data_27732 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 15N, 13C and 1H backbone resonance assignments of the apo FKBP12 protein from Aspergillus fumigatus ; _BMRB_accession_number 27732 _BMRB_flat_file_name bmr27732.str _Entry_type original _Submission_date 2018-12-19 _Accession_date 2018-12-19 _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 Gobeil Sophie M.C. . 2 Bobay Benjamin G. . 3 Spicer Leonard D. . 4 Venters Ronald A. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 527 "13C chemical shifts" 439 "15N chemical shifts" 103 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-04-17 update BMRB 'update entry citation' 2019-03-08 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27733 'FKBP12 protein from Aspergillus fumigatus bound to FK506' 27734 'FKBP12 from the pathogenic fungi Mucor circinelloides' 27737 'FKBP12 protein from the pathogenic fungi Mucor circinelloides bound to FK506' 27738 'Human FKBP12 protein' 27739 'Human FKBP12 protein bound to FK506' stop_ _Original_release_date 2018-12-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 15N, 13C and 1H resonance assignments of FKBP12 proteins from the pathogenic fungi Mucor circinelloides and Aspergillus fumigatus ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30707421 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gobeil Sophie M.C. . 2 Bobay Benjamin G. . 3 Spicer Leonard D. . 4 Venters Ronald A. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 13 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 207 _Page_last 212 _Year 2019 _Details . loop_ _Keyword 'Aspergillus fumigatus' Calcineurin FK506 FKBP12 'Mucor circinelloides' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name FKBP12 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FKBP12 $FKBP12 stop_ _System_molecular_weight 12000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'cis-trans peptidyl-prolyl isomerase' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_FKBP12 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FKBP12 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'cis-trans peptidyl-prolyl isomerase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 112 _Mol_residue_sequence ; MGVTKELKSPGNGVDFPKKG DFVTIHYTGRLTDGSKFDSS VDRNEPFQTQIGTGRVIKGW DEGVPQMSLGEKAVLTITPD YGYGARGFPPVIPGNSTLIF EVELLGINNKRA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 VAL 4 THR 5 LYS 6 GLU 7 LEU 8 LYS 9 SER 10 PRO 11 GLY 12 ASN 13 GLY 14 VAL 15 ASP 16 PHE 17 PRO 18 LYS 19 LYS 20 GLY 21 ASP 22 PHE 23 VAL 24 THR 25 ILE 26 HIS 27 TYR 28 THR 29 GLY 30 ARG 31 LEU 32 THR 33 ASP 34 GLY 35 SER 36 LYS 37 PHE 38 ASP 39 SER 40 SER 41 VAL 42 ASP 43 ARG 44 ASN 45 GLU 46 PRO 47 PHE 48 GLN 49 THR 50 GLN 51 ILE 52 GLY 53 THR 54 GLY 55 ARG 56 VAL 57 ILE 58 LYS 59 GLY 60 TRP 61 ASP 62 GLU 63 GLY 64 VAL 65 PRO 66 GLN 67 MET 68 SER 69 LEU 70 GLY 71 GLU 72 LYS 73 ALA 74 VAL 75 LEU 76 THR 77 ILE 78 THR 79 PRO 80 ASP 81 TYR 82 GLY 83 TYR 84 GLY 85 ALA 86 ARG 87 GLY 88 PHE 89 PRO 90 PRO 91 VAL 92 ILE 93 PRO 94 GLY 95 ASN 96 SER 97 THR 98 LEU 99 ILE 100 PHE 101 GLU 102 VAL 103 GLU 104 LEU 105 LEU 106 GLY 107 ILE 108 ASN 109 ASN 110 LYS 111 ARG 112 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 NCBI XP_751096 FKBP12 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FKBP12 'Aspergillus fumigatus' 746128 Eukaryota Fungi Aspergillus fumigatus 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 $FKBP12 'recombinant technology' . Escherichia coli BL21(DE3) pET-15b 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 $FKBP12 0.5 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_AutoAssign _Saveframe_category software _Name AutoAssign _Version . loop_ _Vendor _Address _Electronic_address 'Zimmerman, Moseley, Kulikowski and Montelione' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_PINE _Saveframe_category software _Name PINE _Version . loop_ _Vendor _Address _Electronic_address 'Bahrami, Markley, Assadi, and Eghbalnia' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 6.0 . pH pressure 1 . atm temperature 273 . 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_ _Software_label $TOPSPIN stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HNHA' '3D HN(COCA)CB' 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 FKBP12 _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 HA H 4.3600 0.0000 1 2 1 1 MET HB3 H 1.9650 0.0000 1 3 1 1 MET HG3 H 2.4900 0.0000 1 4 1 1 MET C C 176.0770 0.0000 1 5 1 1 MET CA C 55.2450 0.0000 1 6 1 1 MET CB C 32.9860 0.0000 1 7 1 1 MET CG C 31.6930 0.0000 1 8 2 2 GLY H H 7.9840 0.0000 1 9 2 2 GLY HA2 H 2.4600 0.0000 1 10 2 2 GLY HA3 H 3.5310 0.0000 1 11 2 2 GLY C C 172.5750 0.0000 1 12 2 2 GLY CA C 45.7580 0.0000 1 13 2 2 GLY N N 111.5900 0.0000 1 14 3 3 VAL H H 7.2960 0.0000 1 15 3 3 VAL HA H 5.1400 0.0000 1 16 3 3 VAL HB H 1.9970 0.0000 1 17 3 3 VAL HG1 H 0.8920 0.0000 1 18 3 3 VAL HG2 H 0.9240 0.0000 1 19 3 3 VAL C C 173.6320 0.0000 1 20 3 3 VAL CA C 59.3000 0.0000 1 21 3 3 VAL CB C 34.4000 0.0000 1 22 3 3 VAL CG1 C 22.8060 0.0000 1 23 3 3 VAL CG2 C 18.9520 0.0000 1 24 3 3 VAL N N 115.8310 0.0000 1 25 4 4 THR H H 8.4850 0.0000 1 26 4 4 THR HA H 4.5800 0.0000 1 27 4 4 THR HB H 4.0700 0.0000 1 28 4 4 THR HG2 H 1.1900 0.0000 1 29 4 4 THR C C 172.6260 0.0000 1 30 4 4 THR CA C 60.8210 0.0000 1 31 4 4 THR CB C 70.9790 0.0000 1 32 4 