 GLU 20 20 PHE 21 21 LYS 22 22 ALA 23 23 ALA 24 24 PHE 25 25 ASP 26 26 ILE 27 27 PHE 28 28 VAL 29 29 GLN 30 30 GLY 31 31 ALA 32 32 GLU 33 33 ASP 34 34 GLY 35 35 SER 36 36 ILE 37 37 SER 38 38 THR 39 39 LYS 40 40 GLU 41 41 LEU 42 42 GLY 43 43 LYS 44 44 VAL 45 45 MET 46 46 ARG 47 47 MET 48 48 LEU 49 49 GLY 50 50 GLN 51 51 ASN 52 52 PRO 53 53 THR 54 54 PRO 55 55 GLU 56 56 GLU 57 57 LEU 58 58 GLN 59 59 GLU 60 60 MET 61 61 ILE 62 62 ASP 63 63 GLU 64 64 VAL 65 65 ASP 66 66 GLU 67 67 ASP 68 68 GLY 69 69 SER 70 70 GLY 71 71 THR 72 72 VAL 73 73 ASP 74 74 PHE 75 75 ASP 76 76 GLU 77 77 PHE 78 78 LEU 79 79 VAL 80 80 MET 81 81 MET 82 82 VAL 83 83 ARG 84 84 SER 85 85 MET 86 86 LYS 87 87 ASP 88 88 ASP 89 89 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common 'CALCIUM ION' _BMRB_code CA _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 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 $entity_1 'recombinant technology' . Escherichia coli . pET-3a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity_1 . mM 0.3 0.4 '[U-95% 13C; U-95% 15N]' H2O 95 % . . 'natural abundance' D2O 5 % . . [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HNHB_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_1 save_ save_HN(CO)HB_12 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)HB _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' 0.126 . M pH 6.7 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCACB' '3D H(CCO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 MET HE H 2.0740 . 1 2 1 1 MET CE C 16.8360 . 1 3 2 2 ASP HA H 4.6480 . 1 4 2 2 ASP HB3 H 2.6840 . 1 5 2 2 ASP CA C 54.8070 . 1 6 2 2 ASP CB C 41.8040 . 1 7 3 3 ASP H H 8.5460 . 1 8 3 3 ASP HA H 4.4620 . 1 9 3 3 ASP HB2 H 2.6480 . 2 10 3 3 ASP HB3 H 2.6960 . 2 11 3 3 ASP CA C 56.1270 . 1 12 3 3 ASP CB C 41.1490 . 1 13 3 3 ASP N N 122.8120 . 1 14 4 4 ILE H H 8.2450 . 1 15 4 4 ILE HA H 3.9190 . 1 16 4 4 ILE HB H 1.6640 . 1 17 4 4 ILE HG13 H 0.9560 . 2 18 4 4 ILE HG2 H 0.5870 . 1 19 4 4 ILE HD1 H 0.6930 . 1 20 4 4 ILE CA C 63.6900 . 1 21 4 4 ILE CB C 37.7220 . 1 22 4 4 ILE CG1 C 27.1470 . 1 23 4 4 ILE CG2 C 17.1390 . 1 24 4 4 ILE CD1 C 13.2990 . 1 25 4 4 ILE N N 119.4210 . 1 26 5 5 TYR H H 7.6310 . 1 27 5 5 TYR HA H 4.4680 . 1 28 5 5 TYR HB2 H 3.1070 . 2 29 5 5 TYR HB3 H 2.9050 . 2 30 5 5 TYR HD1 H 7.0660 . 3 31 5 5 TYR HE1 H 6.8070 . 3 32 5 5 TYR CA C 59.6890 . 1 33 5 5 TYR CB C 37.9090 . 1 34 5 5 TYR CD1 C 132.5810 . 3 35 5 5 TYR CE1 C 118.5690 . 3 36 5 5 TYR N N 120.8920 . 1 37 6 6 LYS H H 7.9020 . 1 38 6 6 LYS HA H 3.9870 . 1 39 6 6 LYS HB3 H 1.8500 . 2 40 6 6 LYS HG2 H 1.4910 . 2 41 6 6 LYS HG3 H 1.4080 . 2 42 6 6 LYS HD3 H 1.7030 . 2 43 6 6 LYS HE3 H 3.0030 . 2 44 6 6 LYS CA C 59.5860 . 1 45 6 6 LYS CB C 32.5290 . 1 46 6 6 LYS CG C 25.2270 . 1 47 6 6 LYS CD C 29.4570 . 1 48 6 6 LYS N N 120.7090 . 1 49 7 7 ALA H H 7.9280 . 1 50 7 7 ALA HA H 4.1570 . 1 51 7 7 ALA HB H 1.4080 . 1 52 7 7 ALA CA C 54.5430 . 1 53 7 7 ALA CB C 18.0130 . 1 54 7 7 ALA N N 120.4070 . 1 55 8 8 ALA H H 7.5380 . 1 56 8 8 ALA HA H 4.1750 . 1 57 8 8 ALA HB H 1.5470 . 1 58 8 8 ALA CA C 54.5670 . 1 59 8 8 ALA CB C 18.4660 . 1 60 8 8 ALA N N 120.0040 . 1 61 9 9 VAL H H 8.0970 . 1 62 9 9 VAL HA H 3.5820 . 1 63 9 9 VAL HB H 2.2080 . 1 64 9 9 VAL HG1 H 0.9460 . 2 65 9 9 VAL HG2 H 0.9890 . 2 66 9 9 VAL CA C 66.1630 . 1 67 9 9 VAL CB C 31.8730 . 1 68 9 9 VAL CG1 C 21.9610 . 