4 THR CG2 C 21.6590 0.0000 1 33 4 4 THR N N 121.0250 0.0000 1 34 5 5 LYS H H 9.1000 0.0000 1 35 5 5 LYS HA H 5.1930 0.0000 1 36 5 5 LYS HB2 H 1.1920 0.0000 1 37 5 5 LYS HB3 H 1.9630 0.0000 1 38 5 5 LYS HG2 H 1.0480 0.0000 1 39 5 5 LYS HG3 H 1.2440 0.0000 1 40 5 5 LYS HD3 H 1.6100 0.0000 1 41 5 5 LYS C C 175.0080 0.0000 1 42 5 5 LYS CA C 55.3700 0.0000 1 43 5 5 LYS CB C 34.3130 0.0000 1 44 5 5 LYS CG C 25.2450 0.0000 1 45 5 5 LYS CD C 28.7530 0.0000 1 46 5 5 LYS N N 126.7800 0.0000 1 47 6 6 GLU H H 9.2250 0.0000 1 48 6 6 GLU HA H 4.7000 0.0000 1 49 6 6 GLU HB2 H 2.0640 0.0000 1 50 6 6 GLU HB3 H 1.8780 0.0000 1 51 6 6 GLU HG2 H 2.2490 0.0000 1 52 6 6 GLU HG3 H 2.0350 0.0000 1 53 6 6 GLU C C 175.0950 0.0000 1 54 6 6 GLU CA C 54.3930 0.0000 1 55 6 6 GLU CB C 32.2350 0.0000 1 56 6 6 GLU CG C 35.9770 0.0000 1 57 6 6 GLU N N 129.2880 0.0000 1 58 7 7 LEU H H 8.9130 0.0000 1 59 7 7 LEU HA H 4.1100 0.0000 1 60 7 7 LEU HB2 H 1.7600 0.0000 1 61 7 7 LEU HB3 H 1.5710 0.0000 1 62 7 7 LEU HG H 1.4720 0.0000 1 63 7 7 LEU HD1 H 0.9120 0.0000 1 64 7 7 LEU HD2 H 0.7100 0.0000 1 65 7 7 LEU C C 176.1890 0.0000 1 66 7 7 LEU CA C 57.6630 0.0000 1 67 7 7 LEU CB C 43.0500 0.0000 1 68 7 7 LEU CG C 27.6530 0.0000 1 69 7 7 LEU CD1 C 26.2240 0.0000 1 70 7 7 LEU CD2 C 25.1810 0.0000 1 71 7 7 LEU N N 130.3330 0.0000 1 72 8 8 LYS H H 9.1620 0.0000 1 73 8 8 LYS HA H 4.6810 0.0000 1 74 8 8 LYS HB2 H 1.5630 0.0000 1 75 8 8 LYS HB3 H 1.8070 0.0000 1 76 8 8 LYS HG3 H 1.4180 0.0000 1 77 8 8 LYS HD3 H 1.5920 0.0000 1 78 8 8 LYS HE3 H 2.7800 0.0000 1 79 8 8 LYS C C 176.7700 0.0000 1 80 8 8 LYS CA C 55.9680 0.0000 1 81 8 8 LYS CB C 32.4320 0.0000 1 82 8 8 LYS CG C 23.8470 0.0000 1 83 8 8 LYS CD C 27.7000 0.0000 1 84 8 8 LYS CE C 41.7940 0.0000 1 85 8 8 LYS N N 125.9380 0.0000 1 86 9 9 SER H H 8.4470 0.0000 1 87 9 9 SER HA H 4.9660 0.0000 1 88 9 9 SER HB2 H 3.8300 0.0000 1 89 9 9 SER HB3 H 3.7440 0.0000 1 90 9 9 SER C C 171.9000 0.0000 1 91 9 9 SER CA C 55.8040 0.0000 1 92 9 9 SER CB C 64.6010 0.0000 1 93 9 9 SER N N 114.6520 0.0000 1 94 10 10 PRO HA H 4.4260 0.0000 1 95 10 10 PRO HB2 H 2.3040 0.0000 1 96 10 10 PRO HB3 H 2.1540 0.0000 1 97 10 10 PRO HG3 H 2.1030 0.0000 1 98 10 10 PRO HD2 H 3.8410 0.0000 1 99 10 10 PRO HD3 H 3.7190 0.0000 1 100 10 10 PRO C C 178.1240 0.0000 1 101 10 10 PRO CA C 63.5590 0.0000 1 102 10 10 PRO CB C 32.7670 0.0000 1 103 10 10 PRO CG C 27.1640 0.0000 1 104 10 10 PRO CD C 51.1600 0.0000 1 105 11 11 GLY H H 8.8870 0.0000 1 106 11 11 GLY HA2 H 4.1160 0.0000 1 107 11 11 GLY HA3 H 3.5260 0.0000 1 108 11 11 GLY C C 174.6230 0.0000 1 109 11 11 GLY CA C 44.1230 0.0000 1 110 11 11 GLY N N 110.0760 0.0000 1 111 12 12 ASN H H 8.4430 0.0000 1 112 12 12 ASN HA H 4.3730 0.0000 1 113 12 12 ASN HB2 H 3.2820 0.0000 1 114 12 12 ASN HB3 H 2.9610 0.0000 1 115 12 12 ASN C C 177.5180 0.0000 1 116 12 12 ASN CA C 53.3570 0.0000 1 117 12 12 ASN CB C 37.1300 0.0000 1 118 12 12 ASN N N 117.9690 0.0000 1 119 13 13 GLY H H 8.8450 0.0000 1 120 13 13 GLY HA2 H 4.0740 0.0000 1 121 13 13 GLY HA3 H 3.5380 0.0000 1 122 13 13 GLY C C 173.1260 0.0000 1 123 13 13 GLY CA C 45.9180 0.0000 1 124 13 13 GLY N N 107.1830 0.0000 1 125 14 14 VAL H H 8.2020 0.0000 1 126 14 14 VAL HA H 4.4370 0.0000 1 127 14 14 VAL HB H 1.7140 0.0000 1 128 14 14 VAL HG1 H 0.8840 0.0000 1 129 14 14 VAL HG2 H 0.8150 0.0000 1 130 14 14 VAL C C 174.7530 0.0000 1 131 14 14 VAL CA C 63.1130 0.0000 1 132 14 14 VAL CB C 35.5570 0.0000 1 133 14 14 VAL CG1 C 21.3260 0.0000 1 134 14 14 VAL CG2 C 20.391 0.0000 1 135 14 14 VAL N N 116.6910 0.0000 1 136 15 15 ASP H H 8.3100 0.0000 1 137 15 15 ASP HA H 4.9120 0.0000 1 138 15 15 ASP HB2 H 2.5600 0.0000 1 139 15 15 ASP HB3 H 2.3490 0.0000 1 140 15 15 ASP C C 172.6550 0.0000 1 141 15 15 ASP CA C 54.4660 0.0000 1 142 15 15 ASP CB C 43.2360 0.0000 1 143 15 15 ASP N N 121.8280 0.0000 1 144 16 16 PHE H H 8.4810 0.0000 1 145 16 16 PHE HA H 5.2020 0.0000 1 146 16 16 PHE HB2 H 3.1280 0.0000 1 147 16 16 PHE HB3 H 2.1620 0.0000 1 148 16 16 PHE C C 174.4000 0.0000 1 149 16 16 PHE CA C 54.2120 0.0000 1 150 16 16 PHE CB C 40.2870 0.0000 1 151 16 16 PHE N N 122.1380 0.0000 1 152 17 17 PRO HA H 4.6030 0.0000 1 153 17 17 PRO HB2 H 2.0770 0.0000 1 154 17 17 PRO HB3 H 1.5460 0.0000 1 155 17 17 PRO HG2 H 1.9380 0.0000 1 156 17 17 PRO HG3 H 1.7040 0.0000 1 157 17 17 PRO HD3 H 4.1400 0.0000 1 158 17 17 PRO C C 174.6460 0.0000 1 159 17 17 PRO CA C 62.4790 0.0000 1 160 17 17 PRO CB C 32.8040 0.0000 1 161 17 17 PRO CG C 28.6670 0.0000 1 162 17 17 PRO CD C 51.5740 0.0000 1 163 18 18 LYS H H 9.3550 0.0000 1 164 18 18 LYS HA H 4.5840 0.0000 1 165 18 18 LYS HB3 H 1.7530 0.0000 1 166 18 18 LYS HG3 H 1.4970 0.0000 1 167 18 18 LYS HD3 H 1.7040 0.0000 1 168 18 18 LYS HE2 H 2.8220 0.0000 1 169 18 18 LYS HE3 H 2.5000 0.0000 1 170 18 18 LYS C C 175.6540 0.0000 1 171 18 18 LYS CA C 53.3260 0.0000 1 172 18 18 LYS CB C 34.9800 0.0000 1 173 18 18 LYS CG C 24.1540 0.0000 1 174 18 18 LYS CD C 28.9730 0.0000 1 175 18 18 LYS CE C 41.5730 0.0000 1 176 18 18 LYS N N 122.7130 0.0000 1 177 19 19 LYS H H 8.3120 0.0000 1 178 19 19 LYS HA H 3.7900 0.0000 1 179 19 19 LYS HB2 H 1.8350 0.0000 1 180 19 19 LYS HB3 H 1.6710 0.0000 1 181 19 19 LYS HG2 H 1.2400 0.0000 1 182 19 19 LYS HG3 H 1.4830 0.0000 1 183 19 19 LYS HD3 H 1.6940 0.0000 1 184 19 19 LYS HE3 H 2.9900 0.0000 1 185 19 19 LYS C C 177.6300 0.0000 1 186 19 19 LYS CA C 59.3660 0.0000 1 187 19 19 LYS CB C 32.1110 0.0000 1 188 19 19 LYS CG C 24.6020 0.0000 1 189 19 19 LYS CD C 29.4980 0.0000 1 190 19 19 LYS CE C 41.8900 0.0000 1 191 19 19 LYS N N 119.3780 0.0000 1 192 20 20 GLY H H 8.9810 0.0000 1 193 20 20 GLY HA2 H 4.4870 0.0000 1 194 20 20 GLY HA3 H 3.2800 0.0000 1 195 20 20 GLY C C 174.7460 0.0000 1 196 20 20 GLY CA C 44.4780 0.0000 1 197 20 20 GLY N N 114.9790 0.0000 1 198 21 21 ASP H H 8.4600 0.0000 1 199 21 21 ASP HA H 4.8080 0.0000 1 200 21 21 ASP HB2 H 2.4950 0.0000 1 201 21 21 ASP HB3 H 2.8180 0.0000 1 202 21 21 ASP C C 175.8150 0.0000 1 203 21 21 ASP CA C 55.3380 0.0000 1 204 21 21 ASP CB C 41.6200 0.0000 1 205 21 21 ASP N N 121.6500 0.0000 1 206 22 22 PHE H H 8.5950 0.0000 1 207 22 22 PHE HA H 4.9790 0.0000 1 208 22 22 PHE HB2 H 2.9970 0.0000 1 209 22 22 PHE HB3 H 2.8680 0.0000 1 210 22 22 PHE C C 176.6070 0.0000 1 211 22 22 PHE CA C 57.8150 0.0000 1 212 22 22 PHE CB C 40.0510 0.0000 1 213 22 22 PHE N N 119.3850 0.0000 1 214 23 23 VAL H H 9.0980 0.0000 1 215 23 23 VAL HA H 5.1550 0.0000 1 216 23 23 VAL HB H 2.0540 0.0000 1 217 23 23 VAL HG1 H 0.7770 0.0000 1 218 23 23 VAL HG2 H 0.8330 0.0000 1 219 23 23 VAL C C 174.0920 0.0000 1 220 23 23 VAL CA C 58.4710 0.0000 1 221 23 23 VAL CB C 34.4580 0.0000 1 222 23 23 VAL CG1 C 18.9200 0.0000 1 223 23 23 VAL CG2 C 22.5060 0.0000 1 224 23 23 VAL N N 116.4770 0.0000 1 225 24 24 THR H H 8.0850 0.0000 1 226 24 24 THR HA H 5.0660 0.0000 1 227 24 24 THR HB H 3.4840 0.0000 1 228 24 24 THR HG2 H 0.8390 0.0000 1 229 24 24 THR C C 174.3930 0.0000 1 230 24 24 THR CA C 61.5060 0.0000 1 231 24 24 THR CB C 70.1010 0.0000 1 232 24 24 THR CG2 C 22.4740 0.0000 1 233 24 24 THR N N 118.0360 0.0000 1 234 25 25 ILE H H 9.6930 0.0000 1 235 25 25 ILE HA H 5.4930 0.0000 1 236 25 25 ILE HB H 1.7730 0.0000 1 237 25 25 ILE HG12 H 1.0330 0.0000 1 238 25 25 ILE HG13 H 1.5520 0.0000 1 239 25 25 ILE HG2 H 0.7410 0.0000 1 240 25 25 ILE HD1 H 0.0100 0.0000 1 241 25 25 ILE C C 174.5710 0.0000 1 242 25 25 ILE CA C 58.6750 0.0000 1 243 25 25 ILE CB C 43.1290 0.0000 1 244 25 25 ILE CG1 C 26.1450 0.0000 1 245 25 25 ILE CG2 C 18.0010 0.0000 1 246 25 25 ILE CD1 C 12.6400 0.0000 1 247 25 25 ILE N N 121.8010 0.0000 1 248 26 26 HIS H H 8.6710 0.0000 1 249 26 26 HIS HA H 5.9240 0.0000 1 250 26 26 HIS HB3 H 2.8980 0.0000 1 251 26 26 HIS C C 176.8660 0.0000 1 252 26 26 HIS CA C 53.3230 0.0000 1 253 26 26 HIS CB C 35.1780 0.0000 1 254 26 26 HIS N N 122.1280 0.0000 1 255 27 27 TYR H H 9.9150 0.0000 1 256 27 27 TYR HA H 6.3420 0.0000 1 257 27 27 TYR HB2 H 2.7070 0.0000 1 258 27 27 TYR HB3 H 3.1250 0.0000 1 259 27 27 TYR C C 174.1690 0.0000 1 260 27 27 TYR CA C 55.9860 0.0000 1 261 27 27 TYR CB C 43.7270 0.0000 1 262 27 27 TYR N N 120.0220 0.0000 1 263 28 28 THR H H 8.8900 0.0000 1 264 28 28 THR HA H 4.5800 0.0000 1 265 28 28 THR HB H 4.0610 0.0000 1 266 28 28 THR HG2 H 1.0440 0.0000 1 267 28 28 THR C C 173.1010 0.0000 1 268 28 28 THR CA C 63.9180 0.0000 1 269 28 28 THR CB C 71.8910 0.0000 1 270 28 28 THR CG2 C 21.2140 0.0000 1 271 28 28 THR N N 116.5100 0.0000 1 272 29 29 GLY H H 9.3940 0.0000 1 273 29 29 GLY HA2 H 4.3160 0.0000 1 274 29 29 GLY HA3 H 2.2490 0.0000 1 275 29 29 GLY C C 171.0190 0.0000 1 276 29 29 GLY CA C 45.6740 0.0000 1 277 29 29 GLY N N 115.5840 0.0000 1 278 30 30 ARG H H 9.1000 0.0000 1 279 30 30 ARG HA H 5.4560 0.0000 1 280 30 30 ARG HB2 H 1.7010 0.0000 1 281 30 30 ARG HB3 H 1.4610 0.0000 1 282 30 30 ARG HG3 H 1.2800 0.0000 1 283 30 30 ARG HD3 H 2.9580 0.0000 1 284 30 30 ARG C C 175.8570 0.0000 1 285 30 30 ARG CA C 54.1910 0.0000 1 286 30 30 ARG CB C 35.2420 0.0000 1 287 30 30 ARG CG C 29.1140 0.0000 1 288 30 30 ARG CD C 42.9960 0.0000 1 289 30 30 ARG N N 125.1740 0.0000 1 290 31 31 LEU H H 8.4350 0.0000 1 291 31 31 LEU HA H 5.0360 0.0000 1 292 31 31 LEU HB2 H 2.1920 0.0000 1 293 31 31 LEU HB3 H 2.0210 0.0000 1 294 31 31 LEU HG H 1.9610 0.0000 1 295 31 31 LEU HD1 H 1.0700 0.0000 1 296 31 31 LEU HD2 H 0.9000 0.0000 1 297 31 31 LEU C C 180.5680 0.0000 1 298 31 31 LEU CA C 53.3040 0.0000 1 299 31 31 LEU CB C 41.7650 0.0000 1 300 31 31 LEU CG C 27.7030 0.0000 1 301 31 31 LEU CD1 C 25.6320 0.0000 1 302 31 31 LEU CD2 C 22.8130 0.0000 1 303 31 31 LEU N N 118.4990 0.0000 1 304 32 32 THR H H 9.5520 0.0000 1 305 32 32 THR HA H 3.9470 0.0000 1 306 32 32 THR HB H 4.4370 0.0000 1 307 32 32 THR HG2 H 1.3350 0.0000 1 308 32 32 THR C C 175.5040 0.0000 1 309 32 32 THR CA C 65.1630 0.0000 1 310 32 32 THR CB C 68.7530 0.0000 1 311 32 32 THR CG2 C 22.5170 0.0000 1 312 32 32 THR N N 112.9050 0.0000 1 313 33 33 ASP H H 7.5680 0.0000 1 314 33 33 ASP HA H 4.5840 0.0000 1 315 33 33 ASP HB2 H 3.1130 0.0000 1 316 33 33 ASP HB3 H 2.6740 0.0000 1 317 33 33 ASP C C 177.0340 0.0000 1 318 33 33 ASP CA C 53.5760 0.0000 1 319 33 33 ASP CB C 39.7020 0.0000 1 320 33 33 ASP N N 118.4190 0.0000 1 321 34 34 GLY H H 8.1450 0.0000 1 322 34 34 GLY HA2 H 4.4180 0.0000 1 323 34 34 GLY HA3 H 3.7020 0.0000 1 324 34 34 GLY C C 174.6510 0.0000 1 325 34 34 GLY CA C 44.9570 0.0000 1 326 34 34 GLY N N 108.7680 0.0000 1 327 35 35 SER H H 8.4700 0.0000 1 328 35 35 SER HA H 4.2330 0.0000 1 329 35 35 SER HB3 H 3.9060 0.0000 1 330 35 35 SER C C 173.3350 0.0000 1 331 35 35 SER CA C 59.4060 0.0000 1 332 35 35 SER CB C 63.3850 0.0000 1 333 35 35 SER N N 118.8190 0.0000 1 334 36 36 LYS H H 8.6960 0.0000 1 335 36 36 LYS