2 69 9 9 VAL CG2 C 23.3670 . 2 70 9 9 VAL N N 119.1080 . 1 71 10 10 GLU H H 7.8210 . 1 72 10 10 GLU HA H 4.1120 . 1 73 10 10 GLU HB3 H 2.1370 . 2 74 10 10 GLU HG2 H 2.4710 . 2 75 10 10 GLU HG3 H 2.3390 . 2 76 10 10 GLU CA C 58.3120 . 1 77 10 10 GLU CB C 29.4820 . 1 78 10 10 GLU CG C 36.6070 . 1 79 10 10 GLU N N 118.6990 . 1 80 11 11 GLN H H 7.3850 . 1 81 11 11 GLN HA H 4.2860 . 1 82 11 11 GLN HB2 H 2.3210 . 2 83 11 11 GLN HB3 H 2.0600 . 2 84 11 11 GLN HG3 H 2.4940 . 2 85 11 11 GLN HE21 H 6.8020 . 2 86 11 11 GLN HE22 H 7.4700 . 2 87 11 11 GLN CA C 55.6430 . 1 88 11 11 GLN CB C 29.4350 . 1 89 11 11 GLN CG C 34.1830 . 1 90 11 11 GLN N N 114.9210 . 1 91 11 11 GLN NE2 N 111.7730 . 1 92 12 12 LEU H H 7.3590 . 1 93 12 12 LEU HA H 4.4890 . 1 94 12 12 LEU HB2 H 1.9080 . 2 95 12 12 LEU HB3 H 1.3700 . 2 96 12 12 LEU HG H 2.1190 . 1 97 12 12 LEU HD1 H 0.9020 . 2 98 12 12 LEU HD2 H 0.9680 . 2 99 12 12 LEU CA C 55.0740 . 1 100 12 12 LEU CB C 43.1960 . 1 101 12 12 LEU CG C 26.4180 . 1 102 12 12 LEU CD1 C 23.1810 . 2 103 12 12 LEU CD2 C 27.3030 . 2 104 12 12 LEU N N 120.7090 . 1 105 13 13 THR H H 8.9030 . 1 106 13 13 THR HA H 4.4130 . 1 107 13 13 THR HB H 4.7950 . 1 108 13 13 THR HG2 H 1.3890 . 1 109 13 13 THR CA C 60.7410 . 1 110 13 13 THR CB C 71.0580 . 1 111 13 13 THR CG2 C 22.0000 . 1 112 13 13 THR N N 113.8200 . 1 113 14 14 GLU H H 8.9760 . 1 114 14 14 GLU HA H 3.9400 . 1 115 14 14 GLU HB3 H 2.0370 . 2 116 14 14 GLU HG3 H 2.3510 . 2 117 14 14 GLU CA C 59.7450 . 1 118 14 14 GLU CB C 29.2870 . 1 119 14 14 GLU CG C 36.1780 . 1 120 14 14 GLU N N 121.6440 . 1 121 15 15 GLU H H 8.5600 . 1 122 15 15 GLU HA H 4.0210 . 1 123 15 15 GLU HB2 H 1.9260 . 2 124 15 15 GLU HB3 H 2.0090 . 2 125 15 15 GLU HG2 H 2.3000 . 2 126 15 15 GLU HG3 H 2.3570 . 2 127 15 15 GLU CA C 60.3960 . 1 128 15 15 GLU CB C 28.9810 . 1 129 15 15 GLU CG C 37.0220 . 1 130 15 15 GLU N N 117.5920 . 1 131 16 16 GLN H H 7.7940 . 1 132 16 16 GLN HA H 3.7820 . 1 133 16 16 GLN HB3 H 1.4770 . 2 134 16 16 GLN HG2 H 2.2040 . 2 135 16 16 GLN HG3 H 2.2970 . 2 136 16 16 GLN HE21 H 6.8100 . 2 137 16 16 GLN HE22 H 7.5270 . 2 138 16 16 GLN CA C 58.7420 . 1 139 16 16 GLN CB C 29.6950 . 1 140 16 16 GLN CG C 35.0260 . 1 141 16 16 GLN N N 119.7380 . 1 142 16 16 GLN NE2 N 111.7340 . 1 143 17 17 LYS H H 8.3770 . 1 144 17 17 LYS HA H 3.8450 . 1 145 17 17 LYS HB3 H 1.9750 . 2 146 17 17 LYS HG2 H 1.6820 . 2 147 17 17 LYS HG3 H 1.4250 . 2 148 17 17 LYS HD3 H 1.7520 . 2 149 17 17 LYS HE2 H 2.9700 . 2 150 17 17 LYS HE3 H 2.8330 . 2 151 17 17 LYS CA C 61.6620 . 1 152 17 17 LYS CB C 32.0550 . 1 153 17 17 LYS CG C 27.2720 . 1 154 17 17 LYS CD C 29.5530 . 1 155 17 17 LYS CE C 42.0680 . 1 156 17 17 LYS N N 117.9980 . 1 157 18 18 ASN H H 8.4870 . 1 158 18 18 ASN HA H 4.5300 . 1 159 18 18 ASN HB2 H 2.9520 . 2 160 18 18 ASN HB3 H 2.8040 . 2 161 18 18 ASN HD21 H 7.6060 . 2 162 18 18 ASN HD22 H 6.9870 . 2 163 18 18 ASN CA C 55.9760 . 1 164 18 18 ASN CB C 37.8320 . 1 165 18 18 ASN N N 117.4230 . 1 166 18 18 ASN ND2 N 111.7800 . 1 167 19 19 GLU H H 8.0050 . 1 168 19 19 GLU HA H 4.1570 . 1 169 19 19 GLU HB2 H 2.0130 . 2 170 19 19 GLU HB3 H 2.0720 . 2 171 19 19 GLU HG2 H 2.4120 . 2 172 19 19 GLU HG3 H 2.2190 . 2 173 19 19 GLU CA C 59.5240 . 1 174 19 19 GLU CB C 29.2250 . 1 175 19 19 GLU CG C 36.2460 . 1 176 19 19 GLU N N 123.3610 . 1 177 20 20 PHE H H 8.4810 . 1 178 20 20 PHE HA H 5.0240 . 