HA H 4.7320 0.0000 1 336 36 36 LYS HB2 H 1.7170 0.0000 1 337 36 36 LYS HB3 H 1.7170 0.0000 1 338 36 36 LYS HG2 H 1.4130 0.0000 1 339 36 36 LYS HG3 H 1.1520 0.0000 1 340 36 36 LYS HD3 H 1.6530 0.0000 1 341 36 36 LYS HE3 H 2.9000 0.0000 1 342 36 36 LYS C C 176.8530 0.0000 1 343 36 36 LYS CA C 56.0890 0.0000 1 344 36 36 LYS CB C 33.4180 0.0000 1 345 36 36 LYS CG C 24.4580 0.0000 1 346 36 36 LYS CD C 30.0570 0.0000 1 347 36 36 LYS CE C 40.9990 0.0000 1 348 36 36 LYS N N 124.8360 0.0000 1 349 37 37 PHE H H 8.2560 0.0000 1 350 37 37 PHE HA H 5.0980 0.0000 1 351 37 37 PHE HB2 H 3.2830 0.0000 1 352 37 37 PHE HB3 H 2.7040 0.0000 1 353 37 37 PHE C C 174.7320 0.0000 1 354 37 37 PHE CA C 56.3640 0.0000 1 355 37 37 PHE CB C 41.0590 0.0000 1 356 37 37 PHE N N 121.4180 0.0000 1 357 38 38 ASP H H 6.7780 0.0000 1 358 38 38 ASP HA H 4.9060 0.0000 1 359 38 38 ASP HB2 H 3.5910 0.0000 1 360 38 38 ASP HB3 H 2.4570 0.0000 1 361 38 38 ASP C C 174.9410 0.0000 1 362 38 38 ASP CA C 55.0570 0.0000 1 363 38 38 ASP CB C 43.8710 0.0000 1 364 38 38 ASP N N 118.4110 0.0000 1 365 39 39 SER H H 8.2880 0.0000 1 366 39 39 SER HA H 4.7780 0.0000 1 367 39 39 SER HB2 H 4.0460 0.0000 1 368 39 39 SER HB3 H 3.6580 0.0000 1 369 39 39 SER C C 174.6600 0.0000 1 370 39 39 SER CA C 57.1450 0.0000 1 371 39 39 SER CB C 64.5160 0.0000 1 372 39 39 SER N N 118.7560 0.0000 1 373 40 40 SER H H 7.9770 0.0000 1 374 40 40 SER HA H 4.1010 0.0000 1 375 40 40 SER HB2 H 5.0120 0.0000 1 376 40 40 SER HB3 H 3.6270 0.0000 1 377 40 40 SER C C 176.6630 0.0000 1 378 40 40 SER CA C 61.6900 0.0000 1 379 40 40 SER CB C 61.7190 0.0000 1 380 40 40 SER N N 126.0490 0.0000 1 381 41 41 VAL H H 7.2320 0.0000 1 382 41 41 VAL HA H 2.9800 0.0000 1 383 41 41 VAL HB H 1.5060 0.0000 1 384 41 41 VAL HG1 H 0.6180 0.0000 1 385 41 41 VAL HG2 H 0.4040 0.0000 1 386 41 41 VAL C C 180.4380 0.0000 1 387 41 41 VAL CA C 65.9680 0.0000 1 388 41 41 VAL CB C 31.7060 0.0000 1 389 41 41 VAL CG1 C 20.6100 0.0000 1 390 41 41 VAL CG2 C 21.5930 0.0000 1 391 41 41 VAL N N 126.9270 0.0000 1 392 42 42 ASP H H 7.3660 0.0000 1 393 42 42 ASP HA H 4.2640 0.0000 1 394 42 42 ASP HB2 H 2.5550 0.0000 1 395 42 42 ASP HB3 H 2.7800 0.0000 1 396 42 42 ASP C C 177.1790 0.0000 1 397 42 42 ASP CA C 56.6550 0.0000 1 398 42 42 ASP CB C 40.1680 0.0000 1 399 42 42 ASP N N 120.0570 0.0000 1 400 43 43 ARG H H 6.8250 0.0000 1 401 43 43 ARG HA H 4.4190 0.0000 1 402 43 43 ARG HB3 H 2.0490 0.0000 1 403 43 43 ARG HG3 H 1.7980 0.0000 1 404 43 43 ARG HD2 H 3.5250 0.0000 1 405 43 43 ARG HD3 H 3.3180 0.0000 1 406 43 43 ARG C C 175.4580 0.0000 1 407 43 43 ARG CA C 56.5930 0.0000 1 408 43 43 ARG CB C 31.5150 0.0000 1 409 43 43 ARG CG C 29.0080 0.0000 1 410 43 43 ARG CD C 43.8410 0.0000 1 411 43 43 ARG N N 114.5940 0.0000 1 412 44 44 ASN H H 8.0260 0.0000 1 413 44 44 ASN HA H 4.4280 0.0000 1 414 44 44 ASN HB2 H 3.2680 0.0000 1 415 44 44 ASN HB3 H 2.6990 0.0000 1 416 44 44 ASN C C 174.2610 0.0000 1 417 44 44 ASN CA C 54.0740 0.0000 1 418 44 44 ASN CB C 37.8420 0.0000 1 419 44 44 ASN N N 116.6660 0.0000 1 420 45 45 GLU H H 7.4920 0.0000 1 421 45 45 GLU HA H 4.9390 0.0000 1 422 45 45 GLU HB2 H 2.0000 0.0000 1 423 45 45 GLU HB3 H 1.8870 0.0000 1 424 45 45 GLU HG3 H 2.2730 0.0000 1 425 45 45 GLU C C 172.0000 0.0000 1 426 45 45 GLU CA C 53.3410 0.0000 1 427 45 45 GLU CB C 32.7540 0.0000 1 428 45 45 GLU CG C 35.7160 0.0000 1 429 45 45 GLU N N 115.4030 0.0000 1 430 46 46 PRO HA H 3.8320 0.0000 1 431 46 46 PRO HB2 H 1.3930 0.0000 1 432 46 46 PRO HB3 H 1.2010 0.0000 1 433 46 46 PRO HG2 H 1.7660 0.0000 1 434 46 46 PRO HG3 H 1.2020 0.0000 1 435 46 46 PRO HD3 H 3.5900 0.0000 1 436 46 46 PRO C C 174.4640 0.0000 1 437 46 46 PRO CA C 63.1440 0.0000 1 438 46 46 PRO CB C 31.9110 0.0000 1 439 46 46 PRO CG C 26.5570 0.0000 1 440 46 46 PRO CD C 50.4200 0.0000 1 441 47 47 PHE H H 9.0080 0.0000 1 442 47 47 PHE HA H 4.8760 0.0000 1 443 47 47 PHE HB2 H 3.2840 0.0000 1 444 47 47 PHE HB3 H 3.5350 0.0000 1 445 47 47 PHE C C 173.4520 0.0000 1 446 47 47 PHE CA C 57.3320 0.0000 1 447 47 47 PHE CB C 42.1910 0.0000 1 448 47 47 PHE N N 124.8940 0.0000 1 449 48 48 GLN H H 8.0230 0.0000 1 450 48 48 GLN HA H 5.5920 0.0000 1 451 48 48 GLN HB3 H 1.7560 0.0000 1 452 48 48 GLN HG3 H 2.1680 0.0000 1 453 48 48 GLN C C 174.4920 0.0000 1 454 48 48 GLN CA C 53.5190 0.0000 1 455 48 48 GLN CB C 31.7040 0.0000 1 456 48 48 GLN CG C 34.4900 0.0000 1 457 48 48 GLN N N 126.9680 0.0000 1 458 49 49 THR H H 8.3250 0.0000 1 459 49 49 THR HA H 4.5160 0.0000 1 460 49 49 THR HB H 3.8610 0.0000 1 461 49 49 THR HG2 H 0.9110 0.0000 1 462 49 49 THR C C 171.3950 0.0000 1 463 49 49 THR CA C 59.8660 0.0000 1 464 49 49 THR CB C 68.8970 0.0000 1 465 49 49 THR CG2 C 18.2530 0.0000 1 466 49 49 THR N N 115.6840 0.0000 1 467 50 50 GLN H H 8.4950 0.0000 1 468 50 50 GLN HA H 4.4470 0.0000 1 469 50 50 GLN HB2 H 1.6580 0.0000 1 470 50 50 GLN HB3 H 1.3130 0.0000 1 471 50 50 GLN HG2 H 1.8200 0.0000 1 472 50 50 GLN HG3 H 1.4790 0.0000 1 473 50 50 GLN C C 175.9370 0.0000 1 474 50 50 GLN CA C 56.0980 0.0000 1 475 50 50 GLN CB C 29.5600 0.0000 1 476 50 50 GLN CG C 34.4260 0.0000 1 477 50 50 GLN N N 127.3840 0.0000 1 478 51 51 ILE H H 9.2560 0.0000 1 479 51 51 ILE HA H 4.7220 0.0000 1 480 51 51 ILE HB H 1.6040 0.0000 1 481 51 51 ILE HG12 H 1.5440 0.0000 1 482 51 51 ILE HG13 H 1.1040 0.0000 1 483 51 51 ILE HG2 H 0.8640 0.0000 1 484 51 51 ILE HD1 H 0.9800 0.0000 1 485 51 51 ILE C C 173.5910 0.0000 1 486 51 51 ILE CA C 55.8110 0.0000 1 487 51 51 ILE CB C 43.1080 0.0000 1 488 51 51 ILE CG1 C 30.4320 0.0000 1 489 51 51 ILE CG2 C 20.1580 0.0000 1 490 51 51 ILE CD1 C 12.8060 0.0000 1 491 51 51 ILE N N 130.6990 0.0000 1 492 52 52 GLY H H 8.9720 0.0000 1 493 52 52 GLY HA2 H 4.0870 0.0000 1 494 52 52 GLY HA3 H 3.5900 0.0000 1 495 52 52 GLY C C 173.8920 0.0000 1 496 52 52 GLY CA C 46.1290 0.0000 1 497 52 52 GLY N N 114.3300 0.0000 1 498 53 53 THR H H 8.3640 0.0000 1 499 53 53 THR HA H 4.5900 0.0000 1 500 53 53 THR HB H 4.4850 0.0000 1 501 53 53 THR HG2 H 0.8710 0.0000 1 502 53 53 THR C C 175.3900 0.0000 1 503 53 53 THR CA C 60.2400 0.0000 1 504 53 53 THR CB C 68.8380 0.0000 1 505 53 53 THR CG2 C 21.2470 0.0000 1 506 53 53 THR N N 108.7940 0.0000 1 507 54 54 GLY H H 9.1320 0.0000 1 508 54 54 GLY HA2 H 4.1040 0.0000 1 509 54 54 GLY HA3 H 3.9480 0.0000 1 510 54 54 GLY C C 175.8400 0.0000 1 511 54 54 GLY CA C 46.1110 0.0000 1 512 54 54 GLY N N 113.5100 0.0000 1 513 55 55 ARG H H 9.2540 0.0000 1 514 55 55 ARG HA H 4.2110 0.0000 1 515 55 55 ARG HB2 H 1.7570 0.0000 1 516 55 55 ARG HB3 H 2.1030 0.0000 1 517 55 55 ARG HG3 H 1.7220 0.0000 1 518 55 55 ARG HD3 H 3.1710 0.0000 1 519 55 55 ARG C C 175.8730 0.0000 1 520 55 55 ARG CA C 56.7580 0.0000 1 521 55 55 ARG CB C 30.7450 0.0000 1 522 55 55 ARG CG C 27.0310 0.0000 1 523 55 55 ARG CD C 43.1030 0.0000 1 524 55 55 ARG N N 119.7010 0.0000 1 525 56 56 VAL H H 6.9700 0.0000 1 526 56 56 VAL HA H 4.4750 0.0000 1 527 56 56 VAL HB H 2.0540 0.0000 1 528 56 56 VAL HG1 H 0.9360 0.0000 1 529 56 56 VAL HG2 H 1.1250 0.0000 1 530 56 56 VAL C C 174.8180 0.0000 1 531 56 56 VAL CA C 57.9310 0.0000 1 532 56 56 VAL CB C 36.0960 0.0000 1 533 56 56 VAL CG1 C 19.5320 0.0000 1 534 56 56 VAL CG2 C 23.6750 0.0000 1 535 56 56 VAL N N 108.7240 0.0000 1 536 57 57 ILE H H 7.2380 0.0000 1 537 57 57 ILE HA H 3.8090 0.0000 1 538 57 57 ILE HB H 2.0140 0.0000 1 539 57 57 ILE HG12 H 0.7760 0.0000 1 540 57 57 ILE HG13 H 0.2520 0.0000 1 541 57 57 ILE HG2 H 0.0970 0.0000 1 542 57 57 ILE HD1 H 0.3900 0.0000 1 543 57 57 ILE C C 177.2830 0.0000 1 544 57 57 ILE CA C 62.0320 0.0000 1 545 57 57 ILE CB C 38.0760 0.0000 1 546 57 57 ILE CG1 C 24.6440 0.0000 1 547 57 57 ILE CG2 C 17.2720 0.0000 1 548 57 57 ILE CD1 C 14.5770 0.0000 1 549 57 57 ILE N N 110.9730 0.0000 1 550 58 58 LYS H H 8.9120 0.0000 1 551 58 58 LYS HA H 4.0480 0.0000 1 552 58 58 LYS HB2 H 1.5990 0.0000 1 553 58 58 LYS HB3 H 1.3450 0.0000 1 554 58 58 LYS HG2 H 1.2850 0.0000 1 555 58 58 LYS HG3 H 1.0040 0.0000 1 556 58 58 LYS HD2 H 1.3200 0.0000 1 557 58 58 LYS HD3 H 1.0900 0.0000 1 558 58 58 LYS HE3 H 2.6500 0.0000 1 559 58 58 LYS C C 179.5320 0.0000 1 560 58 58 LYS CA C 59.8680 0.0000 1 561 58 58 LYS CB C 32.8210 0.0000 1 562 58 58 LYS CG C 25.0130 0.0000 1 563 58 58 LYS CD C 29.2090 0.0000 1 564 58 58 LYS CE C 41.6400 0.0000 1 565 58 58 LYS N N 126.2200 0.0000 1 566 59 59 GLY H H 9.6780 0.0000 1 567 59 59 GLY HA2 H 3.9870 0.0000 1 568 59 59 GLY HA3 H 3.7470 0.0000 1 569 59 59 GLY C C 176.0890 0.0000 1 570 59 59 GLY CA C 47.5820 0.0000 1 571 59 59 GLY N N 101.4930 0.0000 1 572 60 60 TRP H H 7.6440 0.0000 1 573 60 60 TRP HA H 4.5640 0.0000 1 574 60 60 TRP HB2 H 3.2770 0.0000 1 575 60 60 TRP HB3 H 2.8040 0.0000 1 576 60 60 TRP C C 177.3560 0.0000 1 577 60 60 TRP CA C 59.0930 0.0000 1 578 60 60 TRP CB C 29.0930 0.0000 1 579 60 60 TRP N N 119.5290 0.0000 1 580 61 61 ASP H H 7.6850 0.0000 1 581 61 61 ASP HA H 4.5600 0.0000 1 582 61 61 ASP HB2 H 2.7440 0.0000 1 583 61 61 ASP HB3 H 2.6490 0.0000 1 584 61 61 ASP C C 177.4300 0.0000 1 585 61 61 ASP CA C 58.0090 0.0000 1 586 61 61 ASP CB C 40.4310 0.0000 1 587 61 61 ASP N N 121.8130 0.0000 1 588 62 62 GLU H H 8.2420 0.0000 1 589 62 62 GLU HA H 4.4730 0.0000 1 590 62 62 GLU HB2 H 2.1820 0.0000 1 591 62 62 GLU HB3 H 1.8620 0.0000 1 592 62 62 GLU HG3 H 2.2670 0.0000 1 593 62 62 GLU C C 178.9260 0.0000 1 594 62 62 GLU CA C 56.6310 0.0000 1 595 62 62 GLU CB C 30.7500 0.0000 1 596 62 62 GLU CG C 36.4270 0.0000 1 597 62 62 GLU N N 111.7320 0.0000 1 598 63 63 GLY H H 7.8340 0.0000 1 599 63 63 GLY HA2 H 3.9960 0.0000 1 600 63 63 GLY HA3 H 3.7260 0.0000 1 601 63 63 GLY C C 174.0580 0.0000 1 602 63 63 GLY CA C 46.7270 0.0000 1 603 63 63 GLY N N 108.8540 0.0000 1 604 64 64 VAL H H 8.7250 0.0000 1 605 64 64 VAL HA H 3.7660 0.0000 1 606 64 64 VAL HB H 2.2310 0.0000 1 607 64 64 VAL HG1 H 0.8380 0.0000 1 608 64 64 VAL HG2 H 0.6220 0.0000 1 609 64 64 VAL C C 175.5000 0.0000 1 610 64 64 VAL CA C 68.1070 0.0000 1 611 64 64 VAL CB C 29.0690 0.0000 1 612 64 64 VAL CG1 C 22.1310 0.0000 1 613 64 64 VAL CG2 C 22.8250 0.0000 1 614 64 64 VAL N N 121.5870 0.0000 1 615 65 65 PRO HA H 4.3630 0.0000 1 616 65 65 PRO HB3 H 2.0620 0.0000 1 617 65 65 PRO HG2 H 2.0270 0.0000 1 618 65 65 PRO HG3 H 1.6150 0.0000 1 619 65 65 PRO C C 175.1570 0.0000 1 620 65 65 PRO CA C 65.6440 0.0000 1 621 65 65 PRO CB C 31.1170 0.0000 1 622 65 65 PRO CG C 27.3900 0.0000 1 623 66 66 GLN H H 6.9620 0.0000 1 624 66 66 GLN HA H 4.2990 0.0000 1 625 66 66 GLN HB2 H 2.4200 0.0000 1 626 66 66 GLN HB3 H 2.0390 0.0000 1 627 66 66 GLN HG2 H 2.5470 0.0000 1 628 66 66 GLN HG3 H 2.3400 0.0000 1 629 66 66 GLN C C 176.5420 0.0000 1 630 66 66 GLN CA C 55.8880 0.0000 1 631 66 66 GLN CB C 29.4040 0.0000 1 632 66 66 GLN CG C 34.4200 0.0000 1 633 