1 179 20 20 PHE HB2 H 3.5000 . 2 180 20 20 PHE HB3 H 3.5320 . 2 181 20 20 PHE HD1 H 7.1640 . 3 182 20 20 PHE HE1 H 7.2170 . 3 183 20 20 PHE HZ H 7.3080 . 1 184 20 20 PHE CA C 58.3730 . 1 185 20 20 PHE CB C 37.3580 . 1 186 20 20 PHE CD1 C 130.2300 . 3 187 20 20 PHE N N 119.3430 . 1 188 21 21 LYS H H 8.9240 . 1 189 21 21 LYS HA H 3.9490 . 1 190 21 21 LYS HB2 H 1.9900 . 2 191 21 21 LYS HB3 H 1.7800 . 2 192 21 21 LYS HG2 H 1.2430 . 2 193 21 21 LYS HG3 H 1.0300 . 2 194 21 21 LYS HD2 H 1.3790 . 2 195 21 21 LYS HD3 H 0.7070 . 2 196 21 21 LYS HE3 H 2.7020 . 2 197 21 21 LYS CA C 59.0520 . 1 198 21 21 LYS CB C 32.1920 . 1 199 21 21 LYS CG C 24.5560 . 1 200 21 21 LYS CD C 27.7370 . 1 201 21 21 LYS CE C 42.2310 . 1 202 21 21 LYS N N 121.7640 . 1 203 22 22 ALA H H 7.9040 . 1 204 22 22 ALA HA H 4.1780 . 1 205 22 22 ALA HB H 1.5340 . 1 206 22 22 ALA CA C 54.8680 . 1 207 22 22 ALA CB C 17.7980 . 1 208 22 22 ALA N N 120.1060 . 1 209 23 23 ALA H H 7.4780 . 1 210 23 23 ALA HA H 4.2520 . 1 211 23 23 ALA HB H 1.7820 . 1 212 23 23 ALA CA C 54.7090 . 1 213 23 23 ALA CB C 18.6920 . 1 214 23 23 ALA N N 119.0010 . 1 215 24 24 PHE H H 8.3850 . 1 216 24 24 PHE HA H 3.6050 . 1 217 24 24 PHE HB2 H 3.1790 . 2 218 24 24 PHE HB3 H 2.7940 . 2 219 24 24 PHE HD2 H 6.5780 . 3 220 24 24 PHE HE2 H 7.1650 . 3 221 24 24 PHE HZ H 7.5310 . 1 222 24 24 PHE CA C 62.2460 . 1 223 24 24 PHE CB C 40.4140 . 1 224 24 24 PHE CD2 C 131.8520 . 3 225 24 24 PHE CE2 C 131.6300 . 3 226 24 24 PHE N N 119.2270 . 1 227 25 25 ASP H H 8.7450 . 1 228 25 25 ASP HA H 4.3530 . 1 229 25 25 ASP HB2 H 2.7260 . 2 230 25 25 ASP HB3 H 2.5070 . 2 231 25 25 ASP CA C 56.8040 . 1 232 25 25 ASP CB C 40.2930 . 1 233 25 25 ASP N N 116.0040 . 1 234 26 26 ILE H H 7.2840 . 1 235 26 26 ILE HA H 3.6390 . 1 236 26 26 ILE HB H 1.7980 . 1 237 26 26 ILE HG12 H 1.6240 . 2 238 26 26 ILE HG13 H 1.1460 . 2 239 26 26 ILE HG2 H 0.4010 . 1 240 26 26 ILE HD1 H 0.8160 . 1 241 26 26 ILE CA C 64.1210 . 1 242 26 26 ILE CB C 37.5090 . 1 243 26 26 ILE CG1 C 28.6070 . 1 244 26 26 ILE CG2 C 16.7700 . 1 245 26 26 ILE CD1 C 12.9210 . 1 246 26 26 ILE N N 119.3240 . 1 247 27 27 PHE H H 7.5160 . 1 248 27 27 PHE HA H 4.3470 . 1 249 27 27 PHE HB2 H 3.0730 . 2 250 27 27 PHE HB3 H 2.6180 . 2 251 27 27 PHE HD1 H 7.2570 . 3 252 27 27 PHE HE1 H 7.3130 . 3 253 27 27 PHE HZ H 7.2270 . 1 254 27 27 PHE CA C 59.7350 . 1 255 27 27 PHE CB C 39.5630 . 1 256 27 27 PHE CD1 C 132.0350 . 3 257 27 27 PHE CE1 C 131.5690 . 3 258 27 27 PHE CZ C 131.9200 . 1 259 27 27 PHE N N 117.9670 . 1 260 28 28 VAL H H 7.5990 . 1 261 28 28 VAL HA H 3.9070 . 1 262 28 28 VAL HB H 1.9230 . 1 263 28 28 VAL HG1 H 0.5610 . 2 264 28 28 VAL HG2 H 0.6560 . 2 265 28 28 VAL CA C 62.8870 . 1 266 28 28 VAL CB C 31.9320 . 1 267 28 28 VAL CG1 C 21.5270 . 2 268 28 28 VAL CG2 C 21.4350 . 2 269 28 28 VAL N N 116.2160 . 1 270 29 29 GLN H H 7.7720 . 1 271 29 29 GLN HA H 4.0370 . 1 272 29 29 GLN HB2 H 2.0520 . 2 273 29 29 GLN HB3 H 2.1340 . 2 274 29 29 GLN HG2 H 2.3370 . 2 275 29 29 GLN HG3 H 2.3720 . 2 276 29 29 GLN CA C 57.0260 . 1 277 29 29 GLN CB C 27.9860 . 1 278 29 29 GLN CG C 34.0570 . 1 279 29 29 GLN N N 120.5530 . 1 280 30 30 GLY H H 8.4350 . 1 281 30 30 GLY HA2 H 3.9680 . 2 282 30 30 GLY HA3 H 3.8080 . 2 283 30 30 GLY CA C 45.4880 . 1 284 30 30 GLY N N 108.1120 . 1 285 31 31 ALA H H 7.6990 . 1 286 31 31 ALA HA H 4.3520 . 1 287 31 31 ALA HB H 1.4880 . 