66 66 GLN N N 110.6860 0.0000 1 634 67 67 MET H H 8.2880 0.0000 1 635 67 67 MET HA H 4.4660 0.0000 1 636 67 67 MET HB2 H 2.2380 0.0000 1 637 67 67 MET HB3 H 1.8810 0.0000 1 638 67 67 MET HG2 H 2.4680 0.0000 1 639 67 67 MET HG3 H 2.2660 0.0000 1 640 67 67 MET C C 172.6010 0.0000 1 641 67 67 MET CA C 55.4790 0.0000 1 642 67 67 MET CB C 35.2300 0.0000 1 643 67 67 MET CG C 31.9220 0.0000 1 644 67 67 MET N N 122.4110 0.0000 1 645 68 68 SER H H 7.5700 0.0000 1 646 68 68 SER HA H 4.6900 0.0000 1 647 68 68 SER HB2 H 2.7610 0.0000 1 648 68 68 SER HB3 H 3.1700 0.0000 1 649 68 68 SER C C 175.4900 0.0000 1 650 68 68 SER CA C 55.7440 0.0000 1 651 68 68 SER CB C 65.6290 0.0000 1 652 68 68 SER N N 111.0120 0.0000 1 653 69 69 LEU H H 7.9860 0.0000 1 654 69 69 LEU HA H 3.5450 0.0000 1 655 69 69 LEU HB2 H 2.0110 0.0000 1 656 69 69 LEU HB3 H 1.1320 0.0000 1 657 69 69 LEU HG H 1.3040 0.0000 1 658 69 69 LEU HD1 H 0.6710 0.0000 1 659 69 69 LEU HD2 H 0.6300 0.0000 1 660 69 69 LEU C C 176.3550 0.0000 1 661 69 69 LEU CA C 57.8030 0.0000 1 662 69 69 LEU CB C 43.0440 0.0000 1 663 69 69 LEU CG C 26.3630 0.0000 1 664 69 69 LEU CD1 C 26.6370 0.0000 1 665 69 69 LEU CD2 C 23.5420 0.0000 1 666 69 69 LEU N N 120.3680 0.0000 1 667 70 70 GLY H H 8.7460 0.0000 1 668 70 70 GLY HA2 H 4.4460 0.0000 1 669 70 70 GLY HA3 H 3.6900 0.0000 1 670 70 70 GLY C C 174.1540 0.0000 1 671 70 70 GLY CA C 44.8200 0.0000 1 672 70 70 GLY N N 117.6130 0.0000 1 673 71 71 GLU H H 8.7150 0.0000 1 674 71 71 GLU HA H 4.0840 0.0000 1 675 71 71 GLU HB2 H 2.2930 0.0000 1 676 71 71 GLU HB3 H 2.0650 0.0000 1 677 71 71 GLU HG2 H 2.7010 0.0000 1 678 71 71 GLU HG3 H 1.9730 0.0000 1 679 71 71 GLU C C 174.8000 0.0000 1 680 71 71 GLU CA C 56.9640 0.0000 1 681 71 71 GLU CB C 32.7610 0.0000 1 682 71 71 GLU CG C 37.4840 0.0000 1 683 71 71 GLU N N 124.4330 0.0000 1 684 72 72 LYS H H 8.0000 0.0000 1 685 72 72 LYS HA H 5.4300 0.0000 1 686 72 72 LYS HB2 H 1.8710 0.0000 1 687 72 72 LYS HB3 H 1.6360 0.0000 1 688 72 72 LYS HG2 H 1.4600 0.0000 1 689 72 72 LYS HG3 H 1.1890 0.0000 1 690 72 72 LYS HD3 H 1.5800 0.0000 1 691 72 72 LYS HE2 H 2.8600 0.0000 1 692 72 72 LYS C C 175.6590 0.0000 1 693 72 72 LYS CA C 54.9790 0.0000 1 694 72 72 LYS CB C 34.8230 0.0000 1 695 72 72 LYS CG C 25.8850 0.0000 1 696 72 72 LYS CD C 29.5860 0.0000 1 697 72 72 LYS CE C 41.9800 0.0000 1 698 72 72 LYS N N 122.1000 0.0000 1 699 73 73 ALA H H 9.5860 0.0000 1 700 73 73 ALA HA H 5.1670 0.0000 1 701 73 73 ALA HB H 1.5540 0.0000 1 702 73 73 ALA C C 175.2300 0.0000 1 703 73 73 ALA CA C 51.0410 0.0000 1 704 73 73 ALA CB C 24.2060 0.0000 1 705 73 73 ALA N N 127.2840 0.0000 1 706 74 74 VAL H H 9.0250 0.0000 1 707 74 74 VAL HA H 5.2580 0.0000 1 708 74 74 VAL HB H 1.9720 0.0000 1 709 74 74 VAL HG2 H 0.9510 0.0000 1 710 74 74 VAL C C 176.9560 0.0000 1 711 74 74 VAL CA C 61.0870 0.0000 1 712 74 74 VAL CB C 34.3870 0.0000 1 713 74 74 VAL CG2 C 22.1920 0.0000 1 714 74 74 VAL N N 119.9320 0.0000 1 715 75 75 LEU H H 9.9960 0.0000 1 716 75 75 LEU HA H 5.4440 0.0000 1 717 75 75 LEU HB2 H 1.9270 0.0000 1 718 75 75 LEU HB3 H 1.3420 0.0000 1 719 75 75 LEU HG H 1.6060 0.0000 1 720 75 75 LEU HD1 H 0.6800 0.0000 1 721 75 75 LEU HD2 H 0.6700 0.0000 1 722 75 75 LEU C C 175.6730 0.0000 1 723 75 75 LEU CA C 53.2180 0.0000 1 724 75 75 LEU CB C 44.3020 0.0000 1 725 75 75 LEU CG C 27.5700 0.0000 1 726 75 75 LEU CD1 C 25.5010 0.0000 1 727 75 75 LEU CD2 C 23.3530 0.0000 1 728 75 75 LEU N N 129.6700 0.0000 1 729 76 76 THR H H 8.9680 0.0000 1 730 76 76 THR HA H 5.0530 0.0000 1 731 76 76 THR HB H 4.0270 0.0000 1 732 76 76 THR HG2 H 1.0420 0.0000 1 733 76 76 THR C C 174.9570 0.0000 1 734 76 76 THR CA C 63.5290 0.0000 1 735 76 76 THR CB C 68.7160 0.0000 1 736 76 76 THR CG2 C 20.8260 0.0000 1 737 76 76 THR N N 121.9380 0.0000 1 738 77 77 ILE H H 9.8030 0.0000 1 739 77 77 ILE HA H 5.0710 0.0000 1 740 77 77 ILE HB H 1.9890 0.0000 1 741 77 77 ILE HG12 H 1.8150 0.0000 1 742 77 77 ILE HG13 H 1.1370 0.0000 1 743 77 77 ILE HG2 H 1.0650 0.0000 1 744 77 77 ILE HD1 H 1.0300 0.0000 1 745 77 77 ILE C C 174.9200 0.0000 1 746 77 77 ILE CA C 60.3280 0.0000 1 747 77 77 ILE CB C 41.9750 0.0000 1 748 77 77 ILE CG1 C 28.6830 0.0000 1 749 77 77 ILE CG2 C 18.5430 0.0000 1 750 77 77 ILE CD1 C 15.1950 0.0000 1 751 77 77 ILE N N 130.9930 0.0000 1 752 78 78 THR H H 8.5540 0.0000 1 753 78 78 THR HA H 4.6300 0.0000 1 754 78 78 THR HB H 4.6720 0.0000 1 755 78 78 THR HG2 H 1.3250 0.0000 1 756 78 78 THR C C 174.6000 0.0000 1 757 78 78 THR CA C 61.1000 0.0000 1 758 78 78 THR CB C 67.6190 0.0000 1 759 78 78 THR CG2 C 22.7440 0.0000 1 760 78 78 THR N N 118.4010 0.0000 1 761 79 79 PRO HA H 4.4350 0.0000 1 762 79 79 PRO HB3 H 2.0340 0.0000 1 763 79 79 PRO HG2 H 2.0240 0.0000 1 764 79 79 PRO HG3 H 1.6120 0.0000 1 765 79 79 PRO C C 180.0110 0.0000 1 766 79 79 PRO CA C 66.1150 0.0000 1 767 79 79 PRO CB C 31.1050 0.0000 1 768 79 79 PRO CG C 27.5960 0.0000 1 769 80 80 ASP H H 8.8220 0.0000 1 770 80 80 ASP HA H 4.4230 0.0000 1 771 80 80 ASP HB3 H 2.6620 0.0000 1 772 80 80 ASP C C 176.8090 0.0000 1 773 80 80 ASP CA C 56.2890 0.0000 1 774 80 80 ASP CB C 39.3720 0.0000 1 775 80 80 ASP N N 115.6030 0.0000 1 776 81 81 TYR H H 8.0820 0.0000 1 777 81 81 TYR HA H 4.4990 0.0000 1 778 81 81 TYR HB2 H 3.0630 0.0000 1 779 81 81 TYR HB3 H 2.7450 0.0000 1 780 81 81 TYR C C 173.5730 0.0000 1 781 81 81 TYR CA C 57.5660 0.0000 1 