1 288 31 31 ALA CA C 52.4970 . 1 289 31 31 ALA CB C 19.4600 . 1 290 31 31 ALA N N 123.7900 . 1 291 32 32 GLU H H 8.7960 . 1 292 32 32 GLU HA H 4.1220 . 1 293 32 32 GLU HB3 H 2.0670 . 2 294 32 32 GLU HG3 H 2.3110 . 2 295 32 32 GLU CA C 58.4340 . 1 296 32 32 GLU CB C 29.7720 . 1 297 32 32 GLU CG C 36.2690 . 1 298 32 32 GLU N N 123.4850 . 1 299 33 33 ASP H H 8.2600 . 1 300 33 33 ASP HA H 4.6620 . 1 301 33 33 ASP HB2 H 2.8710 . 2 302 33 33 ASP HB3 H 2.6880 . 2 303 33 33 ASP CA C 53.5240 . 1 304 33 33 ASP CB C 40.7110 . 1 305 33 33 ASP N N 117.3920 . 1 306 34 34 GLY H H 7.9620 . 1 307 34 34 GLY HA3 H 3.9480 . 2 308 34 34 GLY CA C 46.3810 . 1 309 34 34 GLY N N 106.7380 . 1 310 35 35 SER H H 7.7720 . 1 311 35 35 SER HA H 5.0440 . 1 312 35 35 SER HB2 H 3.7120 . 2 313 35 35 SER HB3 H 3.5380 . 2 314 35 35 SER CA C 57.4170 . 1 315 35 35 SER CB C 65.9360 . 1 316 35 35 SER N N 113.0960 . 1 317 36 36 ILE H H 8.5150 . 1 318 36 36 ILE HA H 4.3930 . 1 319 36 36 ILE HB H 1.6640 . 1 320 36 36 ILE HG12 H 1.2840 . 2 321 36 36 ILE HG13 H 0.7620 . 2 322 36 36 ILE HG2 H 0.5530 . 1 323 36 36 ILE HD1 H 0.4680 . 1 324 36 36 ILE CA C 59.9460 . 1 325 36 36 ILE CB C 40.8130 . 1 326 36 36 ILE CG1 C 26.5690 . 1 327 36 36 ILE CG2 C 17.1880 . 1 328 36 36 ILE CD1 C 14.5800 . 1 329 36 36 ILE N N 117.3220 . 1 330 37 37 SER H H 8.8900 . 1 331 37 37 SER HA H 4.7080 . 1 332 37 37 SER HB2 H 4.2370 . 2 333 37 37 SER HB3 H 3.8650 . 2 334 37 37 SER CA C 57.7430 . 1 335 37 37 SER CB C 64.4350 . 1 336 37 37 SER N N 120.4070 . 1 337 38 38 THR H H 8.5330 . 1 338 38 38 THR HA H 3.7570 . 1 339 38 38 THR HB H 4.2440 . 1 340 38 38 THR HG2 H 1.1220 . 1 341 38 38 THR CA C 65.8140 . 1 342 38 38 THR CB C 67.7240 . 1 343 38 38 THR CG2 C 22.8330 . 1 344 38 38 THR N N 116.7030 . 1 345 39 39 LYS H H 8.0590 . 1 346 39 39 LYS HA H 4.1140 . 1 347 39 39 LYS HB3 H 1.8390 . 2 348 39 39 LYS HG2 H 1.5070 . 2 349 39 39 LYS HG3 H 1.4440 . 2 350 39 39 LYS HD3 H 1.6970 . 2 351 39 39 LYS HE3 H 3.0030 . 2 352 39 39 LYS CA C 58.7370 . 1 353 39 39 LYS CB C 32.2870 . 1 354 39 39 LYS CG C 25.0800 . 1 355 39 39 LYS CD C 29.1880 . 1 356 39 39 LYS CE C 42.1340 . 1 357 39 39 LYS N N 120.3790 . 1 358 40 40 GLU H H 7.6350 . 1 359 40 40 GLU HA H 4.3380 . 1 360 40 40 GLU HB2 H 2.0460 . 2 361 40 40 GLU HB3 H 1.9470 . 2 362 40 40 GLU HG2 H 2.2470 . 2 363 40 40 GLU HG3 H 2.2980 . 2 364 40 40 GLU CA C 56.9290 . 1 365 40 40 GLU CB C 29.9810 . 1 366 40 40 GLU CG C 36.6370 . 1 367 40 40 GLU N N 117.3470 . 1 368 41 41 LEU H H 7.6820 . 1 369 41 41 LEU HA H 3.8410 . 1 370 41 41 LEU HB2 H 1.5660 . 2 371 41 41 LEU HB3 H 1.6040 . 2 372 41 41 LEU HG H 1.6690 . 1 373 41 41 LEU HD1 H 0.8320 . 2 374 41 41 LEU HD2 H 0.9120 . 2 375 41 41 LEU CA C 57.7220 . 1 376 41 41 LEU CB C 42.2410 . 1 377 41 41 LEU CG C 27.1280 . 1 378 41 41 LEU CD1 C 25.2830 . 2 379 41 41 LEU CD2 C 24.4520 . 2 380 41 41 LEU N N 119.3420 . 1 381 42 42 GLY H H 8.6160 . 1 382 42 42 GLY HA2 H 3.8680 . 2 383 42 42 GLY HA3 H 3.5290 . 2 384 42 42 GLY CA C 47.8030 . 1 385 42 42 GLY N N 106.6530 . 1 386 43 43 LYS H H 7.3150 . 1 387 43 43 LYS HA H 3.9730 . 1 388 43 43 LYS HB3 H 1.8370 . 2 389 43 43 LYS HG2 H 1.4010 . 2 390 43 43 LYS HG3 H 1.5490 . 2 391 43 43 LYS HD3 H 1.7920 . 2 392 43 43 LYS HE3 H 2.9990 . 2 393 43 43 LYS CA C 59.5290 . 1 394 43 43 LYS CB C 32.4990 . 1 395 43 43 LYS CG C 25.3860 . 1 396 43 43 LYS CD C 29.7400 . 