782 81 81 TYR CB C 39.1140 0.0000 1 783 81 81 TYR N N 121.2950 0.0000 1 784 82 82 GLY H H 7.7550 0.0000 1 785 82 82 GLY HA2 H 4.1780 0.0000 1 786 82 82 GLY HA3 H 3.2730 0.0000 1 787 82 82 GLY C C 173.3390 0.0000 1 788 82 82 GLY CA C 45.3770 0.0000 1 789 82 82 GLY N N 111.0410 0.0000 1 790 83 83 TYR H H 9.5850 0.0000 1 791 83 83 TYR HA H 4.5650 0.0000 1 792 83 83 TYR HB2 H 3.3330 0.0000 1 793 83 83 TYR HB3 H 2.4360 0.0000 1 794 83 83 TYR C C 176.6180 0.0000 1 795 83 83 TYR CA C 58.7800 0.0000 1 796 83 83 TYR CB C 38.4900 0.0000 1 797 83 83 TYR N N 126.2760 0.0000 1 798 84 84 GLY H H 8.5770 0.0000 1 799 84 84 GLY HA2 H 4.0470 0.0000 1 800 84 84 GLY HA3 H 3.7820 0.0000 1 801 84 84 GLY C C 175.6000 0.0000 1 802 84 84 GLY CA C 46.4370 0.0000 1 803 84 84 GLY N N 107.6800 0.0000 1 804 85 85 ALA H H 9.0000 0.0000 1 805 85 85 ALA HA H 4.1120 0.0000 1 806 85 85 ALA HB H 1.4750 0.0000 1 807 85 85 ALA C C 178.7630 0.0000 1 808 85 85 ALA CA C 54.9700 0.0000 1 809 85 85 ALA CB C 18.8710 0.0000 1 810 85 85 ALA N N 128.3100 0.0000 1 811 86 86 ARG H H 8.5360 0.0000 1 812 86 86 ARG HA H 4.1700 0.0000 1 813 86 86 ARG HB3 H 1.9790 0.0000 1 814 86 86 ARG HG3 H 1.7520 0.0000 1 815 86 86 ARG HD3 H 3.2420 0.0000 1 816 86 86 ARG C C 178.8550 0.0000 1 817 86 86 ARG CA C 57.7030 0.0000 1 818 86 86 ARG CB C 30.7290 0.0000 1 819 86 86 ARG CG C 27.5740 0.0000 1 820 86 86 ARG CD C 43.3320 0.0000 1 821 86 86 ARG N N 115.6000 0.0000 1 822 87 87 GLY H H 7.2320 0.0000 1 823 87 87 GLY HA2 H 3.7400 0.0000 1 824 87 87 GLY HA3 H 3.3630 0.0000 1 825 87 87 GLY C C 171.4420 0.0000 1 826 87 87 GLY CA C 44.3610 0.0000 1 827 87 87 GLY N N 102.7600 0.0000 1 828 88 88 PHE H H 8.7770 0.0000 1 829 88 88 PHE HA H 4.7730 0.0000 1 830 88 88 PHE HB2 H 2.5900 0.0000 1 831 88 88 PHE HB3 H 1.6860 0.0000 1 832 88 88 PHE C C 171.6000 0.0000 1 833 88 88 PHE CA C 54.4280 0.0000 1 834 88 88 PHE CB C 39.2260 0.0000 1 835 88 88 PHE N N 120.5720 0.0000 1 836 90 90 PRO HA H 4.5910 0.0000 1 837 90 90 PRO HB3 H 2.1940 0.0000 1 838 90 90 PRO HG2 H 1.9870 0.0000 1 839 90 90 PRO HG3 H 1.7350 0.0000 1 840 90 90 PRO HD3 H 3.5300 0.0000 1 841 90 90 PRO C C 176.6440 0.0000 1 842 90 90 PRO CA C 64.0270 0.0000 1 843 90 90 PRO CB C 33.2230 0.0000 1 844 90 90 PRO CG C 24.2270 0.0000 1 845 90 90 PRO CD C 49.6020 0.0000 1 846 91 91 VAL H H 7.7480 0.0000 1 847 91 91 VAL HA H 4.0230 0.0000 1 848 91 91 VAL HB H 2.1940 0.0000 1 849 91 91 VAL HG1 H 1.0370 0.0000 1 850 91 91 VAL HG2 H 1.0900 0.0000 1 851 91 91 VAL C C 175.2500 0.0000 1 852 91 91 VAL CA C 64.8430 0.0000 1 853 91 91 VAL CB C 33.2230 0.0000 1 854 91 91 VAL CG1 C 20.9570 0.0000 1 855 91 91 VAL CG2 C 22.1820 0.0000 1 856 91 91 VAL N N 120.3580 0.0000 1 857 92 92 ILE H H 7.5210 0.0000 1 858 92 92 ILE HA H 4.4400 0.0000 1 859 92 92 ILE HB H 1.4500 0.0000 1 860 92 92 ILE HG12 H 1.1540 0.0000 1 861 92 92 ILE HG13 H 0.1460 0.0000 1 862 92 92 ILE HG2 H 0.7200 0.0000 1 863 92 92 ILE HD1 H 0.0300 0.0000 1 864 92 92 ILE C C 174.8000 0.0000 1 865 92 92 ILE CA C 58.1200 0.0000 1 866 92 92 ILE CB C 39.5430 0.0000 1 867 92 92 ILE CG1 C 27.0020 0.0000 1 868 92 92 ILE CG2 C 17.0830 0.0000 1 869 92 92 ILE CD1 C 13.3870 0.0000 1 870 92 92 ILE N N 118.1860 0.0000 1 871 93 93 PRO HA H 4.4940 0.0000 1 872 93 93 PRO HB2 H 1.7900 0.0000 1 873 93 93 PRO HB3 H 2.4020 0.0000 1 874 93 93 PRO HG3 H 1.9330 0.0000 1 875 93 93 PRO HD2 H 4.0510 0.0000 1 876 93 93 PRO HD3 H 3.5500 0.0000 1 877 93 93 PRO C C 178.6980 0.0000 1 878 93 93 PRO CA C 61.9570 0.0000 1 879 93 93 PRO CB C 32.7760 0.0000 1 880 93 93 PRO CG C 26.8360 0.0000 1 881 93 93 PRO CD C 51.9880 0.0000 1 882 94 94 GLY H H 9.1280 0.0000 1 883 94 94 GLY HA2 H 3.3980 0.0000 1 884 94 94 GLY HA3 H 3.7250 0.0000 1 885 94 94 GLY C C 172.5780 0.0000 1 886 94 94 GLY CA C 46.5200 0.0000 1 887 94 94 GLY N N 111.9430 0.0000 1 888 95 95 ASN H H 8.4370 0.0000 1 889 95 95 ASN HA H 4.0630 0.0000 1 890 95 95 ASN HB2 H 3.1240 0.0000 1 891 95 95 ASN HB3 H 2.7080 0.0000 1 892 95 95 ASN C C 174.6140 0.0000 1 893 95 95 ASN CA C 54.5450 0.0000 1 894 95 95 ASN CB C 37.5240 0.0000 1 895 95 95 ASN N N 117.4610 0.0000 1 896 96 96 SER H H 7.9700 0.0000 1 897 96 96 SER HA H 4.6300 0.0000 1 898 96 96 SER HB3 H 3.5200 0.0000 1 899 96 96 SER C C 173.9250 0.0000 1 900 96 96 SER CA C 59.8990 0.0000 1 901 96 96 SER CB C 64.0850 0.0000 1 902 96 96 SER N N 113.1240 0.0000 1 903 97 97 THR H H 8.6590 0.0000 1 904 97 97 THR HA H 4.6350 0.0000 1 905 97 97 THR HB H 3.9940 0.0000 1 906 97 97 THR HG2 H 1.0660 0.0000 1 907 97 97 THR C C 173.2200 0.0000 1 908 97 97 THR CA C 64.0010 0.0000 1 909 97 97 THR CB C 69.2930 0.0000 1 910 97 97 THR CG2 C 20.9280 0.0000 1 911 97 97 THR N N 125.7100 0.0000 1 912 98 98 LEU H H 9.1760 0.0000 1 913 98 98 LEU HA H 5.0000 0.0000 1 914 98 98 LEU HB2 H 1.9210 0.0000 1 915 98 98 LEU HB3 H 1.4070 0.0000 1 916 98 98 LEU HG H 1.1150 0.0000 1 917 98 98 LEU HD1 H 0.6680 0.0000 1 918 98 98 LEU C C 174.9970 0.0000 1 919 98 98 LEU CA C 53.1620 0.0000 1 920 98 98 LEU CB C 45.9430 0.0000 1 921 98 98 LEU CG C 26.5730 0.0000 1 922 98 98 LEU CD1 C 22.6810 0.0000 1 923 98 98 LEU N N 125.7000 0.0000 1 924 99 99 ILE H H 8.8870 0.0000 1 925 99 99 ILE HA H 5.1130 0.0000 1 926 99 99 ILE HB H 1.6740 0.0000 1 927 99 99 ILE HG12 H 1.3560 0.0000 1 928 99 99 ILE HG13 H 1.1430 0.0000 1 929 99 99 ILE HG2 H 0.7790 0.0000 1 930 99 99 ILE HD1 H 0.7800 0.0000 