1 397 43 43 LYS CE C 42.1230 . 1 398 43 43 LYS N N 121.0410 . 1 399 44 44 VAL H H 7.4760 . 1 400 44 44 VAL HA H 3.4770 . 1 401 44 44 VAL HB H 1.9500 . 1 402 44 44 VAL HG1 H 0.7280 . 2 403 44 44 VAL HG2 H 0.6450 . 2 404 44 44 VAL CA C 65.8490 . 1 405 44 44 VAL CB C 31.4910 . 1 406 44 44 VAL CG1 C 21.6550 . 2 407 44 44 VAL CG2 C 22.4520 . 2 408 44 44 VAL N N 120.1630 . 1 409 45 45 MET H H 8.2250 . 1 410 45 45 MET HA H 4.0970 . 1 411 45 45 MET HB3 H 2.0720 . 2 412 45 45 MET HG3 H 2.5330 . 2 413 45 45 MET HE H 1.8070 . 1 414 45 45 MET CA C 58.6760 . 1 415 45 45 MET CB C 31.2160 . 1 416 45 45 MET CG C 33.3540 . 1 417 45 45 MET CE C 18.0140 . 1 418 45 45 MET N N 116.1620 . 1 419 46 46 ARG H H 7.9170 . 1 420 46 46 ARG HA H 4.5800 . 1 421 46 46 ARG HB3 H 1.9250 . 2 422 46 46 ARG HG2 H 1.9070 . 2 423 46 46 ARG HG3 H 1.7760 . 2 424 46 46 ARG HD2 H 3.1960 . 2 425 46 46 ARG HD3 H 3.2550 . 2 426 46 46 ARG CA C 59.2580 . 1 427 46 46 ARG CB C 30.0270 . 1 428 46 46 ARG CG C 28.3830 . 1 429 46 46 ARG CD C 43.4790 . 1 430 46 46 ARG N N 119.1170 . 1 431 47 47 MET H H 7.9890 . 1 432 47 47 MET HA H 4.2820 . 1 433 47 47 MET HB2 H 2.4760 . 2 434 47 47 MET HB3 H 2.4730 . 2 435 47 47 MET HG2 H 2.8950 . 2 436 47 47 MET HG3 H 2.7590 . 2 437 47 47 MET HE H 2.2340 . 1 438 47 47 MET CA C 59.0010 . 1 439 47 47 MET CB C 32.5310 . 1 440 47 47 MET CG C 32.5360 . 1 441 47 47 MET CE C 17.2930 . 1 442 47 47 MET N N 121.8360 . 1 443 48 48 LEU H H 7.5380 . 1 444 48 48 LEU HA H 4.5520 . 1 445 48 48 LEU HB3 H 1.9080 . 2 446 48 48 LEU HG H 1.9720 . 1 447 48 48 LEU HD1 H 1.0480 . 2 448 48 48 LEU HD2 H 1.1120 . 2 449 48 48 LEU CA C 54.4700 . 1 450 48 48 LEU CB C 42.1260 . 1 451 48 48 LEU CG C 26.6650 . 1 452 48 48 LEU CD1 C 26.6860 . 2 453 48 48 LEU CD2 C 22.6540 . 2 454 48 48 LEU N N 118.0040 . 1 455 49 49 GLY H H 7.8490 . 1 456 49 49 GLY HA2 H 4.2470 . 2 457 49 49 GLY HA3 H 3.8310 . 2 458 49 49 GLY CA C 45.9380 . 1 459 49 49 GLY N N 107.3680 . 1 460 50 50 GLN H H 8.1680 . 1 461 50 50 GLN HA H 4.5010 . 1 462 50 50 GLN HB2 H 2.1370 . 2 463 50 50 GLN HB3 H 1.6270 . 2 464 50 50 GLN HG3 H 2.1710 . 2 465 50 50 GLN HE21 H 7.3720 . 2 466 50 50 GLN HE22 H 6.8090 . 2 467 50 50 GLN CA C 54.0710 . 1 468 50 50 GLN CB C 30.9160 . 1 469 50 50 GLN CG C 33.4520 . 1 470 50 50 GLN N N 118.8230 . 1 471 50 50 GLN NE2 N 111.9330 . 1 472 51 51 ASN H H 8.6710 . 1 473 51 51 ASN HA H 5.1180 . 1 474 51 51 ASN HB2 H 2.7560 . 2 475 51 51 ASN HB3 H 2.5120 . 2 476 51 51 ASN HD21 H 6.7290 . 2 477 51 51 ASN HD22 H 7.4840 . 2 478 51 51 ASN CA C 51.2690 . 1 479 51 51 ASN CB C 39.4820 . 1 480 51 51 ASN N N 116.9480 . 1 481 51 51 ASN ND2 N 112.2170 . 1 482 52 52 PRO HA H 4.7350 . 1 483 52 52 PRO HB2 H 1.9440 . 2 484 52 52 PRO HB3 H 2.2160 . 2 485 52 52 PRO HG2 H 1.9090 . 2 486 52 52 PRO HG3 H 1.8710 . 2 487 52 52 PRO HD2 H 3.5830 . 2 488 52 52 PRO HD3 H 3.3250 . 2 489 52 52 PRO CA C 62.5510 . 1 490 52 52 PRO CB C 31.5970 . 1 491 52 52 PRO CG C 27.4470 . 1 492 52 52 PRO CD C 49.8530 . 1 493 53 53 THR H H 8.7900 . 1 494 53 53 THR HA H 4.6060 . 1 495 53 53 THR HB H 4.7910 . 1 496 53 53 THR HG2 H 1.3880 . 1 497 53 53 THR CA C 60.5920 . 1 498 53 53 THR CB C 68.0990 . 1 499 53 53 THR CG2 C 22.1550 . 1 500 53 53 THR N N 114.3950 . 1 501 54 54 PRO HA H 4.1720 . 1 502 54 54 PRO HB2 H 2.4000 . 2 503 54 54 PRO HB3 H 1.9270 . 2 504 54 54 PRO HG2 H 2.2420 . 2 505 54 54 PRO HG3 H 2.0080 . 2 506 54 54 PRO HD3 H 3.9250 . 2 507 54 54 PRO CA C 66.1750 . 1 508 54 54 PRO CB C 31.7170 . 1 509 54 54 PRO CG C 28.3380 . 1 510 54 54 PRO CD C 50.1850 . 1 511 55 55 GLU H H 8.7880 . 1 512 55 55 GLU HA H 4.0220 . 1 513 55 55 GLU HB2 H 2.0410 . 2 514 55 55 GLU HB3 H 1.9500 . 2 515 55 55 GLU HG2 H 2.4550 . 2 516 55 55 GLU HG3 H 2.2700 . 2 517 55 55 GLU CA C 60.4160 . 1 518 55 55 GLU CB C 28.8760 . 1 519 55 55 GLU CG C 37.1580 . 1 520 55 55 GLU N N 117.4490 . 1 521 56 56 GLU H H 7.7730 . 1 522 56 56 GLU HA H 4.0060 . 1 523 56 56 GLU HB2 H 2.3020 . 2 524 56 56 GLU HB3 H 1.9040 . 2 525 56 56 GLU HG3 H 2.3010 . 2 526 56 56 GLU CA C 58.8210 . 1 527 56 56 GLU CB C 30.0440 . 1 528 56 56 GLU CG C 37.1150 . 1 529 56 56 GLU N N 121.6220 . 1 530 57 57 LEU H H 8.5580 . 1 531 57 57 LEU HA H 4.0290 . 1 532 57 57 LEU HB2 H 1.6960 . 2 533 57 57 LEU HB3 H 1.5740 . 2 534 57 57 LEU HG H 1.5810 . 1 535 57 57 LEU HD1 H 0.8140 . 2 536 57 57 LEU HD2 H 0.8140 . 2 537 57 57 LEU CA C 57.8740 . 1 538 57 57 LEU CB C 41.9890 . 1 539 57 57 LEU CG C 26.8950 . 1 540 57 57 LEU CD1 C 24.4500 . 2 541 57 57 LEU CD2 C 25.0720 . 2 542 57 57 LEU N N 120.5350 . 1 543 58 58 GLN H H 7.8640 . 1 544 58 58 GLN HA H 3.8240 . 1 545 58 58 GLN HB3 H 2.1370 . 2 546 58 58 GLN HG3 H 2.3910 . 2 547 58 58 GLN HE21 H 7.7900 . 2 548 58 58 GLN HE22 H 6.8300 . 2 549 58 58 GLN CA C 58.4760 . 1 550 58 58 GLN CB C 28.3000 . 1 551 58 58 GLN CG C 33.6650 . 1 552 58 58 GLN N N 117.4970 . 1 553 58 58 GLN NE2 N 115.5510 . 1 554 59 59 GLU H H 7.6500 . 1 555 59 59 GLU HA H 4.0690 . 1 556 59 59 GLU HB2 H 2.0970 . 2 557 59 59 GLU HB3 H 2.0850 . 2 558 59 59 GLU HG2 H 2.4120 . 2 559 59 59 GLU HG3 H 2.2150 . 2 560 59 59 GLU CA C 59.3930 . 1 561 59 59 GLU CB C 29.4860 . 1 562 59 59 GLU CG C 36.2670 . 1 563 59 59 GLU N N 118.2510 . 1 564 60 60 MET H H 7.8770 . 1 565 60 60 MET HA H 3.9840 . 1 566 60 60 MET HB2 H 2.2320 . 2 567 60 60 MET HB3 H 2.0680 . 2 568 60 60 MET HG2 H 2.4350 . 2 569 60 60 MET HG3 H 2.6380 . 2 570 60 60 MET HE H 1.9620 . 1 571 60 60 MET CA C 59.3050 . 1 572 60 60 MET CB C 33.3240 . 1 573 60 60 MET CG C 32.4520 . 1 574 60 60 MET CE C 17.1830 . 1 575 60 60 MET N N 117.6110 . 1 576 61 61 ILE H H 8.2300 . 1 577 61 61 ILE HA H 3.3140 . 1 578 61 61 ILE HB H 1.8630 . 1 579 61 61 ILE HG12 H 1.7840 . 2 580 61 61 ILE HG13 H 0.7120 . 2 581 61 61 ILE HG2 H 0.8460 . 1 582 61 61 ILE HD1 H 0.7790 . 1 583 61 61 ILE CA C 66.0600 . 1 584 61 61 ILE CB C 38.0140 . 1 585 61 61 ILE CG1 C 30.3910 . 1 586 61 61 ILE CG2 C 17.2350 . 1 587 61 61 ILE CD1 C 14.3080 . 1 588 61 61 ILE N N 120.0090 . 1 589 62 62 ASP H H 8.1540 . 1 590 62 62 ASP HA H 4.3220 . 1 591 62 62 ASP HB2 H 2.7780 . 2 592 62 62 ASP HB3 H 2.6720 . 2 593 62 62 ASP CA C 57.0520 . 1 594 62 62 ASP CB C 40.4380 . 1 595 62 62 ASP N N 118.2960 . 1 596 63 63 GLU H H 7.5360 . 1 597 63 63 GLU HA H 4.1980 . 1 598 63 63 GLU HB3 H 2.0130 . 2 599 63 63 GLU HG3 H 2.2380 . 2 600 63 63 GLU CA C 57.9830 . 1 601 63 63 GLU CB C 30.7820 . 1 602 63 63 GLU CG C 36.2670 . 1 603 63 63 GLU N N 116.0160 . 1 604 64 64 VAL H H 7.9910 . 1 605 64 64 VAL HA H 4.2050 . 1 606 64 64 VAL HB H 2.2490 . 1 607 64 64 VAL HG1 H 0.8890 . 2 608 64 64 VAL CA C 63.1560 . 1 609 64 64 VAL CB C 32.3440 . 1 610 64 64 VAL CG1 C 21.4650 . 2 611 64 64 VAL N N 113.8220 . 1 612 65 65 ASP H H 8.1440 . 1 613 65 65 ASP HA H 4.9600 . 1 614 65 65 ASP HB2 H 2.9190 . 