1 931 99 99 ILE C C 176.6790 0.0000 1 932 99 99 ILE CA C 60.3580 0.0000 1 933 99 99 ILE CB C 39.4950 0.0000 1 934 99 99 ILE CG1 C 27.7750 0.0000 1 935 99 99 ILE CG2 C 18.8490 0.0000 1 936 99 99 ILE CD1 C 14.1970 0.0000 1 937 99 99 ILE N N 122.4910 0.0000 1 938 100 100 PHE H H 9.7870 0.0000 1 939 100 100 PHE HA H 6.0120 0.0000 1 940 100 100 PHE HB3 H 2.9360 0.0000 1 941 100 100 PHE C C 175.8000 0.0000 1 942 100 100 PHE CA C 55.8180 0.0000 1 943 100 100 PHE CB C 43.0040 0.0000 1 944 100 100 PHE N N 123.7120 0.0000 1 945 101 101 GLU H H 9.1000 0.0000 1 946 101 101 GLU HA H 4.9380 0.0000 1 947 101 101 GLU HB3 H 2.1130 0.0000 1 948 101 101 GLU HG3 H 2.2990 0.0000 1 949 101 101 GLU C C 176.2590 0.0000 1 950 101 101 GLU CA C 56.3110 0.0000 1 951 101 101 GLU CB C 30.9460 0.0000 1 952 101 101 GLU CG C 36.5280 0.0000 1 953 101 101 GLU N N 125.3000 0.0000 1 954 102 102 VAL H H 9.2210 0.0000 1 955 102 102 VAL HA H 5.0270 0.0000 1 956 102 102 VAL HB H 1.6520 0.0000 1 957 102 102 VAL HG2 H 0.6390 0.0000 1 958 102 102 VAL C C 172.9620 0.0000 1 959 102 102 VAL CA C 61.1010 0.0000 1 960 102 102 VAL CB C 35.7800 0.0000 1 961 102 102 VAL CG2 C 21.7840 0.0000 1 962 102 102 VAL N N 123.2970 0.0000 1 963 103 103 GLU H H 9.0750 0.0000 1 964 103 103 GLU HA H 5.3930 0.0000 1 965 103 103 GLU HB2 H 1.7990 0.0000 1 966 103 103 GLU HB3 H 2.0370 0.0000 1 967 103 103 GLU HG2 H 1.9660 0.0000 1 968 103 103 GLU HG3 H 1.8390 0.0000 1 969 103 103 GLU C C 175.5000 0.0000 1 970 103 103 GLU CA C 54.0200 0.0000 1 971 103 103 GLU CB C 33.1580 0.0000 1 972 103 103 GLU CG C 35.7630 0.0000 1 973 103 103 GLU N N 127.6560 0.0000 1 974 104 104 LEU H H 8.5360 0.0000 1 975 104 104 LEU HA H 4.6960 0.0000 1 976 104 104 LEU HB2 H 1.1050 0.0000 1 977 104 104 LEU HB3 H 2.2410 0.0000 1 978 104 104 LEU HG H 1.3430 0.0000 1 979 104 104 LEU HD1 H 0.6500 0.0000 1 980 104 104 LEU HD2 H 0.8800 0.0000 1 981 104 104 LEU C C 174.2950 0.0000 1 982 104 104 LEU CA C 54.6310 0.0000 1 983 104 104 LEU CB C 41.3190 0.0000 1 984 104 104 LEU CG C 28.4400 0.0000 1 985 104 104 LEU CD1 C 27.0280 0.0000 1 986 104 104 LEU CD2 C 24.1160 0.0000 1 987 104 104 LEU N N 128.2440 0.0000 1 988 105 105 LEU H H 8.4060 0.0000 1 989 105 105 LEU HA H 4.3590 0.0000 1 990 105 105 LEU HB2 H 1.4980 0.0000 1 991 105 105 LEU HB3 H 1.2550 0.0000 1 992 105 105 LEU HG H 1.5530 0.0000 1 993 105 105 LEU HD1 H 0.6870 0.0000 1 994 105 105 LEU HD2 H 0.8000 0.0000 1 995 105 105 LEU C C 177.5550 0.0000 1 996 105 105 LEU CA C 55.8730 0.0000 1 997 105 105 LEU CB C 44.0880 0.0000 1 998 105 105 LEU CG C 27.1540 0.0000 1 999 105 105 LEU CD1 C 26.6510 0.0000 1 1000 105 105 LEU CD2 C 22.7890 0.0000 1 1001 105 105 LEU N N 128.3700 0.0000 1 1002 106 106 GLY H H 7.8420 0.0000 1 1003 106 106 GLY HA2 H 4.9740 0.0000 1 1004 106 106 GLY HA3 H 3.5740 0.0000 1 1005 106 106 GLY C C 171.8390 0.0000 1 1006 106 106 GLY CA C 46.2590 0.0000 1 1007 106 106 GLY N N 105.4810 0.0000 1 1008 107 107 ILE H H 7.9900 0.0000 1 1009 107 107 ILE HA H 4.4530 0.0000 1 1010 107 107 ILE HB H 1.4630 0.0000 1 1011 107 107 ILE HG12 H 1.5000 0.0000 1 1012 107 107 ILE HG13 H 0.7390 0.0000 1 1013 107 107 ILE HG2 H 0.8390 0.0000 1 1014 107 107 ILE HD1 H 0.5700 0.0000 1 1015 107 107 ILE C C 175.6000 0.0000 1 1016 107 107 ILE CA C 61.2400 0.0000 1 1017 107 107 ILE CB C 41.9560 0.0000 1 1018 107 107 ILE CG1 C 27.6750 0.0000 1 1019 107 107 ILE CG2 C 18.3540 0.0000 1 1020 107 107 ILE CD1 C 14.9840 0.0000 1 1021 107 107 ILE N N 120.4000 0.0000 1 1022 108 108 ASN H H 10.0200 0.0000 1 1023 108 108 ASN HA H 4.3750 0.0000 1 1024 108 108 ASN HB2 H 3.2040 0.0000 1 1025 108 108 ASN HB3 H 2.9060 0.0000 1 1026 108 108 ASN C C 174.9000 0.0000 1 1027 108 108 ASN CA C 55.6810 0.0000 1 1028 108 108 ASN CB C 36.8360 0.0000 1 1029 108 108 ASN N N 127.4000 0.0000 1 1030 109 109 ASN H H 8.5200 0.0000 1 1031 109 109 ASN HA H 4.7420 0.0000 1 1032 109 109 ASN HB3 H 2.9050 0.0000 1 1033 109 109 ASN C C 174.5670 0.0000 1 1034 109 109 ASN CA C 53.9100 0.0000 1 1035 109 109 ASN CB C 38.3650 0.0000 1 1036 109 109 ASN N N 120.3000 0.0000 1 1037 110 110 LYS H H 8.4970 0.0000 1 1038 110 110 LYS HA H 4.3860 0.0000 1 1039 110 110 LYS HB3 H 1.7880 0.0000 1 1040 110 110 LYS HG2 H 1.4660 0.0000 1 1041 110 110 LYS HG3 H 1.3040 0.0000 1 1042 110 110 LYS HD3 H 1.5070 0.0000 1 1043 110 110 LYS HE3 H 2.9300 0.0000 1 1044 110 110 LYS C C 176.0780 0.0000 1 1045 110 110 LYS CA C 56.7320 0.0000 1 1046 110 110 LYS CB C 34.0580 0.0000 1 1047 110 110 LYS CG C 25.5990 0.0000 1 1048 110 110 LYS CD C 29.5960 0.0000 1 1049 110 110 LYS CE C 42.0360 0.0000 1 1050 110 110 LYS N N 122.8980 0.0000 1 1051 111 111 ARG H H 8.5770 0.0000 1 1052 111 111 ARG HA H 4.9780 0.0000 1 1053 111 111 ARG HB2 H 1.9360 0.0000 1 1054 111 111 ARG HB3 H 1.7130 0.0000 1 1055 111 111 ARG HG3 H 1.5790 0.0000 1 1056 111 111 ARG HD3 H 3.1670 0.0000 1 1057 111 111 ARG C C 175.3220 0.0000 1 1058 111 111 ARG CA C 54.0820 0.0000 1 1059 111 111 ARG CB C 32.5840 0.0000 1 1060 111 111 ARG CG C 26.7830 0.0000 1 1061 111 111 ARG CD C 42.9010 0.0000 1 1062 111 111 ARG N N 125.0070 0.0000 1 1063 112 112 ALA H H 8.0110 0.0000 1 1064 112 112 ALA HA H 3.9090 0.0000 1 1065 112 112 ALA HB H 1.3260 0.0000 1 1066 112 112 ALA C C 170.3000 0.0000 1 1067 112 112 ALA CA C 54.1250 0.0000 1 1068 112 112 ALA CB C 19.2660 0.0000 1 1069 112 112 ALA N N 130.2700 0.0000 1 stop_ save_