2 615 65 65 ASP HB3 H 2.1990 . 2 616 65 65 ASP CA C 52.9240 . 1 617 65 65 ASP CB C 39.0720 . 1 618 65 65 ASP N N 120.4860 . 1 619 66 66 GLU H H 8.3120 . 1 620 66 66 GLU HA H 4.0460 . 1 621 66 66 GLU HB3 H 2.1520 . 2 622 66 66 GLU HG2 H 2.3410 . 2 623 66 66 GLU HG3 H 2.3930 . 2 624 66 66 GLU CA C 59.1660 . 1 625 66 66 GLU CB C 30.4180 . 1 626 66 66 GLU CG C 36.3560 . 1 627 66 66 GLU N N 126.7990 . 1 628 67 67 ASP H H 8.0020 . 1 629 67 67 ASP HA H 4.6440 . 1 630 67 67 ASP HB2 H 3.0940 . 2 631 67 67 ASP HB3 H 2.7610 . 2 632 67 67 ASP CA C 52.5180 . 1 633 67 67 ASP CB C 39.8130 . 1 634 67 67 ASP N N 114.0690 . 1 635 68 68 GLY H H 7.9120 . 1 636 68 68 GLY HA2 H 3.8600 . 2 637 68 68 GLY HA3 H 3.8090 . 2 638 68 68 GLY CA C 47.0750 . 1 639 68 68 GLY N N 109.2200 . 1 640 69 69 SER H H 8.4060 . 1 641 69 69 SER HA H 4.2040 . 1 642 69 69 SER HB2 H 4.2150 . 2 643 69 69 SER HB3 H 3.9240 . 2 644 69 69 SER CA C 60.1340 . 1 645 69 69 SER CB C 64.8530 . 1 646 69 69 SER N N 115.7180 . 1 647 70 70 GLY H H 10.7670 . 1 648 70 70 GLY HA2 H 4.1950 . 2 649 70 70 GLY HA3 H 3.5960 . 2 650 70 70 GLY CA C 45.7730 . 1 651 70 70 GLY N N 116.3090 . 1 652 71 71 THR H H 7.8480 . 1 653 71 71 THR HA H 4.9590 . 1 654 71 71 THR HB H 3.9970 . 1 655 71 71 THR HG2 H 1.0810 . 1 656 71 71 THR CA C 58.4560 . 1 657 71 71 THR CB C 72.9580 . 1 658 71 71 THR CG2 C 22.5100 . 1 659 71 71 THR N N 109.8930 . 1 660 72 72 VAL H H 9.7000 . 1 661 72 72 VAL HA H 5.1350 . 1 662 72 72 VAL HB H 2.1580 . 1 663 72 72 VAL HG1 H 0.8720 . 2 664 72 72 VAL HG2 H 1.1570 . 2 665 72 72 VAL CA C 61.0140 . 1 666 72 72 VAL CB C 33.7210 . 1 667 72 72 VAL CG1 C 21.8540 . 2 668 72 72 VAL CG2 C 21.6920 . 2 669 72 72 VAL N N 126.2930 . 1 670 73 73 ASP H H 8.5960 . 1 671 73 73 ASP HA H 5.1780 . 1 672 73 73 ASP HB2 H 3.2590 . 2 673 73 73 ASP HB3 H 2.6680 . 2 674 73 73 ASP CA C 52.5260 . 1 675 73 73 ASP CB C 41.8270 . 1 676 73 73 ASP N N 127.3850 . 1 677 74 74 PHE H H 8.8710 . 1 678 74 74 PHE HA H 3.3990 . 1 679 74 74 PHE HB2 H 2.6470 . 2 680 74 74 PHE HB3 H 2.5560 . 2 681 74 74 PHE HD2 H 6.6030 . 3 682 74 74 PHE HE2 H 7.1480 . 3 683 74 74 PHE CA C 61.5390 . 1 684 74 74 PHE CB C 38.5850 . 1 685 74 74 PHE CD2 C 132.0490 . 3 686 74 74 PHE CE2 C 131.1060 . 3 687 74 74 PHE N N 118.6210 . 1 688 75 75 ASP H H 7.7880 . 1 689 75 75 ASP HA H 4.0820 . 1 690 75 75 ASP HB2 H 2.7100 . 2 691 75 75 ASP HB3 H 2.5830 . 2 692 75 75 ASP CA C 57.9600 . 1 693 75 75 ASP CB C 40.3570 . 1 694 75 75 ASP N N 117.2640 . 1 695 76 76 GLU H H 8.1810 . 1 696 76 76 GLU HA H 3.9850 . 1 697 76 76 GLU HB2 H 2.4390 . 2 698 76 76 GLU HB3 H 1.9540 . 2 699 76 76 GLU HG2 H 2.8870 . 2 700 76 76 GLU HG3 H 2.5000 . 2 701 76 76 GLU CA C 58.6770 . 1 702 76 76 GLU CB C 30.0630 . 1 703 76 76 GLU CG C 36.5830 . 1 704 76 76 GLU N N 120.5350 . 1 705 77 77 PHE H H 8.8370 . 1 706 77 77 PHE HA H 3.8910 . 1 707 77 77 PHE HB3 H 3.0670 . 2 708 77 77 PHE HD2 H 6.9250 . 3 709 77 77 PHE HE2 H 7.2290 . 3 710 77 77 PHE CA C 61.0850 . 1 711 77 77 PHE CB C 39.6880 . 1 712 77 77 PHE CD2 C 131.4300 . 3 713 77 77 PHE CE2 C 131.1060 . 3 714 77 77 PHE N N 121.6370 . 1 715 78 78 LEU H H 8.0680 . 1 716 78 78 LEU HA H 3.3600 . 1 717 78 78 LEU HB2 H 1.8010 . 2 718 78 78 LEU HB3 H 1.0610 . 2 719 78 78 LEU HG H 1.0510 . 1 720 78 78 LEU HD1 H 0.6490 . 2 721 78 78 LEU HD2 H 0.6840 . 2 722 78 78 LEU CA C 58.0920 . 1 723 78 78 LEU CB C 41.5460 . 1 724 78 78 LEU CG C 25.9090 . 1 725 78 78 LEU CD1 C 25.9470 . 2 726 78 78 LEU CD2 C 24.0490 . 2 727 78 78 LEU N N 118.5140 . 1 728 79 79 VAL H H 7.0730 . 1 729 79 79 VAL HA H 3.2430 . 1 730 79 79 VAL HB H 2.2130 . 1 731 79 79 VAL HG1 H 0.6430 . 2 732 79 79 VAL HG2 H 0.9990 . 2 733 79 79 VAL CA C 66.6450 . 1 734 79 79 VAL CB C 31.0270 . 1 735 79 79 VAL CG1 C 21.8070 . 2 736 79 79 VAL CG2 C 23.3680 . 2 737 79 79 VAL N N 117.8920 . 1 738 80 80 MET H H 7.7660 . 1 739 80 80 MET HA H 3.6120 . 1 740 80 80 MET HB2 H 2.0960 . 2 741 80 80 MET HB3 H 1.9260 . 2 742 80 80 MET HG2 H 2.4800 . 2 743 80 80 MET HG3 H 2.0880 . 2 744 80 80 MET HE H 1.8390 . 1 745 80 80 MET CA C 59.2050 . 1 746 80 80 MET CB C 32.7250 . 1 747 80 80 MET CG C 32.3030 . 1 748 80 80 MET CE C 17.5830 . 1 749 80 80 MET N N 119.2670 . 1 750 81 81 MET H H 8.0330 . 1 751 81 81 MET HA H 4.0090 . 1 752 81 81 MET HB2 H 1.0530 . 2 753 81 81 MET HB3 H 1.5050 . 2 754 81 81 MET HG2 H 1.2190 . 2 755 81 81 MET HG3 H 1.0050 . 2 756 81 81 MET HE H 1.3740 . 1 757 81 81 MET CA C 56.1020 . 1 758 81 81 MET CB C 30.6760 . 1 759 81 81 MET CG C 31.3930 . 1 760 81 81 MET CE C 17.1860 . 1 761 81 81 MET N N 117.4930 . 1 762 82 82 VAL H H 8.0590 . 1 763 82 82 VAL HA H 3.9270 . 1 764 82 82 VAL HB H 2.1970 . 1 765 82 82 VAL HG1 H 0.9860 . 2 766 82 82 VAL HG2 H 1.1160 . 2 767 82 82 VAL CA C 65.8050 . 1 768 82 82 VAL CB C 31.2770 . 1 769 82 82 VAL CG1 C 21.7950 . 2 770 82 82 VAL CG2 C 21.8610 . 2 771 82 82 VAL N N 117.5090 . 1 772 83 83 ARG H H 8.0920 . 1 773 83 83 ARG HA H 3.8420 . 1 774 83 83 ARG HB2 H 1.5080 . 2 775 83 83 ARG HB3 H 1.6770 . 2 776 83 83 ARG HG2 H 1.4480 . 2 777 83 83 ARG HG3 H 1.1620 . 2 778 83 83 ARG HD3 H 2.7180 . 2 779 83 83 ARG CA C 59.0480 . 1 780 83 83 ARG CB C 30.0600 . 1 781 83 83 ARG CG C 27.5500 . 1 782 83 83 ARG CD C 43.4040 . 1 783 83 83 ARG N N 120.5370 . 1 784 84 84 SER H H 7.7250 . 1 785 84 84 SER HA H 4.2710 . 1 786 84 84 SER HB2 H 3.8380 . 2 787 84 84 SER HB3 H 4.2690 . 2 788 84 84 SER CA C 60.3220 . 1 789 84 84 SER CB C 63.6690 . 1 790 84 84 SER N N 113.5700 . 1 791 85 85 MET H H 7.6410 . 1 792 85 85 MET HA H 4.3160 . 1 793 85 85 MET HB2 H 2.1920 . 2 794 85 85 MET HB3 H 2.0870 . 2 795 85 85 MET HG2 H 2.7710 . 2 796 85 85 MET HG3 H 2.5830 . 2 797 85 85 MET HE H 2.1310 . 1 798 85 85 MET CA C 56.8040 . 1 799 85 85 MET CB C 33.6410 . 1 800 85 85 MET CG C 32.1050 . 1 801 85 85 MET CE C 16.8970 . 1 802 85 85 MET N N 119.9690 . 1 803 86 86 LYS H H 7.7700 . 1 804 86 86 LYS HA H 4.3290 . 1 805 86 86 LYS HB2 H 1.8620 . 2 806 86 86 LYS HB3 H 1.9090 . 2 807 86 86 LYS HG3 H 1.4970 . 2 808 86 86 LYS HD3 H 1.6780 . 2 809 86 86 LYS HE3 H 3.0030 . 2 810 86 86 LYS CA C 56.6080 . 1 811 86 86 LYS CB C 33.0510 . 1 812 86 86 LYS CG C 24.4920 . 1 813 86 86 LYS CD C 29.1880 . 1 814 86 86 LYS CE C 42.1340 . 1 815 86 86 LYS N N 120.7400 . 1 816 87 87 ASP H H 8.2610 . 1 817 87 87 ASP HA H 4.6930 . 1 818 87 87 ASP HB3 H 2.6930 . 2 819 87 87 ASP CA C 54.2990 . 1 820 87 87 ASP CB C 41.1450 . 1 821 87 87 ASP N N 121.7370 . 1 822 88 88 ASP H H 8.2710 . 1 823 88 88 ASP HA H 4.6740 . 1 824 88 88 ASP HB3 H 2.7590 . 2 825 88 88 ASP CA C 54.2310 . 1 826 88 88 ASP CB C 41.3370 . 1 827 88 88 ASP N N 121.8520 . 1 828 89 89 SER H H 7.9210 . 1 829 89 89 SER HA H 4.2450 . 1 830 89 89 SER CA C 60.2340 . 1 831 89 89 SER CB C 64.8950 . 1 832 89 89 SER N N 121.2770 . 1 stop_ save_